smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164391934 718827476 /nfs/dbraw/zinc/82/74/76/718827476.db2.gz YFTZLWQNIZRVFC-UHFFFAOYSA-N 1 1 378.476 2.363 20 0 GEADMO O=C1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164391934 718827478 /nfs/dbraw/zinc/82/74/78/718827478.db2.gz YFTZLWQNIZRVFC-UHFFFAOYSA-N 1 1 378.476 2.363 20 0 GEADMO c1ccc(CN2CCc3nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)ccc3C2)cc1 ZINC001164402648 718862246 /nfs/dbraw/zinc/86/22/46/718862246.db2.gz KESYTGDUIBTBNA-IFMALSPDSA-N 1 1 378.520 2.455 20 0 GEADMO CN1CCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164620371 719057502 /nfs/dbraw/zinc/05/75/02/719057502.db2.gz GJYDIKHTUGTKJX-SFTDATJTSA-N 1 1 392.551 2.329 20 0 GEADMO CN1CCN(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164620371 719057509 /nfs/dbraw/zinc/05/75/09/719057509.db2.gz GJYDIKHTUGTKJX-SFTDATJTSA-N 1 1 392.551 2.329 20 0 GEADMO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2N1C ZINC001164628918 719079983 /nfs/dbraw/zinc/07/99/83/719079983.db2.gz USGQEQBFWIVQFN-HHXXYDBFSA-N 1 1 392.507 2.354 20 0 GEADMO COC(=O)c1ncnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1OC ZINC001164622316 719112331 /nfs/dbraw/zinc/11/23/31/719112331.db2.gz BSDBYLUZWNJBFW-DLBZAZTESA-N 1 1 382.464 2.373 20 0 GEADMO COC(=O)c1ncnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1OC ZINC001164622326 719113495 /nfs/dbraw/zinc/11/34/95/719113495.db2.gz BSDBYLUZWNJBFW-IRXDYDNUSA-N 1 1 382.464 2.373 20 0 GEADMO C[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001164664295 719382989 /nfs/dbraw/zinc/38/29/89/719382989.db2.gz AWLIRIJSJJLWJN-ROUUACIJSA-N 1 1 385.899 2.165 20 0 GEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164681723 719709719 /nfs/dbraw/zinc/70/97/19/719709719.db2.gz ABCGMGUFQCUITH-UHFFFAOYSA-N 1 1 393.919 2.076 20 0 GEADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(C)nc(Cl)n1)CC2 ZINC001164684134 719710625 /nfs/dbraw/zinc/71/06/25/719710625.db2.gz NECCSARMMQVAPO-UHFFFAOYSA-N 1 1 387.862 2.164 20 0 GEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164690707 719758491 /nfs/dbraw/zinc/75/84/91/719758491.db2.gz HIOMCLQYRRESDS-UHFFFAOYSA-N 1 1 383.496 2.128 20 0 GEADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2[nH]ccc21 ZINC001164707251 719845070 /nfs/dbraw/zinc/84/50/70/719845070.db2.gz ZUHCJVNDKWOZIH-BFUOFWGJSA-N 1 1 392.887 2.449 20 0 GEADMO Cc1nc(N(C)C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696270 719894051 /nfs/dbraw/zinc/89/40/51/719894051.db2.gz FENLQTSXRQVXEB-UHFFFAOYSA-N 1 1 388.541 2.179 20 0 GEADMO Cc1nc(N(C)C)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696270 719894056 /nfs/dbraw/zinc/89/40/56/719894056.db2.gz FENLQTSXRQVXEB-UHFFFAOYSA-N 1 1 388.541 2.179 20 0 GEADMO c1csc(CN2CCOC3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2)c1 ZINC001164707059 719910042 /nfs/dbraw/zinc/91/00/42/719910042.db2.gz MTLPACUKWAAGLV-UHFFFAOYSA-N 1 1 385.537 2.096 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc(N(C)C)n1)C2 ZINC001164810992 720069215 /nfs/dbraw/zinc/06/92/15/720069215.db2.gz MRCJUTBOCKGMAQ-KXBFYZLASA-N 1 1 379.936 2.381 20 0 GEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(=O)n(C)c3n1)C2 ZINC001164816186 720120500 /nfs/dbraw/zinc/12/05/00/720120500.db2.gz YHMNQHPYUCSJKF-GCJKJVERSA-N 1 1 382.508 2.118 20 0 GEADMO CNC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)ccc1Cl ZINC001164809068 720135682 /nfs/dbraw/zinc/13/56/82/720135682.db2.gz GOMQQMXEIKCNSP-YWZLYKJASA-N 1 1 392.931 2.279 20 0 GEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3c1CNC3=O)C2 ZINC001164808760 720136216 /nfs/dbraw/zinc/13/62/16/720136216.db2.gz GGGOQDVKCQJZQX-VLIAUNLRSA-N 1 1 390.915 2.163 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-n3cnc(C)c3)nn1)C2 ZINC001164808076 720144379 /nfs/dbraw/zinc/14/43/79/720144379.db2.gz DLFWXAHBNYZJOS-GHTZIAJQSA-N 1 1 382.512 2.155 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164814597 720201818 /nfs/dbraw/zinc/20/18/18/720201818.db2.gz VBHUZACIMXWLRR-JCGIZDLHSA-N 1 1 384.883 2.442 20 0 GEADMO Cc1c[nH]c2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164813512 720209205 /nfs/dbraw/zinc/20/92/05/720209205.db2.gz QLFQCLPPVSUIQR-UHFFFAOYSA-N 1 1 381.484 2.074 20 0 GEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(C)ccc4n3)C2)C1 ZINC001164718420 720211543 /nfs/dbraw/zinc/21/15/43/720211543.db2.gz LKBRRAZMDUOVIE-JOCHJYFZSA-N 1 1 382.508 2.208 20 0 GEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(C)ccc4n3)C2)C1 ZINC001164718420 720211545 /nfs/dbraw/zinc/21/15/45/720211545.db2.gz LKBRRAZMDUOVIE-JOCHJYFZSA-N 1 1 382.508 2.208 20 0 GEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccccc4n3)C2)C1 ZINC001164719387 720243328 /nfs/dbraw/zinc/24/33/28/720243328.db2.gz LVRFDGLYVZCAKX-QFIPXVFZSA-N 1 1 382.508 2.208 20 0 GEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccccc4n3)C2)C1 ZINC001164719387 720243333 /nfs/dbraw/zinc/24/33/33/720243333.db2.gz LVRFDGLYVZCAKX-QFIPXVFZSA-N 1 1 382.508 2.208 20 0 GEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(Cl)c3C)C2)C1 ZINC001164720005 720258761 /nfs/dbraw/zinc/25/87/61/720258761.db2.gz QHJASMLPOBGXGC-LJQANCHMSA-N 1 1 380.920 2.017 20 0 GEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(Cl)c3C)C2)C1 ZINC001164720005 720258768 /nfs/dbraw/zinc/25/87/68/720258768.db2.gz QHJASMLPOBGXGC-LJQANCHMSA-N 1 1 380.920 2.017 20 0 GEADMO CN1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)CC1 ZINC001164721832 720405653 /nfs/dbraw/zinc/40/56/53/720405653.db2.gz BJJVSMGPUWHPPO-UXHICEINSA-N 1 1 378.524 2.082 20 0 GEADMO CN1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)CC1 ZINC001164721832 720405655 /nfs/dbraw/zinc/40/56/55/720405655.db2.gz BJJVSMGPUWHPPO-UXHICEINSA-N 1 1 378.524 2.082 20 0 GEADMO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838448 720508963 /nfs/dbraw/zinc/50/89/63/720508963.db2.gz RHBOYGPXNKDCRK-CEXWTWQISA-N 1 1 383.496 2.443 20 0 GEADMO COC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841516 720517646 /nfs/dbraw/zinc/51/76/46/720517646.db2.gz YRFMTPWADFKCTR-YQVWRLOYSA-N 1 1 383.496 2.443 20 0 GEADMO CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164840604 720598406 /nfs/dbraw/zinc/59/84/06/720598406.db2.gz PXGQOOOBJZRYHV-XUVXKRRUSA-N 1 1 396.539 2.406 20 0 GEADMO FC(F)(c1ccc(Cl)nc1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745714 720598884 /nfs/dbraw/zinc/59/88/84/720598884.db2.gz VQVLFUVGKLGWPS-UONOGXRCSA-N 1 1 381.814 2.412 20 0 GEADMO FC(F)(c1ccc(Cl)nc1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745714 720598892 /nfs/dbraw/zinc/59/88/92/720598892.db2.gz VQVLFUVGKLGWPS-UONOGXRCSA-N 1 1 381.814 2.412 20 0 GEADMO FC(F)(c1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742324 720613347 /nfs/dbraw/zinc/61/33/47/720613347.db2.gz MQCOMPTXIPTQMX-ZIAGYGMSSA-N 1 1 381.814 2.412 20 0 GEADMO FC(F)(c1ccnc(Cl)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742324 720613360 /nfs/dbraw/zinc/61/33/60/720613360.db2.gz MQCOMPTXIPTQMX-ZIAGYGMSSA-N 1 1 381.814 2.412 20 0 GEADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740923 720617217 /nfs/dbraw/zinc/61/72/17/720617217.db2.gz KKFMADCOKCZUKC-STQMWFEESA-N 1 1 396.829 2.115 20 0 GEADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740923 720617235 /nfs/dbraw/zinc/61/72/35/720617235.db2.gz KKFMADCOKCZUKC-STQMWFEESA-N 1 1 396.829 2.115 20 0 GEADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164746290 720647711 /nfs/dbraw/zinc/64/77/11/720647711.db2.gz XAXYLOQRHQQHDU-KGLIPLIRSA-N 1 1 386.887 2.141 20 0 GEADMO Clc1nnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164743026 720654797 /nfs/dbraw/zinc/65/47/97/720654797.db2.gz OJFDBNFKAWEOIN-NEPJUHHUSA-N 1 1 388.884 2.477 20 0 GEADMO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164737278 720669253 /nfs/dbraw/zinc/66/92/53/720669253.db2.gz FABXLMYNQNRLLN-CHWSQXEVSA-N 1 1 396.829 2.115 20 0 GEADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164737278 720669256 /nfs/dbraw/zinc/66/92/56/720669256.db2.gz FABXLMYNQNRLLN-CHWSQXEVSA-N 1 1 396.829 2.115 20 0 GEADMO COc1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c1 ZINC001164736823 720669388 /nfs/dbraw/zinc/66/93/88/720669388.db2.gz BJOZERJTNDCKLY-AEFFLSMTSA-N 1 1 377.448 2.375 20 0 GEADMO Fc1ccc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737077 720687080 /nfs/dbraw/zinc/68/70/80/720687080.db2.gz CXDLQYCAUQXYEB-ZWKOTPCHSA-N 1 1 392.438 2.415 20 0 GEADMO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164737765 720769110 /nfs/dbraw/zinc/76/91/10/720769110.db2.gz COVGXDDGHHYNQT-QWHCGFSZSA-N 1 1 396.829 2.115 20 0 GEADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164737765 720769114 /nfs/dbraw/zinc/76/91/14/720769114.db2.gz COVGXDDGHHYNQT-QWHCGFSZSA-N 1 1 396.829 2.115 20 0 GEADMO Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742778 720808194 /nfs/dbraw/zinc/80/81/94/720808194.db2.gz DWLZMFXRGPLWCQ-BRWVUGGUSA-N 1 1 387.919 2.409 20 0 GEADMO CCOc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164737443 720822010 /nfs/dbraw/zinc/82/20/10/720822010.db2.gz BFNRYXPYINSYGN-NLWGTHIKSA-N 1 1 382.512 2.451 20 0 GEADMO COc1ccc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740334 720826803 /nfs/dbraw/zinc/82/68/03/720826803.db2.gz KFPGPFRSFDVMLC-IPMKNSEASA-N 1 1 382.512 2.370 20 0 GEADMO Cc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738752 720831297 /nfs/dbraw/zinc/83/12/97/720831297.db2.gz GESLJWPVPUBPDB-IXDOHACOSA-N 1 1 387.919 2.409 20 0 GEADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1 ZINC001164847028 720831795 /nfs/dbraw/zinc/83/17/95/720831795.db2.gz HRALIQOQUCETHJ-HOCLYGCPSA-N 1 1 397.903 2.085 20 0 GEADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(C5CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740475 720835385 /nfs/dbraw/zinc/83/53/85/720835385.db2.gz BXTBKSNAMUSRJJ-IPMKNSEASA-N 1 1 379.512 2.325 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164849289 720838762 /nfs/dbraw/zinc/83/87/62/720838762.db2.gz BYEYQSKFTRJIQJ-HZPDHXFCSA-N 1 1 376.526 2.482 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccccc43)CC[C@@H]2C1 ZINC001164852941 720838965 /nfs/dbraw/zinc/83/89/65/720838965.db2.gz MNBMPXGZMWNKSH-PBHICJAKSA-N 1 1 376.888 2.457 20 0 GEADMO COc1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743116 720840970 /nfs/dbraw/zinc/84/09/70/720840970.db2.gz IPQRGJKPVQXMKA-GUDVDZBRSA-N 1 1 382.512 2.370 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CCCC4)CC[C@H]2C1 ZINC001164858218 720842121 /nfs/dbraw/zinc/84/21/21/720842121.db2.gz ZCTBBUQMPHCFAN-WMLDXEAASA-N 1 1 380.920 2.182 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)CC[C@H]2C1 ZINC001164854770 720846278 /nfs/dbraw/zinc/84/62/78/720846278.db2.gz SGCLWXQCCFRADR-DZGCQCFKSA-N 1 1 391.846 2.333 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3cnc4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164855220 720848652 /nfs/dbraw/zinc/84/86/52/720848652.db2.gz SYRKYRKNMSDWLA-KDOFPFPSSA-N 1 1 376.888 2.457 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164852839 720848800 /nfs/dbraw/zinc/84/88/00/720848800.db2.gz MAFGEGORQIYVCI-PBHICJAKSA-N 1 1 376.888 2.457 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc4ccc(Cl)cc4n3)CC[C@@H]2C1 ZINC001164852669 720861699 /nfs/dbraw/zinc/86/16/99/720861699.db2.gz FHBSDFMYLYDYOF-QAPCUYQASA-N 1 1 376.888 2.457 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(-c4cccc(OC)c4)n3)CC[C@@H]2C1 ZINC001164862086 720866436 /nfs/dbraw/zinc/86/64/36/720866436.db2.gz YTIYBOAJFLVSOA-NQIIRXRSSA-N 1 1 398.507 2.326 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4nccc(Cl)c4n3)CC[C@@H]2C1 ZINC001164862253 720870698 /nfs/dbraw/zinc/87/06/98/720870698.db2.gz ZUNSVESCXJJKDL-PBHICJAKSA-N 1 1 376.888 2.457 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccccn4)n3)CC[C@@H]2C1 ZINC001164859880 720874522 /nfs/dbraw/zinc/87/45/22/720874522.db2.gz MXIQQFHHTFZYCO-MJGOQNOKSA-N 1 1 383.496 2.021 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(Cc4ccccc4)n3)CC[C@H]2C1 ZINC001164862117 720881541 /nfs/dbraw/zinc/88/15/41/720881541.db2.gz QPPTXOBMGSGYHY-VQTJNVASSA-N 1 1 382.508 2.241 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3cncc(OCC4CCCC4)n3)CC[C@@H]2C1 ZINC001164853865 720887965 /nfs/dbraw/zinc/88/79/65/720887965.db2.gz DDFZPALAMGYIOR-RTBURBONSA-N 1 1 390.528 2.219 20 0 GEADMO C[N@@H+](Cc1ccc(N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)nc1)C1CC1 ZINC001164761786 721009566 /nfs/dbraw/zinc/00/95/66/721009566.db2.gz UAEFFHUGEQQLAF-HKBOAZHASA-N 1 1 380.492 2.491 20 0 GEADMO CON(C)C(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164861771 721012736 /nfs/dbraw/zinc/01/27/36/721012736.db2.gz PIBHIXOIHHISHA-OAHLLOKOSA-N 1 1 386.500 2.333 20 0 GEADMO CNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856723 721020902 /nfs/dbraw/zinc/02/09/02/721020902.db2.gz BKROWLWMXTUWPX-LBPRGKRZSA-N 1 1 391.907 2.108 20 0 GEADMO FC(F)(c1ccnc(Cl)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164858783 721031178 /nfs/dbraw/zinc/03/11/78/721031178.db2.gz GVDPPWVYKLVERB-UHFFFAOYSA-N 1 1 379.802 2.179 20 0 GEADMO Cc1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc(Cl)n1 ZINC001164861212 721032597 /nfs/dbraw/zinc/03/25/97/721032597.db2.gz FFFYJXNVYSERRW-UHFFFAOYSA-N 1 1 393.829 2.487 20 0 GEADMO COc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1NC(C)C ZINC001164869159 721040822 /nfs/dbraw/zinc/04/08/22/721040822.db2.gz SAGXALJIPVQCTJ-ZWKOTPCHSA-N 1 1 398.511 2.180 20 0 GEADMO CCOC(=O)c1ccc(C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867934 721041416 /nfs/dbraw/zinc/04/14/16/721041416.db2.gz LAGGTQINNSWKGY-MOPGFXCFSA-N 1 1 396.491 2.441 20 0 GEADMO COc1cnc(SC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869493 721051836 /nfs/dbraw/zinc/05/18/36/721051836.db2.gz TUDJKPLJDZSSFM-CVEARBPZSA-N 1 1 387.509 2.082 20 0 GEADMO Cc1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164773124 721071471 /nfs/dbraw/zinc/07/14/71/721071471.db2.gz WMTFKVXUIHBQAO-OALUTQOASA-N 1 1 381.528 2.077 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CCCCC5)nn4)C[C@H]3C2)cn1 ZINC001164773631 721072591 /nfs/dbraw/zinc/07/25/91/721072591.db2.gz XUWLODYCHNPLOT-RTBURBONSA-N 1 1 381.528 2.159 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5[nH]cc(F)c54)C[C@@H]3C2)cn1 ZINC001164762753 721073612 /nfs/dbraw/zinc/07/36/12/721073612.db2.gz FHHVINOSBDKWCE-OLZOCXBDSA-N 1 1 389.866 2.442 20 0 GEADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764375 721081688 /nfs/dbraw/zinc/08/16/88/721081688.db2.gz HJZLYNSXGXILNX-HUUCEWRRSA-N 1 1 389.887 2.213 20 0 GEADMO Cc1nc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C ZINC001164863609 721089161 /nfs/dbraw/zinc/08/91/61/721089161.db2.gz CXKGPACWNUOKAJ-MSOLQXFVSA-N 1 1 378.480 2.151 20 0 GEADMO CCOC(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864898 721090111 /nfs/dbraw/zinc/09/01/11/721090111.db2.gz HFHFVKJWECDRNE-MOPGFXCFSA-N 1 1 396.491 2.441 20 0 GEADMO CCOC(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864899 721090782 /nfs/dbraw/zinc/09/07/82/721090782.db2.gz HFHFVKJWECDRNE-OALUTQOASA-N 1 1 396.491 2.441 20 0 GEADMO COc1ccc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762876 721094910 /nfs/dbraw/zinc/09/49/10/721094910.db2.gz FKUUAHPWYCYLMM-DLBZAZTESA-N 1 1 378.480 2.330 20 0 GEADMO COC(=O)c1c(C)cc(C)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761745 721125906 /nfs/dbraw/zinc/12/59/06/721125906.db2.gz BBKCOPSKJUXXGD-ZWKOTPCHSA-N 1 1 383.496 2.177 20 0 GEADMO c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)nc1 ZINC001164872559 721163018 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XCWOCAMATXNPHH-IEBWSBKVSA-N 1 1 381.480 2.283 20 0 GEADMO CC(C)n1cnc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc21 ZINC001164772403 721201668 /nfs/dbraw/zinc/20/16/68/721201668.db2.gz UNHGJGYGXUEOPE-IAGOWNOFSA-N 1 1 380.500 2.099 20 0 GEADMO Cc1noc(-c2cccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765697 721203478 /nfs/dbraw/zinc/20/34/78/721203478.db2.gz IDFBKECPNICBGM-DLBZAZTESA-N 1 1 379.468 2.132 20 0 GEADMO COc1cccc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c21 ZINC001164770153 721205484 /nfs/dbraw/zinc/20/54/84/721205484.db2.gz NROONAANNREDGV-SJORKVTESA-N 1 1 378.480 2.330 20 0 GEADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164875290 721325367 /nfs/dbraw/zinc/32/53/67/721325367.db2.gz DWYGDZTWWBWHOC-UHFFFAOYSA-N 1 1 388.850 2.375 20 0 GEADMO COc1cc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc(Cl)n1 ZINC001164878169 721327834 /nfs/dbraw/zinc/32/78/34/721327834.db2.gz ZFCGERGXQDPQFY-UHFFFAOYSA-N 1 1 375.807 2.318 20 0 GEADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1)C1CC1 ZINC001164888056 721344842 /nfs/dbraw/zinc/34/48/42/721344842.db2.gz WPQFMFGZOIRIIR-SIKLNZKXSA-N 1 1 384.524 2.187 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccsc54)C3)O2)CC1 ZINC001164889831 721382721 /nfs/dbraw/zinc/38/27/21/721382721.db2.gz MNVCWTKDJQPEIZ-OXJNMPFZSA-N 1 1 387.553 2.457 20 0 GEADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788406 721395981 /nfs/dbraw/zinc/39/59/81/721395981.db2.gz RQQXNKGUFQQLEU-GASCZTMLSA-N 1 1 395.488 2.441 20 0 GEADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788406 721395984 /nfs/dbraw/zinc/39/59/84/721395984.db2.gz RQQXNKGUFQQLEU-GASCZTMLSA-N 1 1 395.488 2.441 20 0 GEADMO CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788424 721400375 /nfs/dbraw/zinc/40/03/75/721400375.db2.gz RUSVXZJHIYSVDT-RYUDHWBXSA-N 1 1 393.900 2.331 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cccnc5n4)C3)O2)CC1 ZINC001164884047 721406555 /nfs/dbraw/zinc/40/65/55/721406555.db2.gz DACSZNDZCPBEGD-DENIHFKCSA-N 1 1 381.524 2.395 20 0 GEADMO COCc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(SC)n1 ZINC001164786268 721408703 /nfs/dbraw/zinc/40/87/03/721408703.db2.gz ORLWOVBDIPDGBB-STQMWFEESA-N 1 1 377.539 2.370 20 0 GEADMO CNC(=O)c1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ccc1Cl ZINC001164784158 721416318 /nfs/dbraw/zinc/41/63/18/721416318.db2.gz KQXHRRPUTZISFG-VXGBXAGGSA-N 1 1 377.901 2.119 20 0 GEADMO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2[nH]1 ZINC001164885653 721419836 /nfs/dbraw/zinc/41/98/36/721419836.db2.gz GXUCZYITZHJDNG-LAUBAEHRSA-N 1 1 384.528 2.032 20 0 GEADMO COC(=O)c1cc2c[nH]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cc-2n1 ZINC001164783399 721421497 /nfs/dbraw/zinc/42/14/97/721421497.db2.gz IFQRBNNVUFSPGM-KBPBESRZSA-N 1 1 383.477 2.374 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ncsc54)C3)O2)CC1 ZINC001164890736 721426287 /nfs/dbraw/zinc/42/62/87/721426287.db2.gz DRTSBQNAPMDAQK-JXFKEZNVSA-N 1 1 387.553 2.457 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)c5cc[nH]c54)C3)O2)CC1 ZINC001164894411 721427684 /nfs/dbraw/zinc/42/76/84/721427684.db2.gz MFJBHVGWZSFQOH-KKSFZXQISA-N 1 1 387.503 2.467 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(C(F)F)n4)C3)O2)CC1 ZINC001164890802 721428604 /nfs/dbraw/zinc/42/86/04/721428604.db2.gz FWOJYRHBELWZCH-HNAYVOBHSA-N 1 1 381.471 2.180 20 0 GEADMO NC(=O)c1cc2ccccc2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164790426 721430195 /nfs/dbraw/zinc/43/01/95/721430195.db2.gz XWGLTPVLYLGCFU-HUUCEWRRSA-N 1 1 379.489 2.358 20 0 GEADMO O=C(NC1CCCC1)c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164791116 721431393 /nfs/dbraw/zinc/43/13/93/721431393.db2.gz ZQYBRAKNQJLSPB-GASCZTMLSA-N 1 1 398.536 2.174 20 0 GEADMO O=C(NC1CCCC1)c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nn1 ZINC001164791116 721431394 /nfs/dbraw/zinc/43/13/94/721431394.db2.gz ZQYBRAKNQJLSPB-GASCZTMLSA-N 1 1 398.536 2.174 20 0 GEADMO CC(C)Oc1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896439 721437426 /nfs/dbraw/zinc/43/74/26/721437426.db2.gz RIHLJMJVFXRTDS-NQIIRXRSSA-N 1 1 389.544 2.029 20 0 GEADMO CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164895363 721438540 /nfs/dbraw/zinc/43/85/40/721438540.db2.gz NYTOLVJDYZZSKI-UZLBHIALSA-N 1 1 393.963 2.458 20 0 GEADMO CCc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164895360 721438733 /nfs/dbraw/zinc/43/87/33/721438733.db2.gz NYTOLVJDYZZSKI-JXFKEZNVSA-N 1 1 393.963 2.458 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(F)F)cn4)C3)O2)CC1 ZINC001164893824 721445614 /nfs/dbraw/zinc/44/56/14/721445614.db2.gz KTNZUXBDRNOQED-LPHOPBHVSA-N 1 1 381.471 2.180 20 0 GEADMO c1cnc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccc2CN2CCCC2)nc1 ZINC001164792389 721484407 /nfs/dbraw/zinc/48/44/07/721484407.db2.gz NBVIXVRTVLZMOF-ZCNNSNEGSA-N 1 1 394.523 2.230 20 0 GEADMO CCOC(=O)c1cncnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 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721872765 /nfs/dbraw/zinc/87/27/65/721872765.db2.gz AUNSXGSYQRBUTF-ZIAGYGMSSA-N 1 1 377.924 2.275 20 0 GEADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164920834 721872766 /nfs/dbraw/zinc/87/27/66/721872766.db2.gz AUNSXGSYQRBUTF-ZIAGYGMSSA-N 1 1 377.924 2.275 20 0 GEADMO CNC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940078 721932167 /nfs/dbraw/zinc/93/21/67/721932167.db2.gz QDKCAHJDVFPWJK-UHFFFAOYSA-N 1 1 395.507 2.016 20 0 GEADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC001164946644 721955214 /nfs/dbraw/zinc/95/52/14/721955214.db2.gz OIDBLLXZCBJXRR-RTBURBONSA-N 1 1 398.511 2.161 20 0 GEADMO CCNC(=O)c1cc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045982 721962168 /nfs/dbraw/zinc/96/21/68/721962168.db2.gz FSGCIYKOPYBKMN-UHFFFAOYSA-N 1 1 389.887 2.081 20 0 GEADMO CS(=O)(=O)c1c[nH]c2ncnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165049003 721968477 /nfs/dbraw/zinc/96/84/77/721968477.db2.gz QMVMSBIQWGGGTB-AWEZNQCLSA-N 1 1 377.514 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Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000154389848 531623952 /nfs/dbraw/zinc/62/39/52/531623952.db2.gz ZIBVBJKGNFXWNQ-VXGBXAGGSA-N 1 1 380.286 2.437 20 0 GEADMO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccc(Br)cn3)CC2)no1 ZINC000030202159 531633295 /nfs/dbraw/zinc/63/32/95/531633295.db2.gz UXQRVKWLYBNSGS-UHFFFAOYSA-N 1 1 394.273 2.291 20 0 GEADMO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000030906161 531641212 /nfs/dbraw/zinc/64/12/12/531641212.db2.gz IRCFPWWQZHIGDB-UHFFFAOYSA-N 1 1 382.507 2.067 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000155121797 531658938 /nfs/dbraw/zinc/65/89/38/531658938.db2.gz MZLAMLLXGSBEFV-LBPRGKRZSA-N 1 1 397.317 2.409 20 0 GEADMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000155334345 531676462 /nfs/dbraw/zinc/67/64/62/531676462.db2.gz IPISNOLCVPFFIF-OLZOCXBDSA-N 1 1 386.279 2.301 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000155334345 531676469 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2.308 20 0 GEADMO C[C@@H](O)C[N@@H+](CCCOc1cccc(I)c1)[C@@H](C)CO ZINC000190843105 532358290 /nfs/dbraw/zinc/35/82/90/532358290.db2.gz GVZPWNUTMRWQOQ-QWHCGFSZSA-N 1 1 393.265 2.124 20 0 GEADMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2cc(Br)ccc2n1 ZINC000187277327 532343911 /nfs/dbraw/zinc/34/39/11/532343911.db2.gz OOOQBKFSXIDSRF-CYBMUJFWSA-N 1 1 392.297 2.444 20 0 GEADMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2cc(Br)ccc2n1 ZINC000187277327 532343912 /nfs/dbraw/zinc/34/39/12/532343912.db2.gz OOOQBKFSXIDSRF-CYBMUJFWSA-N 1 1 392.297 2.444 20 0 GEADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187555976 532344835 /nfs/dbraw/zinc/34/48/35/532344835.db2.gz BYSGWMPPWBCUHQ-UHFFFAOYSA-N 1 1 386.880 2.351 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000187725302 532345187 /nfs/dbraw/zinc/34/51/87/532345187.db2.gz GRPBGRHQUGTBQX-UHFFFAOYSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463426414 532373426 /nfs/dbraw/zinc/37/34/26/532373426.db2.gz AGPCZHVZCVCNSU-NSHDSACASA-N 1 1 398.248 2.382 20 0 GEADMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463426414 532373429 /nfs/dbraw/zinc/37/34/29/532373429.db2.gz AGPCZHVZCVCNSU-NSHDSACASA-N 1 1 398.248 2.382 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463426414 532373433 /nfs/dbraw/zinc/37/34/33/532373433.db2.gz AGPCZHVZCVCNSU-NSHDSACASA-N 1 1 398.248 2.382 20 0 GEADMO C[N@H+]1CCCC12CCN(C(=O)CNC(=O)c1ccc(Br)cc1)CC2 ZINC000372141023 532373577 /nfs/dbraw/zinc/37/35/77/532373577.db2.gz VILIKBKGHAWOEQ-UHFFFAOYSA-N 1 1 394.313 2.266 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000191454507 532361011 /nfs/dbraw/zinc/36/10/11/532361011.db2.gz LFHPDWZFGMVXDM-LBPRGKRZSA-N 1 1 388.306 2.132 20 0 GEADMO COC(=O)CNC(=O)CC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191465444 532361138 /nfs/dbraw/zinc/36/11/38/532361138.db2.gz JNKQJEGFYPFSSA-UHFFFAOYSA-N 1 1 383.286 2.340 20 0 GEADMO CSCC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425082878 532363004 /nfs/dbraw/zinc/36/30/04/532363004.db2.gz PGHMDJHHSHKZIJ-NSHDSACASA-N 1 1 385.559 2.028 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277765659 532363198 /nfs/dbraw/zinc/36/31/98/532363198.db2.gz XNGFIINWPLCJSD-GFCCVEGCSA-N 1 1 375.922 2.273 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000557381216 532363363 /nfs/dbraw/zinc/36/33/63/532363363.db2.gz SPCMTEPQDMCRPC-CYBMUJFWSA-N 1 1 396.329 2.180 20 0 GEADMO Cc1nc(NC(=O)[C@H]2CC[NH2+]CC2(F)F)ccc1I ZINC000463136727 532366986 /nfs/dbraw/zinc/36/69/86/532366986.db2.gz MEXLJRXSSPMQAR-MRVPVSSYSA-N 1 1 381.164 2.178 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000463220677 532369557 /nfs/dbraw/zinc/36/95/57/532369557.db2.gz DOXAXCWZHFGDGX-OAHLLOKOSA-N 1 1 385.302 2.132 20 0 GEADMO OC[C@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1(F)F ZINC000463220205 532369922 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COc1ccc(CCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000647707682 532380166 /nfs/dbraw/zinc/38/01/66/532380166.db2.gz BNICGGILNDBYJZ-LSDHHAIUSA-N 1 1 397.313 2.058 20 0 GEADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706684 532380203 /nfs/dbraw/zinc/38/02/03/532380203.db2.gz OSZJMTCQSHJIQJ-BPLDGKMQSA-N 1 1 399.304 2.434 20 0 GEADMO O=C(CCCOc1cccc(Br)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647708136 532380503 /nfs/dbraw/zinc/38/05/03/532380503.db2.gz JDWLNRBDOPAWTQ-JKSUJKDBSA-N 1 1 397.313 2.276 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000463708288 532380494 /nfs/dbraw/zinc/38/04/94/532380494.db2.gz XVSRUBCYLDFWJN-UHFFFAOYSA-N 1 1 375.376 2.202 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677649001 532380955 /nfs/dbraw/zinc/38/09/55/532380955.db2.gz TZPDTJGMRQHNHP-CYBMUJFWSA-N 1 1 385.302 2.132 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677649002 532381100 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C[C@@H](CNC(=O)c1cc(Br)nn1C)[N@H+]1CCc2sccc2C1 ZINC000192066718 532383225 /nfs/dbraw/zinc/38/32/25/532383225.db2.gz BZJXAFPKZYXROF-JTQLQIEISA-N 1 1 383.315 2.421 20 0 GEADMO C[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372311439 532383544 /nfs/dbraw/zinc/38/35/44/532383544.db2.gz JSGLBARNXJXEPB-MAUKXSAKSA-N 1 1 385.961 2.128 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000623177452 532384091 /nfs/dbraw/zinc/38/40/91/532384091.db2.gz YSLORWUZYXPCQW-UHFFFAOYSA-N 1 1 388.281 2.234 20 0 GEADMO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192072554 532384267 /nfs/dbraw/zinc/38/42/67/532384267.db2.gz LRORWRMBCHVRKA-SWLSCSKDSA-N 1 1 381.270 2.439 20 0 GEADMO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192072554 532384273 /nfs/dbraw/zinc/38/42/73/532384273.db2.gz LRORWRMBCHVRKA-SWLSCSKDSA-N 1 1 381.270 2.439 20 0 GEADMO CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192075262 532384812 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20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)s1 ZINC000425413128 532385489 /nfs/dbraw/zinc/38/54/89/532385489.db2.gz AZOTUKDIAAVMGI-KGLIPLIRSA-N 1 1 390.596 2.485 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)s1 ZINC000425413128 532385496 /nfs/dbraw/zinc/38/54/96/532385496.db2.gz AZOTUKDIAAVMGI-KGLIPLIRSA-N 1 1 390.596 2.485 20 0 GEADMO CC(=O)NCC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000558157033 532386783 /nfs/dbraw/zinc/38/67/83/532386783.db2.gz NPSIFYWZLXHWAR-DOTOQJQBSA-N 1 1 399.329 2.427 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H]1c1cccnc1 ZINC000372390633 532388282 /nfs/dbraw/zinc/38/82/82/532388282.db2.gz WMDBQSKSVFTLTN-WFASDCNBSA-N 1 1 391.269 2.368 20 0 GEADMO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2N1 ZINC000516607056 532388418 /nfs/dbraw/zinc/38/84/18/532388418.db2.gz FDBMAAVGQQJFEA-UKRRQHHQSA-N 1 1 383.901 2.130 20 0 GEADMO CN(C)c1nc2sc(C(=O)NC[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)cc2s1 ZINC000372376313 532389123 /nfs/dbraw/zinc/38/91/23/532389123.db2.gz YIBFOYDBDPAUDY-NWDGAFQWSA-N 1 1 380.539 2.407 20 0 GEADMO CN(C)c1nc2sc(C(=O)NC[C@@H]3C[N@H+]4CCCC[C@H]4CO3)cc2s1 ZINC000372376313 532389128 /nfs/dbraw/zinc/38/91/28/532389128.db2.gz YIBFOYDBDPAUDY-NWDGAFQWSA-N 1 1 380.539 2.407 20 0 GEADMO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC000623442703 532389596 /nfs/dbraw/zinc/38/95/96/532389596.db2.gz DRUFWCUMVNGEQL-KGLIPLIRSA-N 1 1 387.571 2.344 20 0 GEADMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677980971 532390185 /nfs/dbraw/zinc/39/01/85/532390185.db2.gz PIVYTLQMWWXLOY-KRWDZBQOSA-N 1 1 397.313 2.397 20 0 GEADMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677980971 532390189 /nfs/dbraw/zinc/39/01/89/532390189.db2.gz PIVYTLQMWWXLOY-KRWDZBQOSA-N 1 1 397.313 2.397 20 0 GEADMO CNS(=O)(=O)C1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678260483 532391089 /nfs/dbraw/zinc/39/10/89/532391089.db2.gz YNHWSMUOEPRKEK-UHFFFAOYSA-N 1 1 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CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000556685476 532811921 /nfs/dbraw/zinc/81/19/21/532811921.db2.gz XPMYMCZSHISCQB-SNVBAGLBSA-N 1 1 390.228 2.218 20 0 GEADMO CCS(=O)(=O)CCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000413859149 532815670 /nfs/dbraw/zinc/81/56/70/532815670.db2.gz MNDNHQCJUARCNK-UHFFFAOYSA-N 1 1 375.579 2.353 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1Br ZINC000272395986 532815352 /nfs/dbraw/zinc/81/53/52/532815352.db2.gz YQOQUPWRGUBBPA-IUODEOHRSA-N 1 1 380.286 2.249 20 0 GEADMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000330187612 532815827 /nfs/dbraw/zinc/81/58/27/532815827.db2.gz TXQDEUVKNLCAHZ-CYBMUJFWSA-N 1 1 384.502 2.128 20 0 GEADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000272510292 532816586 /nfs/dbraw/zinc/81/65/86/532816586.db2.gz KALUIXGKHYEWJH-NSHDSACASA-N 1 1 378.464 2.331 20 0 GEADMO C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC000272932249 532819519 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CN(C)S(=O)(=O)c1cc(NC(=O)c2sccc2C[NH+](C)C)ccc1F ZINC000288453981 532827433 /nfs/dbraw/zinc/82/74/33/532827433.db2.gz TWTLGHMTOVEHIX-UHFFFAOYSA-N 1 1 385.486 2.451 20 0 GEADMO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000330945975 532830293 /nfs/dbraw/zinc/83/02/93/532830293.db2.gz KPPJAVJWBZTLQR-CQSZACIVSA-N 1 1 386.315 2.371 20 0 GEADMO C[C@@H](NC(=O)Nc1ccncc1I)C1=CC[N@@H+](C)CC1 ZINC000273687498 532830854 /nfs/dbraw/zinc/83/08/54/532830854.db2.gz GQUJCUWWRGVFSK-SNVBAGLBSA-N 1 1 386.237 2.458 20 0 GEADMO O[C@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(Br)cc1 ZINC000273786923 532834825 /nfs/dbraw/zinc/83/48/25/532834825.db2.gz YBUOMOILVLGIDP-OAHLLOKOSA-N 1 1 381.249 2.234 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ncc1F ZINC000273843091 532835516 /nfs/dbraw/zinc/83/55/16/532835516.db2.gz IHXYHXBPUNRSKM-TVQRCGJNSA-N 1 1 382.237 2.173 20 0 GEADMO O=C1CC[C@@H](NCc2cc(F)ccc2Br)[C@H](C2CC[NH2+]CC2)N1 ZINC000414994728 532836647 /nfs/dbraw/zinc/83/66/47/532836647.db2.gz VEPDQRCWJOAZGI-WBVHZDCISA-N 1 1 384.293 2.325 20 0 GEADMO CC1CC[NH+](C[C@@H](O)CNC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000331441382 532839793 /nfs/dbraw/zinc/83/97/93/532839793.db2.gz XPPPKYIMXREIRW-ZDUSSCGKSA-N 1 1 395.301 2.148 20 0 GEADMO C[N@@H+](CCNC(=O)c1nc2ccc(Br)cn2n1)C1CCCCC1 ZINC000331447917 532839880 /nfs/dbraw/zinc/83/98/80/532839880.db2.gz SOFJBENTPSSZCQ-UHFFFAOYSA-N 1 1 380.290 2.486 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000003957968 204022766 /nfs/dbraw/zinc/02/27/66/204022766.db2.gz KXRLMISUAQPCFW-QGZVFWFLSA-N 1 1 379.526 2.138 20 0 GEADMO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000331542916 532841408 /nfs/dbraw/zinc/84/14/08/532841408.db2.gz QRTKGPQTIKBZGM-YGRLFVJLSA-N 1 1 389.315 2.219 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)C1 ZINC000331551899 532841382 /nfs/dbraw/zinc/84/13/82/532841382.db2.gz RBMFWCNCXAQUBS-CRAIPNDOSA-N 1 1 396.329 2.438 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000331697970 532842657 /nfs/dbraw/zinc/84/26/57/532842657.db2.gz ZQSVFUXFRFBANX-PHIMTYICSA-N 1 1 377.436 2.078 20 0 GEADMO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000289000553 532844197 /nfs/dbraw/zinc/84/41/97/532844197.db2.gz MJAIXOACHWABJC-RYUDHWBXSA-N 1 1 388.249 2.323 20 0 GEADMO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000289000553 532844199 /nfs/dbraw/zinc/84/41/99/532844199.db2.gz MJAIXOACHWABJC-RYUDHWBXSA-N 1 1 388.249 2.323 20 0 GEADMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@H+]1C ZINC000331828520 532845244 /nfs/dbraw/zinc/84/52/44/532845244.db2.gz ROQHQDCRNLUVIH-GXFFZTMASA-N 1 1 389.315 2.145 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1Br ZINC000331987857 532847511 /nfs/dbraw/zinc/84/75/11/532847511.db2.gz DLLHRFPAXVCZPH-JSGCOSHPSA-N 1 1 380.286 2.249 20 0 GEADMO CC[N@H+](CCO)CCNCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000274363587 532848328 /nfs/dbraw/zinc/84/83/28/532848328.db2.gz DVZXQPMWCQNIQO-UHFFFAOYSA-N 1 1 397.260 2.463 20 0 GEADMO CC[N@@H+](CCO)CCNCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000274363587 532848330 /nfs/dbraw/zinc/84/83/30/532848330.db2.gz DVZXQPMWCQNIQO-UHFFFAOYSA-N 1 1 397.260 2.463 20 0 GEADMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cncc(Br)c1)C(F)(F)F ZINC000274359775 532848543 /nfs/dbraw/zinc/84/85/43/532848543.db2.gz VGHAVBPVEZZKSF-GFCCVEGCSA-N 1 1 379.180 2.117 20 0 GEADMO Cn1nccc1S(=O)(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000274453438 532850394 /nfs/dbraw/zinc/85/03/94/532850394.db2.gz WPGUCVKRZQWBRZ-CYBMUJFWSA-N 1 1 376.404 2.020 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000274543672 532851682 /nfs/dbraw/zinc/85/16/82/532851682.db2.gz WIZAIKJWZUJLHK-CYBMUJFWSA-N 1 1 387.933 2.193 20 0 GEADMO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@@H](SC)C2)ccc1C ZINC000332281034 532851496 /nfs/dbraw/zinc/85/14/96/532851496.db2.gz DPWSNKYJBHZFKV-OAHLLOKOSA-N 1 1 385.555 2.059 20 0 GEADMO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[NH+](C)CC1 ZINC000332343422 532852183 /nfs/dbraw/zinc/85/21/83/532852183.db2.gz PGOPQUKNDZNUSJ-LBPRGKRZSA-N 1 1 382.295 2.754 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000289326909 532852477 /nfs/dbraw/zinc/85/24/77/532852477.db2.gz UISWSKXFXXFKJQ-UHFFFAOYSA-N 1 1 388.898 2.405 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1Br ZINC000332363084 532853149 /nfs/dbraw/zinc/85/31/49/532853149.db2.gz RAQUKGIOOCRKJN-MRXNPFEDSA-N 1 1 386.265 2.164 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccsc1 ZINC000274623959 532853375 /nfs/dbraw/zinc/85/33/75/532853375.db2.gz LRTJFYFWELIRHD-GFCCVEGCSA-N 1 1 382.433 2.088 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1Br ZINC000332363083 532853246 /nfs/dbraw/zinc/85/32/46/532853246.db2.gz RAQUKGIOOCRKJN-INIZCTEOSA-N 1 1 386.265 2.164 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000332381723 532854164 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COc1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000821821240 607310456 /nfs/dbraw/zinc/31/04/56/607310456.db2.gz CGKONBMUJKLBAF-UHFFFAOYSA-N 1 1 380.452 2.320 20 0 GEADMO COCC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1cccs1 ZINC000736995275 599284376 /nfs/dbraw/zinc/28/43/76/599284376.db2.gz QGYWRISSKDOIAJ-UHFFFAOYSA-N 1 1 392.510 2.467 20 0 GEADMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000737627661 599289747 /nfs/dbraw/zinc/28/97/47/599289747.db2.gz MLEZOWNGPHOUCS-OAHLLOKOSA-N 1 1 391.439 2.030 20 0 GEADMO CC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CCCCC1 ZINC000736556544 598233493 /nfs/dbraw/zinc/23/34/93/598233493.db2.gz XTEAYYISUWITFF-HXUWFJFHSA-N 1 1 397.483 2.246 20 0 GEADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736849737 598239833 /nfs/dbraw/zinc/23/98/33/598239833.db2.gz WMCQHZAIARJNJB-AWEZNQCLSA-N 1 1 396.451 2.062 20 0 GEADMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737149366 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Cc1nc(C)n([C@@H]2CCC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473100 598355473 /nfs/dbraw/zinc/35/54/73/598355473.db2.gz DSXKPLRDHMVGHX-QGZVFWFLSA-N 1 1 382.472 2.181 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737441752 598355775 /nfs/dbraw/zinc/35/57/75/598355775.db2.gz AWXRKRXIQOCRBK-QGZVFWFLSA-N 1 1 380.456 2.037 20 0 GEADMO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737475041 598357685 /nfs/dbraw/zinc/35/76/85/598357685.db2.gz YZSBBQZGTLATJB-MRXNPFEDSA-N 1 1 377.456 2.165 20 0 GEADMO Fc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(-c2nn[nH]n2)c1 ZINC000737647275 598365286 /nfs/dbraw/zinc/36/52/86/598365286.db2.gz AVPLQWISADQAEF-UHFFFAOYSA-N 1 1 379.399 2.469 20 0 GEADMO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736290598 598365869 /nfs/dbraw/zinc/36/58/69/598365869.db2.gz RLBOAVHKXHXHSR-OXJNMPFZSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736284686 598365894 /nfs/dbraw/zinc/36/58/94/598365894.db2.gz CVZVYVPIHHVEDH-QRWLVFNGSA-N 1 1 396.470 2.246 20 0 GEADMO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000735662127 598366016 /nfs/dbraw/zinc/36/60/16/598366016.db2.gz QOECFVBTIAXCJU-UHFFFAOYSA-N 1 1 380.500 2.136 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736818508 598366891 /nfs/dbraw/zinc/36/68/91/598366891.db2.gz RSZRUPJXDILNHJ-KRWDZBQOSA-N 1 1 394.483 2.224 20 0 GEADMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737512327 598368696 /nfs/dbraw/zinc/36/86/96/598368696.db2.gz ZJONDRZXIRSJQK-WMLDXEAASA-N 1 1 394.483 2.381 20 0 GEADMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737512327 598368697 /nfs/dbraw/zinc/36/86/97/598368697.db2.gz ZJONDRZXIRSJQK-WMLDXEAASA-N 1 1 394.483 2.381 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H]1CCCO1 ZINC000736793279 598373877 /nfs/dbraw/zinc/37/38/77/598373877.db2.gz VZQAMRSDLMXZJM-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000738387889 598376483 /nfs/dbraw/zinc/37/64/83/598376483.db2.gz QAIRNLMUVCVEQW-SFHVURJKSA-N 1 1 383.427 2.410 20 0 GEADMO CC(C)n1ccnc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735964996 598426816 /nfs/dbraw/zinc/42/68/16/598426816.db2.gz IBZZPLBKMSXVSP-UHFFFAOYSA-N 1 1 394.483 2.495 20 0 GEADMO CCCCC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736441102 598430856 /nfs/dbraw/zinc/43/08/56/598430856.db2.gz NJLWGQSOKYCIPO-QGZVFWFLSA-N 1 1 399.543 2.069 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037503 598478749 /nfs/dbraw/zinc/47/87/49/598478749.db2.gz WHXZXNDHYWTCII-WMZOPIPTSA-N 1 1 381.484 2.168 20 0 GEADMO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738146813 598515129 /nfs/dbraw/zinc/51/51/29/598515129.db2.gz RECYHTQFJPFGRS-GFCCVEGCSA-N 1 1 393.398 2.074 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737145533 598524715 /nfs/dbraw/zinc/52/47/15/598524715.db2.gz CROLHGSBYSUDSF-GOSISDBHSA-N 1 1 392.463 2.329 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737145533 598524716 /nfs/dbraw/zinc/52/47/16/598524716.db2.gz CROLHGSBYSUDSF-GOSISDBHSA-N 1 1 392.463 2.329 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000735562720 598525458 /nfs/dbraw/zinc/52/54/58/598525458.db2.gz QPWIISDNIJPZRX-CQSZACIVSA-N 1 1 377.452 2.146 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000735562720 598525459 /nfs/dbraw/zinc/52/54/59/598525459.db2.gz QPWIISDNIJPZRX-CQSZACIVSA-N 1 1 377.452 2.146 20 0 GEADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736457070 598540216 /nfs/dbraw/zinc/54/02/16/598540216.db2.gz LIYOOEDQOISWDQ-INIZCTEOSA-N 1 1 389.479 2.460 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736569376 598556029 /nfs/dbraw/zinc/55/60/29/598556029.db2.gz HGHVXFCXUGZASA-HNNXBMFYSA-N 1 1 396.451 2.253 20 0 GEADMO O=C(COc1ccccc1-c1nn[nH]n1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737932207 598570457 /nfs/dbraw/zinc/57/04/57/598570457.db2.gz UMRLSYWPZWRAGQ-KRWDZBQOSA-N 1 1 398.511 2.406 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736268368 598604061 /nfs/dbraw/zinc/60/40/61/598604061.db2.gz SZNOWNYHGUXAMT-QFBILLFUSA-N 1 1 397.527 2.216 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736268361 598604294 /nfs/dbraw/zinc/60/42/94/598604294.db2.gz SZNOWNYHGUXAMT-APWZRJJASA-N 1 1 397.527 2.216 20 0 GEADMO C[N@@H+](CCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736797008 598615934 /nfs/dbraw/zinc/61/59/34/598615934.db2.gz DYWBMSOXJFBMEM-SFHVURJKSA-N 1 1 390.447 2.063 20 0 GEADMO CCc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736692654 598615989 /nfs/dbraw/zinc/61/59/89/598615989.db2.gz STQPCGLMVZFORH-SFHVURJKSA-N 1 1 390.447 2.193 20 0 GEADMO CCc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736692654 598615991 /nfs/dbraw/zinc/61/59/91/598615991.db2.gz STQPCGLMVZFORH-SFHVURJKSA-N 1 1 390.447 2.193 20 0 GEADMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735873227 598621093 /nfs/dbraw/zinc/62/10/93/598621093.db2.gz CWDXPNHPMMDKOQ-CQSZACIVSA-N 1 1 382.390 2.240 20 0 GEADMO CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736542604 598621463 /nfs/dbraw/zinc/62/14/63/598621463.db2.gz UKPFVVOYTCMVOK-SFHVURJKSA-N 1 1 392.463 2.373 20 0 GEADMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)C1 ZINC000736847861 598627107 /nfs/dbraw/zinc/62/71/07/598627107.db2.gz XHRZDNKVCBQZTH-SFHVURJKSA-N 1 1 394.454 2.486 20 0 GEADMO c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738425013 598673051 /nfs/dbraw/zinc/67/30/51/598673051.db2.gz JMNRDFRENAEZGF-UHFFFAOYSA-N 1 1 386.463 2.375 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735875585 598684717 /nfs/dbraw/zinc/68/47/17/598684717.db2.gz PFENDWVSHTXSBF-INIZCTEOSA-N 1 1 386.500 2.262 20 0 GEADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738027196 598685954 /nfs/dbraw/zinc/68/59/54/598685954.db2.gz XBMYOGHGFSKDGJ-OAHLLOKOSA-N 1 1 391.435 2.021 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736570983 598686219 /nfs/dbraw/zinc/68/62/19/598686219.db2.gz OAFOBOZPSRATGC-INIZCTEOSA-N 1 1 386.500 2.264 20 0 GEADMO C[C@@H](c1ccc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cc1)[NH+]1CCOCC1 ZINC000736201303 598688108 /nfs/dbraw/zinc/68/81/08/598688108.db2.gz WRYHMELPKLFQIN-HNNXBMFYSA-N 1 1 392.463 2.441 20 0 GEADMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)no1 ZINC000737471216 598717064 /nfs/dbraw/zinc/71/70/64/598717064.db2.gz FOCQJGKPJFCITN-AWEZNQCLSA-N 1 1 378.440 2.266 20 0 GEADMO CCCCCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736447111 598720476 /nfs/dbraw/zinc/72/04/76/598720476.db2.gz FRDRWQUHPFBSKU-UHFFFAOYSA-N 1 1 385.516 2.027 20 0 GEADMO CCS[C@H]1CCCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666321 598749262 /nfs/dbraw/zinc/74/92/62/598749262.db2.gz RISSQLDDBGIHJH-RDJZCZTQSA-N 1 1 377.514 2.214 20 0 GEADMO C[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305032 598763578 /nfs/dbraw/zinc/76/35/78/598763578.db2.gz SAQNSHHFALFWMT-ZBFHGGJFSA-N 1 1 381.436 2.062 20 0 GEADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735587722 598796615 /nfs/dbraw/zinc/79/66/15/598796615.db2.gz XYOPOMULDLAQJX-HNNXBMFYSA-N 1 1 386.500 2.120 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736247538 598811440 /nfs/dbraw/zinc/81/14/40/598811440.db2.gz FOLMVBYLPGAHNR-OKILXGFUSA-N 1 1 380.456 2.254 20 0 GEADMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737864694 598819616 /nfs/dbraw/zinc/81/96/16/598819616.db2.gz NSYQOAHDLMSQLV-UHFFFAOYSA-N 1 1 378.436 2.423 20 0 GEADMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737864694 598819617 /nfs/dbraw/zinc/81/96/17/598819617.db2.gz NSYQOAHDLMSQLV-UHFFFAOYSA-N 1 1 378.436 2.423 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCO2 ZINC000821206930 599301769 /nfs/dbraw/zinc/30/17/69/599301769.db2.gz HHOVYTFVGIODHL-UHFFFAOYSA-N 1 1 394.435 2.446 20 0 GEADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735964983 599357153 /nfs/dbraw/zinc/35/71/53/599357153.db2.gz HVDNCJKACOQGGK-MRXNPFEDSA-N 1 1 382.472 2.298 20 0 GEADMO Cc1cccc(NCCNC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)[nH+]1 ZINC000822323452 599361023 /nfs/dbraw/zinc/36/10/23/599361023.db2.gz GYKKUUDIJZXNOH-SFHVURJKSA-N 1 1 395.467 2.202 20 0 GEADMO Cc1ccc(NCCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[nH+]c1 ZINC000822254189 599443392 /nfs/dbraw/zinc/44/33/92/599443392.db2.gz CJUBYMZFRPQNKV-UHFFFAOYSA-N 1 1 384.419 2.011 20 0 GEADMO O=C(NCCCC1CC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738055265 599456360 /nfs/dbraw/zinc/45/63/60/599456360.db2.gz IYPUTXHJRDCFSF-UHFFFAOYSA-N 1 1 383.500 2.274 20 0 GEADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736234463 599477344 /nfs/dbraw/zinc/47/73/44/599477344.db2.gz JMGVOSQFTXOOCT-PUECVXPYSA-N 1 1 380.427 2.410 20 0 GEADMO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCCOc1ccc2c(c1)OCO2 ZINC000823796809 599482034 /nfs/dbraw/zinc/48/20/34/599482034.db2.gz HJWFCQWKUUZCFD-UHFFFAOYSA-N 1 1 376.376 2.056 20 0 GEADMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201157 599488553 /nfs/dbraw/zinc/48/85/53/599488553.db2.gz HCGWJEDTTDVDEH-CRAIPNDOSA-N 1 1 388.479 2.440 20 0 GEADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201157 599488557 /nfs/dbraw/zinc/48/85/57/599488557.db2.gz HCGWJEDTTDVDEH-CRAIPNDOSA-N 1 1 388.479 2.440 20 0 GEADMO CCc1nc2n(n1)C[C@@H](Nc1c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc13)CC2 ZINC000821509443 599535902 /nfs/dbraw/zinc/53/59/02/599535902.db2.gz HADOZMDPBLQMPG-ZDUSSCGKSA-N 1 1 389.467 2.034 20 0 GEADMO Cc1nc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)oc1C ZINC000822190852 599536937 /nfs/dbraw/zinc/53/69/37/599536937.db2.gz CMKDZPFMBVTADO-UHFFFAOYSA-N 1 1 382.472 2.196 20 0 GEADMO Cc1nc(C[N@H+]2CCCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)oc1C ZINC000822190852 599536940 /nfs/dbraw/zinc/53/69/40/599536940.db2.gz CMKDZPFMBVTADO-UHFFFAOYSA-N 1 1 382.472 2.196 20 0 GEADMO CN(CC[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000821601385 599574339 /nfs/dbraw/zinc/57/43/39/599574339.db2.gz DVCVWGHBJYKNDG-UHFFFAOYSA-N 1 1 390.451 2.485 20 0 GEADMO CN(CC[N@@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000821601385 599574341 /nfs/dbraw/zinc/57/43/41/599574341.db2.gz DVCVWGHBJYKNDG-UHFFFAOYSA-N 1 1 390.451 2.485 20 0 GEADMO c1cnn(CC2CC[NH+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC2)c1 ZINC000823816294 599575366 /nfs/dbraw/zinc/57/53/66/599575366.db2.gz SHWCOVBTIHHZDK-UHFFFAOYSA-N 1 1 391.439 2.025 20 0 GEADMO O=C(CC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842490 599586318 /nfs/dbraw/zinc/58/63/18/599586318.db2.gz CITKXMJUEDPGND-AWEZNQCLSA-N 1 1 398.389 2.239 20 0 GEADMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736614979 599587137 /nfs/dbraw/zinc/58/71/37/599587137.db2.gz WOILPOSSZAMRGV-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)sc1C ZINC000822422951 599645771 /nfs/dbraw/zinc/64/57/71/599645771.db2.gz GHFDPOQWESQNLH-UHFFFAOYSA-N 1 1 385.497 2.081 20 0 GEADMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)sc1C ZINC000822423167 599645840 /nfs/dbraw/zinc/64/58/40/599645840.db2.gz IKZWQALBBQWMDG-UHFFFAOYSA-N 1 1 385.497 2.081 20 0 GEADMO O=C(c1ccncc1Cl)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823498719 599648443 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GEADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503582638 650420332 /nfs/dbraw/zinc/42/03/32/650420332.db2.gz DRDPCRLJENLCNO-NSHDSACASA-N 1 1 391.256 2.497 20 0 GEADMO Cc1cc(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1Br ZINC000459168869 650420518 /nfs/dbraw/zinc/42/05/18/650420518.db2.gz GHZIWTNLQHWCIH-OAHLLOKOSA-N 1 1 384.318 2.404 20 0 GEADMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000459349542 650423246 /nfs/dbraw/zinc/42/32/46/650423246.db2.gz XPBNOHUCHYPPDE-LBPRGKRZSA-N 1 1 380.286 2.353 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1O ZINC000504138621 650427785 /nfs/dbraw/zinc/42/77/85/650427785.db2.gz OHLSZDOXDULUCU-GFCCVEGCSA-N 1 1 385.302 2.001 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccccc1OC(F)F ZINC000504407173 650430713 /nfs/dbraw/zinc/43/07/13/650430713.db2.gz DAODJJTWTZMAFN-MNOVXSKESA-N 1 1 376.425 2.170 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459714784 650430936 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CS(=O)(=O)c1cccc(OCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000409449588 647960851 /nfs/dbraw/zinc/96/08/51/647960851.db2.gz RUVSGVUYVCBVSE-DOTOQJQBSA-N 1 1 385.551 2.455 20 0 GEADMO OC[C@H](Nc1cc[nH+]c(N2CCOCC2)n1)c1ccc(Br)c(F)c1 ZINC000488740996 647965222 /nfs/dbraw/zinc/96/52/22/647965222.db2.gz YUDRMTRGSKEBSH-AWEZNQCLSA-N 1 1 397.248 2.360 20 0 GEADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000409701969 647979651 /nfs/dbraw/zinc/97/96/51/647979651.db2.gz RQOBYFRKUQQIDR-CYBMUJFWSA-N 1 1 382.302 2.103 20 0 GEADMO COCC(COC)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000411867180 648037105 /nfs/dbraw/zinc/03/71/05/648037105.db2.gz WQSITFWCLPXXOR-UHFFFAOYSA-N 1 1 390.311 2.211 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412035483 648041949 /nfs/dbraw/zinc/04/19/49/648041949.db2.gz LJLUVTRECAKZHG-COPLHBTASA-N 1 1 388.249 2.321 20 0 GEADMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000412103433 648042404 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COC(=O)[C@H]1CN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC[N@@H+](C)C1 ZINC000413904659 648083744 /nfs/dbraw/zinc/08/37/44/648083744.db2.gz PTTLVKSSDYWHED-GXTWGEPZSA-N 1 1 383.286 2.116 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+](C)C1 ZINC000413908027 648083782 /nfs/dbraw/zinc/08/37/82/648083782.db2.gz UJNSAFGHVVZISD-HNNXBMFYSA-N 1 1 397.313 2.335 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+](C)C1 ZINC000413906099 648083817 /nfs/dbraw/zinc/08/38/17/648083817.db2.gz RHXNSKURAXNVSQ-LBPRGKRZSA-N 1 1 386.290 2.008 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+](C)C1 ZINC000413918587 648085885 /nfs/dbraw/zinc/08/58/85/648085885.db2.gz LGKIKHVGTZZQHX-ZDUSSCGKSA-N 1 1 395.297 2.044 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413928132 648087068 /nfs/dbraw/zinc/08/70/68/648087068.db2.gz YMBHIWWXDZCJKU-NWDGAFQWSA-N 1 1 389.279 2.324 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC[N@@H+](C)C1 ZINC000413928132 648087071 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[NH3+][C@H]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417735691 648260310 /nfs/dbraw/zinc/26/03/10/648260310.db2.gz SKBBEDNJUVKJSC-QWHCGFSZSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417735691 648260312 /nfs/dbraw/zinc/26/03/12/648260312.db2.gz SKBBEDNJUVKJSC-QWHCGFSZSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417735693 648260366 /nfs/dbraw/zinc/26/03/66/648260366.db2.gz SKBBEDNJUVKJSC-STQMWFEESA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417735693 648260368 /nfs/dbraw/zinc/26/03/68/648260368.db2.gz SKBBEDNJUVKJSC-STQMWFEESA-N 1 1 393.289 2.303 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@H](C)C[NH2+]1 ZINC000417742186 648261048 /nfs/dbraw/zinc/26/10/48/648261048.db2.gz ZSSUEIKEXGOBAO-GHMZBOCLSA-N 1 1 393.289 2.126 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H](C)C[NH2+]1 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GEADMO COc1nc(C)c(Br)cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123235 652452085 /nfs/dbraw/zinc/45/20/85/652452085.db2.gz HXISGBFJSTXCSS-UHFFFAOYSA-N 1 1 398.301 2.098 20 0 GEADMO COc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000628126079 652452418 /nfs/dbraw/zinc/45/24/18/652452418.db2.gz AYSXMKGDEHNHSY-UHFFFAOYSA-N 1 1 383.286 2.395 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000628128382 652452446 /nfs/dbraw/zinc/45/24/46/652452446.db2.gz CDUGAXCBPZDGOA-UHFFFAOYSA-N 1 1 383.286 2.395 20 0 GEADMO NS(=O)(=O)c1cc2c(s1)CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000662224102 652453540 /nfs/dbraw/zinc/45/35/40/652453540.db2.gz AYKUKDMPXZANDD-MRXNPFEDSA-N 1 1 377.535 2.028 20 0 GEADMO O=C(Nc1ccccc1Br)C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662256528 652454734 /nfs/dbraw/zinc/45/47/34/652454734.db2.gz IXLKGUDPISGVPU-CQSZACIVSA-N 1 1 382.302 2.088 20 0 GEADMO CC(C)Oc1cc(Cl)c(C[NH2+]CCNS(=O)(=O)N(C)C)cc1Cl ZINC000628274660 652456917 /nfs/dbraw/zinc/45/69/17/652456917.db2.gz HEXVYIZIWOCPKL-UHFFFAOYSA-N 1 1 384.329 2.266 20 0 GEADMO CN(C)c1c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc(F)c1F ZINC000628271342 652456977 /nfs/dbraw/zinc/45/69/77/652456977.db2.gz WGZAWOOFFRQPMN-ZDUSSCGKSA-N 1 1 375.485 2.134 20 0 GEADMO CN(C)c1c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc(F)c1F ZINC000628271342 652456979 /nfs/dbraw/zinc/45/69/79/652456979.db2.gz WGZAWOOFFRQPMN-ZDUSSCGKSA-N 1 1 375.485 2.134 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC3CC2(C)C3)c1 ZINC000662381073 652457908 /nfs/dbraw/zinc/45/79/08/652457908.db2.gz OJYYQUDZVASXMX-UHFFFAOYSA-N 1 1 385.917 2.403 20 0 GEADMO Cc1cccc(OC[C@@H](O)CNC(=O)[C@H]([NH3+])c2ccccc2Br)c1 ZINC000662407957 652459358 /nfs/dbraw/zinc/45/93/58/652459358.db2.gz JQUFSMNOFYUJSO-SUMWQHHRSA-N 1 1 393.281 2.313 20 0 GEADMO CCOc1cc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc(Cl)c1O ZINC000628495840 652459717 /nfs/dbraw/zinc/45/97/17/652459717.db2.gz BJXAQEPSTWXUAW-LBPRGKRZSA-N 1 1 376.906 2.206 20 0 GEADMO CCOc1cc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc(Cl)c1O ZINC000628495840 652459721 /nfs/dbraw/zinc/45/97/21/652459721.db2.gz BJXAQEPSTWXUAW-LBPRGKRZSA-N 1 1 376.906 2.206 20 0 GEADMO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(I)c1O ZINC000755296958 652462502 /nfs/dbraw/zinc/46/25/02/652462502.db2.gz UDCKHPSEPPMVSF-NSHDSACASA-N 1 1 386.233 2.211 20 0 GEADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(I)c1O ZINC000755296958 652462503 /nfs/dbraw/zinc/46/25/03/652462503.db2.gz UDCKHPSEPPMVSF-NSHDSACASA-N 1 1 386.233 2.211 20 0 GEADMO Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)C2 ZINC000662463925 652462561 /nfs/dbraw/zinc/46/25/61/652462561.db2.gz CVBPNNUJXVJGHJ-BLLLJJGKSA-N 1 1 375.270 2.221 20 0 GEADMO Cn1cc(C[C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)cn1 ZINC000662487410 652463986 /nfs/dbraw/zinc/46/39/86/652463986.db2.gz SHTHHTAZMJMLQS-BLLLJJGKSA-N 1 1 377.286 2.274 20 0 GEADMO C[NH2+][C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000662499332 652464423 /nfs/dbraw/zinc/46/44/23/652464423.db2.gz YNKOOQQJSJXGSS-CYBMUJFWSA-N 1 1 379.309 2.290 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000662517544 652465728 /nfs/dbraw/zinc/46/57/28/652465728.db2.gz JGBDOBPAHRNUHW-CHWSQXEVSA-N 1 1 377.794 2.270 20 0 GEADMO C[NH2+][C@H](C(=O)Nc1cnn(CC(=O)N(C)C)c1)c1cccc(Cl)c1Cl ZINC000662528506 652466056 /nfs/dbraw/zinc/46/60/56/652466056.db2.gz RWYJTHUUFUVVHY-HNNXBMFYSA-N 1 1 384.267 2.177 20 0 GEADMO CCN(C(=O)c1sc2c(c1Br)C[NH2+]C2)[C@@H](C)CS(C)(=O)=O ZINC000662529874 652466122 /nfs/dbraw/zinc/46/61/22/652466122.db2.gz DWBQGOVFNDHPSN-QMMMGPOBSA-N 1 1 395.344 2.009 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000628744110 652469575 /nfs/dbraw/zinc/46/95/75/652469575.db2.gz PGNAZUGEQNCFIG-AWEZNQCLSA-N 1 1 384.929 2.494 20 0 GEADMO CC(C)(C)N1C[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1=O ZINC000662709498 652471102 /nfs/dbraw/zinc/47/11/02/652471102.db2.gz SEEYYANFWLQAQF-IAQYHMDHSA-N 1 1 382.302 2.212 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662834865 652476168 /nfs/dbraw/zinc/47/61/68/652476168.db2.gz XDUQCTGARGWDGF-PBHICJAKSA-N 1 1 390.281 2.341 20 0 GEADMO CC(=O)N(c1nn(CN2CC[C@@H](c3[nH+]ccn3C)C2)c(=S)s1)C1CC1 ZINC000755788739 652476412 /nfs/dbraw/zinc/47/64/12/652476412.db2.gz HLSNFOIPFJVRTM-GFCCVEGCSA-N 1 1 378.527 2.370 20 0 GEADMO O=S(=O)(c1sccc1Br)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000583254123 652478911 /nfs/dbraw/zinc/47/89/11/652478911.db2.gz UUGAACKUZIRMFK-GFCCVEGCSA-N 1 1 388.312 2.241 20 0 GEADMO CC(C)(C)c1nnc2n1CCN(C(=O)[C@H]([NH3+])c1ccccc1Br)C2 ZINC000662971317 652480059 /nfs/dbraw/zinc/48/00/59/652480059.db2.gz RUTWXOHQFQQRCR-CQSZACIVSA-N 1 1 392.301 2.380 20 0 GEADMO Cc1nnc(CNC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000583417808 652483867 /nfs/dbraw/zinc/48/38/67/652483867.db2.gz APLOETVVLLIJKQ-OAHLLOKOSA-N 1 1 377.539 2.263 20 0 GEADMO Cc1nnc(CNC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000583417808 652483869 /nfs/dbraw/zinc/48/38/69/652483869.db2.gz APLOETVVLLIJKQ-OAHLLOKOSA-N 1 1 377.539 2.263 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC000583502074 652487787 /nfs/dbraw/zinc/48/77/87/652487787.db2.gz ZTTXTXGMWXAULZ-NVXWUHKLSA-N 1 1 381.314 2.442 20 0 GEADMO O[C@@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)CN1CCCC1 ZINC000629559924 652493270 /nfs/dbraw/zinc/49/32/70/652493270.db2.gz VEENIDBAJUEOCF-QAPCUYQASA-N 1 1 382.346 2.322 20 0 GEADMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000629581888 652494021 /nfs/dbraw/zinc/49/40/21/652494021.db2.gz JCDMSTVDYRDCIL-ZBFHGGJFSA-N 1 1 380.330 2.449 20 0 GEADMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCNCC1 ZINC000629581888 652494024 /nfs/dbraw/zinc/49/40/24/652494024.db2.gz JCDMSTVDYRDCIL-ZBFHGGJFSA-N 1 1 380.330 2.449 20 0 GEADMO CCN(C(=O)NCC(=O)Nc1ccc(Br)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000663442449 652500616 /nfs/dbraw/zinc/50/06/16/652500616.db2.gz IJZVKRFLOLYUAR-AWEZNQCLSA-N 1 1 397.317 2.432 20 0 GEADMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630046402 652501354 /nfs/dbraw/zinc/50/13/54/652501354.db2.gz VRYAGEHEFHEZKI-CXAGYDPISA-N 1 1 384.314 2.488 20 0 GEADMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630046402 652501356 /nfs/dbraw/zinc/50/13/56/652501356.db2.gz VRYAGEHEFHEZKI-CXAGYDPISA-N 1 1 384.314 2.488 20 0 GEADMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2nc(C3CC3)ncc2Br)C1 ZINC000663724698 652510304 /nfs/dbraw/zinc/51/03/04/652510304.db2.gz IFUOPBWGPHBDQF-SECBINFHSA-N 1 1 396.318 2.206 20 0 GEADMO O=C(c1cc(Br)c2nccn2c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000630491402 652510725 /nfs/dbraw/zinc/51/07/25/652510725.db2.gz GAEXXUNCUIAPPN-AWEZNQCLSA-N 1 1 393.285 2.034 20 0 GEADMO O=C(NCc1ccccc1Br)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663857190 652513310 /nfs/dbraw/zinc/51/33/10/652513310.db2.gz DXOXISKXXLPHCE-OAHLLOKOSA-N 1 1 382.302 2.190 20 0 GEADMO O=C(NCc1cccc(Br)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663856124 652513331 /nfs/dbraw/zinc/51/33/31/652513331.db2.gz MTCTZBUWCHFFKU-INIZCTEOSA-N 1 1 382.302 2.190 20 0 GEADMO COCCc1ncc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000631061734 652519531 /nfs/dbraw/zinc/51/95/31/652519531.db2.gz FTZBANLCESLGLY-ZDUSSCGKSA-N 1 1 383.539 2.433 20 0 GEADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1F ZINC000631327616 652521994 /nfs/dbraw/zinc/52/19/94/652521994.db2.gz XPJPTBXFVUDRDW-ZDUSSCGKSA-N 1 1 390.286 2.269 20 0 GEADMO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000584664616 652524993 /nfs/dbraw/zinc/52/49/93/652524993.db2.gz KXJFPTVWLOFHSD-LBPRGKRZSA-N 1 1 383.290 2.148 20 0 GEADMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1I ZINC000757926532 652525890 /nfs/dbraw/zinc/52/58/90/652525890.db2.gz MDVNIVKYLGHKGA-CQSZACIVSA-N 1 1 377.222 2.349 20 0 GEADMO CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC[NH+]1CCSCC1 ZINC000757945758 652526529 /nfs/dbraw/zinc/52/65/29/652526529.db2.gz QYCDKSYKIVSOSM-INIZCTEOSA-N 1 1 382.551 2.130 20 0 GEADMO NC(=O)c1cc(Cl)nnc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000758124660 652531157 /nfs/dbraw/zinc/53/11/57/652531157.db2.gz GCWNGIOIWWRNGB-ZDUSSCGKSA-N 1 1 377.901 2.258 20 0 GEADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncncc2Br)C1 ZINC000664628722 652533286 /nfs/dbraw/zinc/53/32/86/652533286.db2.gz SSGRFKQNHQGYOF-HNNXBMFYSA-N 1 1 376.302 2.467 20 0 GEADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ncncc2Br)C1 ZINC000664628722 652533290 /nfs/dbraw/zinc/53/32/90/652533290.db2.gz SSGRFKQNHQGYOF-HNNXBMFYSA-N 1 1 376.302 2.467 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(I)o1 ZINC000758202769 652533615 /nfs/dbraw/zinc/53/36/15/652533615.db2.gz QGVJMFSHDMNAHB-FOSUXSCJSA-N 1 1 386.233 2.496 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000631791711 652534413 /nfs/dbraw/zinc/53/44/13/652534413.db2.gz ZIMDXRFUKXIZJL-UHFFFAOYSA-N 1 1 386.945 2.402 20 0 GEADMO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000631814832 652536152 /nfs/dbraw/zinc/53/61/52/652536152.db2.gz RVDBRVLAPKPTGA-CVEARBPZSA-N 1 1 380.501 2.328 20 0 GEADMO 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GEADMO C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1Br ZINC000635851046 652759225 /nfs/dbraw/zinc/75/92/25/652759225.db2.gz ONEIRNJZFVIRDX-ZDUSSCGKSA-N 1 1 389.315 2.417 20 0 GEADMO O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000763486411 652759611 /nfs/dbraw/zinc/75/96/11/652759611.db2.gz PSSQIVYKCMJGBG-GFCCVEGCSA-N 1 1 381.299 2.387 20 0 GEADMO COC(=O)c1oc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000597047257 652773223 /nfs/dbraw/zinc/77/32/23/652773223.db2.gz BICBDSDHBKHSEL-UHFFFAOYSA-N 1 1 386.857 2.096 20 0 GEADMO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636009337 652773833 /nfs/dbraw/zinc/77/38/33/652773833.db2.gz YXZRVPZPDKXXPO-GJZGRUSLSA-N 1 1 383.330 2.367 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)Nc2cccc(Br)c2F)CC[N@@H+](C)C1 ZINC000597080127 652774077 /nfs/dbraw/zinc/77/40/77/652774077.db2.gz XBSSVVPCIWSIET-JTQLQIEISA-N 1 1 388.237 2.157 20 0 GEADMO Cn1cc[nH+]c1N1CCN(Cc2cccc(I)c2)CC1 ZINC000597250035 652777727 /nfs/dbraw/zinc/77/77/27/652777727.db2.gz 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2.347 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1C(F)F)C2 ZINC000920266480 654206655 /nfs/dbraw/zinc/20/66/55/654206655.db2.gz RVIAFIRHVKPNFC-HLSYRSCKSA-N 1 1 394.509 2.444 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1C(F)F)C2 ZINC000920266483 654207155 /nfs/dbraw/zinc/20/71/55/654207155.db2.gz RVIAFIRHVKPNFC-ZNEHSRBWSA-N 1 1 394.509 2.444 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000920281587 654208489 /nfs/dbraw/zinc/20/84/89/654208489.db2.gz FEDLDEFMRYFZGP-UTJXIGIESA-N 1 1 390.908 2.237 20 0 GEADMO Cc1cccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Cl ZINC000920276360 654208675 /nfs/dbraw/zinc/20/86/75/654208675.db2.gz WMXVTBZTMLUWFS-DTDBQYNISA-N 1 1 386.945 2.406 20 0 GEADMO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000903012289 654209895 /nfs/dbraw/zinc/20/98/95/654209895.db2.gz KIOXOBDWNSFXOY-HNNXBMFYSA-N 1 1 381.325 2.431 20 0 GEADMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903029550 654211106 /nfs/dbraw/zinc/21/11/06/654211106.db2.gz AUGMSMACLJTISX-HUUCEWRRSA-N 1 1 393.285 2.165 20 0 GEADMO C[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@H](C)[N@@H+]1CCO ZINC000831805144 654211275 /nfs/dbraw/zinc/21/12/75/654211275.db2.gz UGYRYDBPRMJEBN-OZVIIMIRSA-N 1 1 375.282 2.009 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@H+]1C ZINC000920404092 654211445 /nfs/dbraw/zinc/21/14/45/654211445.db2.gz LGKFHVZNKJEYRN-YPMHNXCESA-N 1 1 382.306 2.400 20 0 GEADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCn1cnc(Br)n1 ZINC000852014694 654212666 /nfs/dbraw/zinc/21/26/66/654212666.db2.gz RVIBBPXDWNXESM-ZDUSSCGKSA-N 1 1 380.290 2.192 20 0 GEADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCn1cnc(Br)n1 ZINC000852014694 654212670 /nfs/dbraw/zinc/21/26/70/654212670.db2.gz RVIBBPXDWNXESM-ZDUSSCGKSA-N 1 1 380.290 2.192 20 0 GEADMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852017556 654213241 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CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000852142961 654220860 /nfs/dbraw/zinc/22/08/60/654220860.db2.gz FWJGZRPQMXTCAG-OLZOCXBDSA-N 1 1 376.356 2.387 20 0 GEADMO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903206844 654226708 /nfs/dbraw/zinc/22/67/08/654226708.db2.gz UIIDFHDUUNBRNE-GWCFXTLKSA-N 1 1 377.388 2.098 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903212312 654227577 /nfs/dbraw/zinc/22/75/77/654227577.db2.gz WLHZLYDGLBDPIM-HNNXBMFYSA-N 1 1 388.917 2.224 20 0 GEADMO Cc1c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000903213984 654227630 /nfs/dbraw/zinc/22/76/30/654227630.db2.gz RWGMGDASKMOBOE-INIZCTEOSA-N 1 1 380.901 2.303 20 0 GEADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000852241502 654227771 /nfs/dbraw/zinc/22/77/71/654227771.db2.gz HOYRPSYIZYIDMJ-YMXBGEKHSA-N 1 1 379.448 2.117 20 0 GEADMO COc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCCS2 ZINC000903224731 654228486 /nfs/dbraw/zinc/22/84/86/654228486.db2.gz BFTUVDQZPPELNI-CQSZACIVSA-N 1 1 392.568 2.269 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H]2CC2(Cl)Cl)c1 ZINC000920934071 654229150 /nfs/dbraw/zinc/22/91/50/654229150.db2.gz YJIFAPJOLOVRFM-OCCSQVGLSA-N 1 1 385.295 2.452 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H]2CC2(Cl)Cl)c1 ZINC000920934071 654229154 /nfs/dbraw/zinc/22/91/54/654229154.db2.gz YJIFAPJOLOVRFM-OCCSQVGLSA-N 1 1 385.295 2.452 20 0 GEADMO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)ccc1SC ZINC000903229350 654229922 /nfs/dbraw/zinc/22/99/22/654229922.db2.gz GKTARQZRCUIFDA-LLVKDONJSA-N 1 1 380.557 2.125 20 0 GEADMO C[C@]12CC[N@H+](Cc3nnnn3C3CC3)C[C@H]1C2(Br)Br ZINC000852335234 654233029 /nfs/dbraw/zinc/23/30/29/654233029.db2.gz CRVLCQORACEWPX-KOLCDFICSA-N 1 1 391.111 2.336 20 0 GEADMO C[C@]12CC[N@@H+](Cc3nnnn3C3CC3)C[C@H]1C2(Br)Br ZINC000852335234 654233035 /nfs/dbraw/zinc/23/30/35/654233035.db2.gz CRVLCQORACEWPX-KOLCDFICSA-N 1 1 391.111 2.336 20 0 GEADMO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000871397603 654233274 /nfs/dbraw/zinc/23/32/74/654233274.db2.gz WHGJPGSLFHNMFM-BXKDBHETSA-N 1 1 375.288 2.277 20 0 GEADMO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000871397603 654233278 /nfs/dbraw/zinc/23/32/78/654233278.db2.gz WHGJPGSLFHNMFM-BXKDBHETSA-N 1 1 375.288 2.277 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903325173 654234185 /nfs/dbraw/zinc/23/41/85/654234185.db2.gz JZKRJZFLILPTIE-KKUMJFAQSA-N 1 1 379.302 2.314 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903325173 654234189 /nfs/dbraw/zinc/23/41/89/654234189.db2.gz JZKRJZFLILPTIE-KKUMJFAQSA-N 1 1 379.302 2.314 20 0 GEADMO CO[C@@]1(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CCS(=O)(=O)C1 ZINC000903364666 654235897 /nfs/dbraw/zinc/23/58/97/654235897.db2.gz ZYGRIFFXFXHLTF-DGCLKSJQSA-N 1 1 395.344 2.150 20 0 GEADMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000852430908 654238564 /nfs/dbraw/zinc/23/85/64/654238564.db2.gz NLJOGQWJMZUHSD-VXGBXAGGSA-N 1 1 375.252 2.260 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000852433373 654239197 /nfs/dbraw/zinc/23/91/97/654239197.db2.gz UQHLSPSLXOOVCQ-CQSZACIVSA-N 1 1 382.258 2.304 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Br ZINC000852437218 654239941 /nfs/dbraw/zinc/23/99/41/654239941.db2.gz VWFFLKDODAZDRJ-GFCCVEGCSA-N 1 1 382.258 2.304 20 0 GEADMO C[C@](O)(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1F ZINC000852439596 654240336 /nfs/dbraw/zinc/24/03/36/654240336.db2.gz DGHVVSHMXKSBRU-WBMJQRKESA-N 1 1 387.249 2.322 20 0 GEADMO C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000871687614 654252010 /nfs/dbraw/zinc/25/20/10/654252010.db2.gz NJMQWZJHFUHSSV-GFCCVEGCSA-N 1 1 376.448 2.348 20 0 GEADMO C[C@H](NC(=S)NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000871687615 654252077 /nfs/dbraw/zinc/25/20/77/654252077.db2.gz NJMQWZJHFUHSSV-LBPRGKRZSA-N 1 1 376.448 2.348 20 0 GEADMO O[C@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852708000 654255404 /nfs/dbraw/zinc/25/54/04/654255404.db2.gz NXURVCCIPNAHMU-RHSMWYFYSA-N 1 1 387.293 2.153 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000903576110 654259630 /nfs/dbraw/zinc/25/96/30/654259630.db2.gz HMGSSWPGPWPOCF-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO O=C(Nc1cn2cc(Br)ncc2n1)c1cc(C[NH+]2CCCC2)on1 ZINC000832335997 654259761 /nfs/dbraw/zinc/25/97/61/654259761.db2.gz KADQGFXENZOXMA-UHFFFAOYSA-N 1 1 391.229 2.328 20 0 GEADMO CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000852789893 654260831 /nfs/dbraw/zinc/26/08/31/654260831.db2.gz BQHNBDBLYPILED-SMDDNHRTSA-N 1 1 384.274 2.186 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832354153 654261184 /nfs/dbraw/zinc/26/11/84/654261184.db2.gz SMJLIRZSZGWGQJ-LBPRGKRZSA-N 1 1 384.311 2.397 20 0 GEADMO [NH3+][C@H](C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000852823540 654261881 /nfs/dbraw/zinc/26/18/81/654261881.db2.gz OXSQKIQCPSYTHQ-COXVUDFISA-N 1 1 393.281 2.050 20 0 GEADMO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000852879251 654264778 /nfs/dbraw/zinc/26/47/78/654264778.db2.gz CCDAKCUPIIEHOM-LBPRGKRZSA-N 1 1 385.212 2.314 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921474760 654272200 /nfs/dbraw/zinc/27/22/00/654272200.db2.gz HMAQOYWEHRDBTC-UHFFFAOYSA-N 1 1 393.285 2.292 20 0 GEADMO CCn1c(C[NH2+]CCNC(=O)C(C)C)nc(Br)c1Br ZINC000921484243 654273125 /nfs/dbraw/zinc/27/31/25/654273125.db2.gz ILFFSQFYLVIAHW-UHFFFAOYSA-N 1 1 396.127 2.290 20 0 GEADMO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921553349 654280030 /nfs/dbraw/zinc/28/00/30/654280030.db2.gz BNTGLRKKYPRWSP-PMPSAXMXSA-N 1 1 385.599 2.310 20 0 GEADMO CCCNC(=O)CC[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921573820 654283438 /nfs/dbraw/zinc/28/34/38/654283438.db2.gz SYPDMQYNBBDHFV-UHFFFAOYSA-N 1 1 396.127 2.434 20 0 GEADMO CC(C)[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(Br)cc1F)[NH+](C)C ZINC000803695989 654287622 /nfs/dbraw/zinc/28/76/22/654287622.db2.gz RVVMZVGDEGQULF-STQMWFEESA-N 1 1 375.238 2.244 20 0 GEADMO Clc1nc2c(Br)c[nH]c2c(N2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000853451283 654295903 /nfs/dbraw/zinc/29/59/03/654295903.db2.gz FRSYUNAQQMIAOD-SECBINFHSA-N 1 1 386.681 2.285 20 0 GEADMO O=C(CC[NH2+]Cc1nc(Br)c[nH]1)N1CCN(c2ccccc2)CC1 ZINC000921634329 654296500 /nfs/dbraw/zinc/29/65/00/654296500.db2.gz UDEYTGWHEUNXAT-UHFFFAOYSA-N 1 1 392.301 2.001 20 0 GEADMO O=C([C@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1)N1CCOCC1 ZINC000891556835 654300549 /nfs/dbraw/zinc/30/05/49/654300549.db2.gz ZBNSGSHUQSVKHQ-LBPRGKRZSA-N 1 1 377.432 2.319 20 0 GEADMO COCC[C@H]([NH3+])c1nc(Cc2cc(OC)c(OC)cc2Br)no1 ZINC000904100978 654301635 /nfs/dbraw/zinc/30/16/35/654301635.db2.gz JOWMDKWVEAYTHW-NSHDSACASA-N 1 1 386.246 2.476 20 0 GEADMO COCC[C@@H]([NH3+])c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000904112960 654302630 /nfs/dbraw/zinc/30/26/30/654302630.db2.gz OPXRWUNWQNYOFA-SECBINFHSA-N 1 1 399.192 2.025 20 0 GEADMO S=c1n(CN2CC[NH+]([C@@H]3CCOC3)CC2)nc2sc3ccccc3n12 ZINC000853550899 654303076 /nfs/dbraw/zinc/30/30/76/654303076.db2.gz OFLHLRGAJWIJON-CYBMUJFWSA-N 1 1 375.523 2.444 20 0 GEADMO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000891702508 654307620 /nfs/dbraw/zinc/30/76/20/654307620.db2.gz UNPHCEVVNRBRFX-VQIMIIECSA-N 1 1 392.341 2.367 20 0 GEADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(Br)cnc1Cl ZINC000833558781 654307796 /nfs/dbraw/zinc/30/77/96/654307796.db2.gz FGMCKKFHSNISOQ-LLVKDONJSA-N 1 1 376.682 2.074 20 0 GEADMO Cn1ncc(-c2noc([C@H](N)C[N@@H+](C)Cc3ccccc3)n2)c1Br ZINC000872181207 654315990 /nfs/dbraw/zinc/31/59/90/654315990.db2.gz ZFLLIRNMLZXBFH-CYBMUJFWSA-N 1 1 391.273 2.364 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891893534 654317005 /nfs/dbraw/zinc/31/70/05/654317005.db2.gz WTNWUVLYTOMODJ-BETUJISGSA-N 1 1 384.322 2.406 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCSCC(F)(F)F)C2 ZINC000921750038 654318097 /nfs/dbraw/zinc/31/80/97/654318097.db2.gz KHLWXBQWKRHQBI-BHPKHCPMSA-N 1 1 383.480 2.061 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ncc(Br)s1 ZINC000872239875 654318981 /nfs/dbraw/zinc/31/89/81/654318981.db2.gz LXVFCWRBWSSUKY-ZDUSSCGKSA-N 1 1 380.308 2.271 20 0 GEADMO C[C@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255639 654320229 /nfs/dbraw/zinc/32/02/29/654320229.db2.gz KQTWGLCGKUDADU-YYQUZTFQSA-N 1 1 394.313 2.420 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)n[nH]1 ZINC000834424439 654323474 /nfs/dbraw/zinc/32/34/74/654323474.db2.gz ZPATUQSEJRROIM-CQSZACIVSA-N 1 1 393.285 2.193 20 0 GEADMO CCn1c(C[NH2+][C@](C)(CCO)COC)nc(Br)c1Br ZINC000921815850 654326934 /nfs/dbraw/zinc/32/69/34/654326934.db2.gz OGOVHJMFGXWTMN-GFCCVEGCSA-N 1 1 399.127 2.305 20 0 GEADMO Cc1cc(F)ncc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000892046513 654326559 /nfs/dbraw/zinc/32/65/59/654326559.db2.gz SHLBVXCBWKVJAT-UHFFFAOYSA-N 1 1 383.411 2.317 20 0 GEADMO O=C(Cc1cc(Br)ccc1Cl)NCCC[NH+]1CCOCC1 ZINC000905045650 654328302 /nfs/dbraw/zinc/32/83/02/654328302.db2.gz CTRYLFBWWBZDQA-UHFFFAOYSA-N 1 1 375.694 2.484 20 0 GEADMO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921833241 654329368 /nfs/dbraw/zinc/32/93/68/654329368.db2.gz HAIYGQJJQMIBSE-CQSZACIVSA-N 1 1 377.286 2.496 20 0 GEADMO CCn1c(Br)c(Br)nc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000921854560 654331365 /nfs/dbraw/zinc/33/13/65/654331365.db2.gz NGFPZVNQWPRGIX-DTWKUNHWSA-N 1 1 379.096 2.455 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000872430316 654332812 /nfs/dbraw/zinc/33/28/12/654332812.db2.gz PXIVMWVPNZIWOL-DEOSSOPVSA-N 1 1 387.571 2.382 20 0 GEADMO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834592600 654337019 /nfs/dbraw/zinc/33/70/19/654337019.db2.gz NFHXBDPUSNWIOB-NXEZZACHSA-N 1 1 387.278 2.417 20 0 GEADMO C[N@H+](CCNS(=O)(=O)c1cnc(Cl)c(F)c1)Cc1ccc(F)cc1 ZINC000805027212 654337423 /nfs/dbraw/zinc/33/74/23/654337423.db2.gz IQUWPCJVMIDJGZ-UHFFFAOYSA-N 1 1 375.828 2.424 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)c1cnc(Cl)c(F)c1)Cc1ccc(F)cc1 ZINC000805027212 654337426 /nfs/dbraw/zinc/33/74/26/654337426.db2.gz IQUWPCJVMIDJGZ-UHFFFAOYSA-N 1 1 375.828 2.424 20 0 GEADMO OCC[N@H+]1CCCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000892338297 654341243 /nfs/dbraw/zinc/34/12/43/654341243.db2.gz VNKQNEXAKKFIKZ-UHFFFAOYSA-N 1 1 377.286 2.411 20 0 GEADMO CCn1c(C[NH2+][C@@H](C(=O)NC)C(C)C)nc(Br)c1Br ZINC000921915920 654341716 /nfs/dbraw/zinc/34/17/16/654341716.db2.gz NYTRTYNOHCZRPB-SECBINFHSA-N 1 1 396.127 2.288 20 0 GEADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc(C)c1Br ZINC000834710987 654344843 /nfs/dbraw/zinc/34/48/43/654344843.db2.gz HPHDAGSRXPAMOC-LBPRGKRZSA-N 1 1 379.258 2.276 20 0 GEADMO O=C(NCCc1ccccc1Br)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892504874 654348808 /nfs/dbraw/zinc/34/88/08/654348808.db2.gz DMKWYNOZGLPXSO-IAGOWNOFSA-N 1 1 396.329 2.232 20 0 GEADMO CC(=O)N1CC[NH+](Cc2ccc(NCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921974206 654350370 /nfs/dbraw/zinc/35/03/70/654350370.db2.gz MYWXQRJZPSFUKL-UHFFFAOYSA-N 1 1 392.301 2.448 20 0 GEADMO COc1cc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc(Br)c1OC ZINC000892556002 654351384 /nfs/dbraw/zinc/35/13/84/654351384.db2.gz YLNMFHXVJCDEKD-OCCSQVGLSA-N 1 1 398.301 2.312 20 0 GEADMO O=C(NCc1ccc(Br)cn1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000892619692 654353927 /nfs/dbraw/zinc/35/39/27/654353927.db2.gz NOCJQDYRWYCIQK-OAHLLOKOSA-N 1 1 376.258 2.095 20 0 GEADMO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905397941 654355560 /nfs/dbraw/zinc/35/55/60/654355560.db2.gz DNVSLHPPOMURCT-GFCCVEGCSA-N 1 1 379.258 2.193 20 0 GEADMO CCC[N@H+](C)[C@@H](CNC(=O)[C@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451023 654358257 /nfs/dbraw/zinc/35/82/57/654358257.db2.gz CHNKPQMUTJNXNP-RDJZCZTQSA-N 1 1 390.908 2.366 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451023 654358259 /nfs/dbraw/zinc/35/82/59/654358259.db2.gz CHNKPQMUTJNXNP-RDJZCZTQSA-N 1 1 390.908 2.366 20 0 GEADMO C[N@@H+](C[C@H](O)CNCc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478882 654360106 /nfs/dbraw/zinc/36/01/06/654360106.db2.gz OYEIJRKSDBNFQU-QGZVFWFLSA-N 1 1 379.302 2.180 20 0 GEADMO Cn1cc(C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)c(Br)n1 ZINC000905516355 654362301 /nfs/dbraw/zinc/36/23/01/654362301.db2.gz MBEOEDBHIAEJTM-CYBMUJFWSA-N 1 1 379.258 2.193 20 0 GEADMO C[C@@H](NC(=S)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccs1 ZINC000905556726 654366039 /nfs/dbraw/zinc/36/60/39/654366039.db2.gz WHPPQQUHYCHFMK-HZPDHXFCSA-N 1 1 382.599 2.070 20 0 GEADMO O=C(NCc1ccc(Br)cc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892873518 654368091 /nfs/dbraw/zinc/36/80/91/654368091.db2.gz ROVIJDDBYLDDRE-JKSUJKDBSA-N 1 1 382.302 2.190 20 0 GEADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000905598030 654368989 /nfs/dbraw/zinc/36/89/89/654368989.db2.gz LPUOFIIEWDGKOT-OUAUKWLOSA-N 1 1 375.724 2.112 20 0 GEADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000905598030 654368997 /nfs/dbraw/zinc/36/89/97/654368997.db2.gz LPUOFIIEWDGKOT-OUAUKWLOSA-N 1 1 375.724 2.112 20 0 GEADMO Cc1cc(Br)cc2c(C(=O)NCC[N@H+](C)CCOCCO)coc21 ZINC000922118067 654369061 /nfs/dbraw/zinc/36/90/61/654369061.db2.gz XOOJOMQALDILOS-UHFFFAOYSA-N 1 1 399.285 2.174 20 0 GEADMO O[C@H](C[NH2+]Cc1noc2c1COCC2)COc1cccc(Br)c1 ZINC000905635857 654371250 /nfs/dbraw/zinc/37/12/50/654371250.db2.gz AZDBGAPCVWBVQI-GFCCVEGCSA-N 1 1 383.242 2.039 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000854642947 654372854 /nfs/dbraw/zinc/37/28/54/654372854.db2.gz OZXIKINTCVTBMG-OLZOCXBDSA-N 1 1 388.693 2.433 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000835268235 654376432 /nfs/dbraw/zinc/37/64/32/654376432.db2.gz QGUFYPQHQPNBTD-QWHCGFSZSA-N 1 1 395.301 2.034 20 0 GEADMO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922263039 654380083 /nfs/dbraw/zinc/38/00/83/654380083.db2.gz OGVIYUAKINZQDD-AWEZNQCLSA-N 1 1 387.571 2.413 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835357049 654383164 /nfs/dbraw/zinc/38/31/64/654383164.db2.gz SFCDGHLHOASDHR-LBPRGKRZSA-N 1 1 385.306 2.328 20 0 GEADMO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCOc4ccc(Br)cc43)C2=O)cn1 ZINC000905854976 654385069 /nfs/dbraw/zinc/38/50/69/654385069.db2.gz YPIMEUPNPDHGLH-LSDHHAIUSA-N 1 1 391.269 2.401 20 0 GEADMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1csc(I)n1 ZINC000854846102 654385513 /nfs/dbraw/zinc/38/55/13/654385513.db2.gz RPZXBCQUTKYKMT-SECBINFHSA-N 1 1 379.267 2.304 20 0 GEADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1csc(I)n1 ZINC000854846102 654385518 /nfs/dbraw/zinc/38/55/18/654385518.db2.gz RPZXBCQUTKYKMT-SECBINFHSA-N 1 1 379.267 2.304 20 0 GEADMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000872662084 654386716 /nfs/dbraw/zinc/38/67/16/654386716.db2.gz FTXMHQZPUBEBOS-CHWSQXEVSA-N 1 1 377.279 2.445 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000872662084 654386719 /nfs/dbraw/zinc/38/67/19/654386719.db2.gz FTXMHQZPUBEBOS-CHWSQXEVSA-N 1 1 377.279 2.445 20 0 GEADMO COCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)o1 ZINC000893179146 654387571 /nfs/dbraw/zinc/38/75/71/654387571.db2.gz LDYHYRJJSJUCJZ-UHFFFAOYSA-N 1 1 394.902 2.088 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1Br ZINC000872666559 654387685 /nfs/dbraw/zinc/38/76/85/654387685.db2.gz VTZKOAZDCRPRCY-UONOGXRCSA-N 1 1 389.315 2.315 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666658 654388314 /nfs/dbraw/zinc/38/83/14/654388314.db2.gz XVZZJRQRYRBTTO-CHWSQXEVSA-N 1 1 377.279 2.445 20 0 GEADMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000872682520 654390513 /nfs/dbraw/zinc/39/05/13/654390513.db2.gz ZKOCQGLIDGLSIV-HZSPNIEDSA-N 1 1 382.302 2.480 20 0 GEADMO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000872682525 654390579 /nfs/dbraw/zinc/39/05/79/654390579.db2.gz ZKOCQGLIDGLSIV-RDBSUJKOSA-N 1 1 382.302 2.480 20 0 GEADMO COc1nsc(C[NH2+]C[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)c1Br ZINC000922408312 654390872 /nfs/dbraw/zinc/39/08/72/654390872.db2.gz MNXDDKAQKDIDNJ-KWQFWETISA-N 1 1 388.291 2.208 20 0 GEADMO C[N@H+]1CC[C@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000872724862 654393499 /nfs/dbraw/zinc/39/34/99/654393499.db2.gz YYXDCAIZCFCQJF-GXFFZTMASA-N 1 1 384.249 2.480 20 0 GEADMO O=C1COc2ccccc2CN1CC[NH2+]Cc1ncc(Br)s1 ZINC000922459975 654395165 /nfs/dbraw/zinc/39/51/65/654395165.db2.gz AUDQZBGVGOFQTP-UHFFFAOYSA-N 1 1 382.283 2.416 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905983938 654396462 /nfs/dbraw/zinc/39/64/62/654396462.db2.gz IESBWMYRDQCWOY-IJLUTSLNSA-N 1 1 382.302 2.499 20 0 GEADMO Cc1ccc(-c2ncc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)s2)cc1 ZINC000922492294 654397297 /nfs/dbraw/zinc/39/72/97/654397297.db2.gz NQGRSYTUUBDMQI-UHFFFAOYSA-N 1 1 387.552 2.266 20 0 GEADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000922510025 654398719 /nfs/dbraw/zinc/39/87/19/654398719.db2.gz FIWHPAFUTDWQQA-AWEZNQCLSA-N 1 1 377.242 2.024 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000855162298 654399111 /nfs/dbraw/zinc/39/91/11/654399111.db2.gz WFZHERLYACBWEQ-LLVKDONJSA-N 1 1 380.290 2.342 20 0 GEADMO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000922637055 654405337 /nfs/dbraw/zinc/40/53/37/654405337.db2.gz MVYWFDKIYKNGNV-UHFFFAOYSA-N 1 1 392.344 2.476 20 0 GEADMO Cc1ccc(N2CCC(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)[nH+]c1 ZINC000855272762 654406542 /nfs/dbraw/zinc/40/65/42/654406542.db2.gz KCZPHNUVTAJUGD-RUZDIDTESA-N 1 1 377.432 2.034 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922709373 654408774 /nfs/dbraw/zinc/40/87/74/654408774.db2.gz MDYOVWFRHKKQCU-CNRIWFPOSA-N 1 1 378.344 2.349 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000855287862 654410657 /nfs/dbraw/zinc/41/06/57/654410657.db2.gz WKBDIVVIOZOWEP-LBPRGKRZSA-N 1 1 387.933 2.193 20 0 GEADMO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873080207 654413391 /nfs/dbraw/zinc/41/33/91/654413391.db2.gz LJHFMPRHSUPDPI-JTQLQIEISA-N 1 1 383.226 2.097 20 0 GEADMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855345565 654414092 /nfs/dbraw/zinc/41/40/92/654414092.db2.gz CZHIJYGHYKNQKP-LRDDRELGSA-N 1 1 376.328 2.415 20 0 GEADMO CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000855361973 654414981 /nfs/dbraw/zinc/41/49/81/654414981.db2.gz XNMLWJWKRIZOND-AWEZNQCLSA-N 1 1 385.917 2.046 20 0 GEADMO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873104729 654415333 /nfs/dbraw/zinc/41/53/33/654415333.db2.gz QRFWFCAJKSREIO-NSHDSACASA-N 1 1 397.253 2.487 20 0 GEADMO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2I)CS1(=O)=O ZINC000873137549 654417971 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Cn1ncc(I)c1CNCC[N@@H+](C)C1CCCCC1 ZINC000894207187 654455798 /nfs/dbraw/zinc/45/57/98/654455798.db2.gz SFTKDFZFPQDROI-UHFFFAOYSA-N 1 1 376.286 2.379 20 0 GEADMO O=C(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)NCc1ccccc1 ZINC000894210733 654456303 /nfs/dbraw/zinc/45/63/03/654456303.db2.gz GGUZZSJHJVOCNL-UHFFFAOYSA-N 1 1 380.901 2.039 20 0 GEADMO Cn1nc(Br)nc1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000894209168 654456316 /nfs/dbraw/zinc/45/63/16/654456316.db2.gz PCYIFLIETQTIRO-JTQLQIEISA-N 1 1 379.180 2.420 20 0 GEADMO CC[C@H]([NH2+]Cc1nc(Br)nn1C)[C@H](O)c1c(F)cccc1F ZINC000894296838 654463216 /nfs/dbraw/zinc/46/32/16/654463216.db2.gz AMAKPTINELSHQM-GWCFXTLKSA-N 1 1 375.217 2.458 20 0 GEADMO CC[C@@H]([NH2+]Cc1nc(Br)nn1C)[C@@H](O)c1c(F)cccc1F ZINC000894296849 654463277 /nfs/dbraw/zinc/46/32/77/654463277.db2.gz AMAKPTINELSHQM-ZWNOBZJWSA-N 1 1 375.217 2.458 20 0 GEADMO Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1Br ZINC000894351002 654468163 /nfs/dbraw/zinc/46/81/63/654468163.db2.gz 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654478206 /nfs/dbraw/zinc/47/82/06/654478206.db2.gz PJCXDLBNTYUIPX-UHFFFAOYSA-N 1 1 379.917 2.214 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873895767 654478765 /nfs/dbraw/zinc/47/87/65/654478765.db2.gz CZQZXYVFOPFHHW-CYBMUJFWSA-N 1 1 396.285 2.143 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873895767 654478767 /nfs/dbraw/zinc/47/87/67/654478767.db2.gz CZQZXYVFOPFHHW-CYBMUJFWSA-N 1 1 396.285 2.143 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000873916288 654482042 /nfs/dbraw/zinc/48/20/42/654482042.db2.gz RRHFXIOYDBLXQX-LBPRGKRZSA-N 1 1 398.301 2.244 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000873923175 654483132 /nfs/dbraw/zinc/48/31/32/654483132.db2.gz UUZFXVSDVSMGHF-CYBMUJFWSA-N 1 1 396.285 2.143 20 0 GEADMO C[NH+]1CCC(OCC(=O)OCc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000923788074 654483448 /nfs/dbraw/zinc/48/34/48/654483448.db2.gz BYCKEJLTAFIWQA-UHFFFAOYSA-N 1 1 382.258 2.479 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)oc1Cl ZINC000906904594 654485378 /nfs/dbraw/zinc/48/53/78/654485378.db2.gz NSONLPZZISXLBJ-UHFFFAOYSA-N 1 1 392.905 2.461 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000873939409 654485914 /nfs/dbraw/zinc/48/59/14/654485914.db2.gz BCCCBDUAQRLAAQ-ZDUSSCGKSA-N 1 1 396.285 2.143 20 0 GEADMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C(=O)OC)c2)cc1 ZINC000894562285 654486622 /nfs/dbraw/zinc/48/66/22/654486622.db2.gz HLZHONJNAJELRK-UHFFFAOYSA-N 1 1 383.491 2.245 20 0 GEADMO C[NH+]1CCN(C(=O)c2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000856723571 654486751 /nfs/dbraw/zinc/48/67/51/654486751.db2.gz XSWLESNEJRSBCK-UHFFFAOYSA-N 1 1 390.285 2.239 20 0 GEADMO O=C(NCc1ccsc1Br)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894648082 654492388 /nfs/dbraw/zinc/49/23/88/654492388.db2.gz DTZKLIHGZLXIBT-OLZOCXBDSA-N 1 1 388.331 2.251 20 0 GEADMO O=C(NCc1ncc(Br)s1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000923946591 654492382 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CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000932251172 654772586 /nfs/dbraw/zinc/77/25/86/654772586.db2.gz GWDVNUWRZLSYIR-WFASDCNBSA-N 1 1 388.331 2.263 20 0 GEADMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000932251172 654772588 /nfs/dbraw/zinc/77/25/88/654772588.db2.gz GWDVNUWRZLSYIR-WFASDCNBSA-N 1 1 388.331 2.263 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932260603 654773262 /nfs/dbraw/zinc/77/32/62/654773262.db2.gz GCYBCEQCMPYUFE-CYBMUJFWSA-N 1 1 395.253 2.006 20 0 GEADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912949379 654776446 /nfs/dbraw/zinc/77/64/46/654776446.db2.gz RPKBVJRIAHBIHW-HNNXBMFYSA-N 1 1 385.302 2.100 20 0 GEADMO COc1ncc(C(=O)NC(C)(C)CC[NH+]2CCOCC2)cc1Br ZINC000912948962 654776539 /nfs/dbraw/zinc/77/65/39/654776539.db2.gz JNCSVLVOGLRDDD-UHFFFAOYSA-N 1 1 386.290 2.083 20 0 GEADMO Cn1ncc(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c1Cl ZINC000932414845 654776828 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O=S1(=O)CCC[C@H]1C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932815129 654791882 /nfs/dbraw/zinc/79/18/82/654791882.db2.gz MAQDFXXDZVOJSH-HOTGVXAUSA-N 1 1 388.327 2.310 20 0 GEADMO O=S1(=O)CCC[C@H]1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932815129 654791885 /nfs/dbraw/zinc/79/18/85/654791885.db2.gz MAQDFXXDZVOJSH-HOTGVXAUSA-N 1 1 388.327 2.310 20 0 GEADMO O=c1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)nc2ccc(Cl)cn12 ZINC000932827508 654792750 /nfs/dbraw/zinc/79/27/50/654792750.db2.gz YVEMXBWCHUONRA-UHFFFAOYSA-N 1 1 375.778 2.485 20 0 GEADMO Cc1ccc(Br)c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000932914488 654794145 /nfs/dbraw/zinc/79/41/45/654794145.db2.gz WIORJFLOVOEGOF-AWEZNQCLSA-N 1 1 381.318 2.005 20 0 GEADMO COc1ncc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1Br ZINC000932947114 654795719 /nfs/dbraw/zinc/79/57/19/654795719.db2.gz YVOTXQNITNJNIZ-VXGBXAGGSA-N 1 1 399.289 2.146 20 0 GEADMO Cc1csc(C[C@H]2CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124599 654802996 /nfs/dbraw/zinc/80/29/96/654802996.db2.gz AKDVNQSBLPLAGB-LLVKDONJSA-N 1 1 378.420 2.094 20 0 GEADMO COC(=O)Cn1cc(CC[N@@H+]2CCc3cc(C)c(Br)cc3C2)nn1 ZINC000933130903 654803281 /nfs/dbraw/zinc/80/32/81/654803281.db2.gz FYKCDVMFXDRBFC-UHFFFAOYSA-N 1 1 393.285 2.123 20 0 GEADMO COC(=O)Cn1cc(CC[N@H+]2CCc3cc(C)c(Br)cc3C2)nn1 ZINC000933130903 654803283 /nfs/dbraw/zinc/80/32/83/654803283.db2.gz FYKCDVMFXDRBFC-UHFFFAOYSA-N 1 1 393.285 2.123 20 0 GEADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c(Cl)cccc1C(F)(F)F ZINC000913683786 654804168 /nfs/dbraw/zinc/80/41/68/654804168.db2.gz SHLDOSSNDDHIEU-UHFFFAOYSA-N 1 1 377.794 2.205 20 0 GEADMO CO[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1ccccc1Br ZINC000913694769 654804656 /nfs/dbraw/zinc/80/46/56/654804656.db2.gz DDQWAMQIPCXIGD-KRWDZBQOSA-N 1 1 399.329 2.443 20 0 GEADMO O=C(c1cnc(Cl)c(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913694370 654804663 /nfs/dbraw/zinc/80/46/63/654804663.db2.gz NCJSHDJZEHRGNJ-UHFFFAOYSA-N 1 1 390.709 2.418 20 0 GEADMO Cc1sc(Br)nc1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913693598 654804711 /nfs/dbraw/zinc/80/47/11/654804711.db2.gz IMJKDQWZZIZGBS-UHFFFAOYSA-N 1 1 376.320 2.134 20 0 GEADMO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cc(Cl)cc2c1OCC2 ZINC000933278078 654806094 /nfs/dbraw/zinc/80/60/94/654806094.db2.gz DALMVXDRPHNEEN-QMMMGPOBSA-N 1 1 379.766 2.314 20 0 GEADMO CCOC(=O)CS[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(F)(F)F ZINC000913766534 654808453 /nfs/dbraw/zinc/80/84/53/654808453.db2.gz GIXLCEUAKCNNDP-YNEHKIRRSA-N 1 1 382.448 2.347 20 0 GEADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccncc2Br)C1 ZINC000913807269 654810228 /nfs/dbraw/zinc/81/02/28/654810228.db2.gz BCVKUPJEOVEWNE-OLZOCXBDSA-N 1 1 398.301 2.296 20 0 GEADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccncc2Br)C1 ZINC000913807269 654810229 /nfs/dbraw/zinc/81/02/29/654810229.db2.gz BCVKUPJEOVEWNE-OLZOCXBDSA-N 1 1 398.301 2.296 20 0 GEADMO C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)[C@H]1C[N@@H+](C)CCN1C ZINC000933388421 654811311 /nfs/dbraw/zinc/81/13/11/654811311.db2.gz SRNACGDJXAUKPH-NOZJJQNGSA-N 1 1 376.245 2.091 20 0 GEADMO C[C@H](NC(=O)c1cc(F)cc(Br)c1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000933388425 654811418 /nfs/dbraw/zinc/81/14/18/654811418.db2.gz SRNACGDJXAUKPH-ZANVPECISA-N 1 1 376.245 2.091 20 0 GEADMO CC(C)(C)n1nnnc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437616 654813249 /nfs/dbraw/zinc/81/32/49/654813249.db2.gz AHUYIVIVQWMELL-MRXNPFEDSA-N 1 1 382.306 2.274 20 0 GEADMO CC(F)(F)CCCS(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000913937818 654817258 /nfs/dbraw/zinc/81/72/58/654817258.db2.gz BXKDZAMQYZPXMB-UHFFFAOYSA-N 1 1 376.469 2.374 20 0 GEADMO O=C1NCCN1CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000933576171 654817339 /nfs/dbraw/zinc/81/73/39/654817339.db2.gz JCHOXSMAPFRTOO-UHFFFAOYSA-N 1 1 396.285 2.415 20 0 GEADMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703191 654820759 /nfs/dbraw/zinc/82/07/59/654820759.db2.gz FUBDJPYSFPNWOK-OCCSQVGLSA-N 1 1 382.917 2.191 20 0 GEADMO COCC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 ZINC000933926086 654830823 /nfs/dbraw/zinc/83/08/23/654830823.db2.gz QSXPLSUPWJOJFL-UHFFFAOYSA-N 1 1 383.905 2.442 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914162893 654830882 /nfs/dbraw/zinc/83/08/82/654830882.db2.gz SNGAHCLRONOEGK-LBPRGKRZSA-N 1 1 394.317 2.402 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2Br)CC[N@H+]1C ZINC000914185086 654833584 /nfs/dbraw/zinc/83/35/84/654833584.db2.gz UTYUMQDZXGJNOT-ZWNOBZJWSA-N 1 1 379.295 2.490 20 0 GEADMO O=C(Nc1nc2ccc3scnc3c2s1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000934009825 654834238 /nfs/dbraw/zinc/83/42/38/654834238.db2.gz NPCIRMHLZKGMLC-SNVBAGLBSA-N 1 1 375.479 2.189 20 0 GEADMO O=C(Nc1nc2ccc3scnc3c2s1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000934009825 654834239 /nfs/dbraw/zinc/83/42/39/654834239.db2.gz NPCIRMHLZKGMLC-SNVBAGLBSA-N 1 1 375.479 2.189 20 0 GEADMO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914254611 654839162 /nfs/dbraw/zinc/83/91/62/654839162.db2.gz OEKLLFPWYIBYFP-YYUOZPCZSA-N 1 1 399.460 2.304 20 0 GEADMO OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000934253643 654840122 /nfs/dbraw/zinc/84/01/22/654840122.db2.gz FYESLDOLAOJNMD-VHSSKADRSA-N 1 1 389.323 2.264 20 0 GEADMO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000934253643 654840124 /nfs/dbraw/zinc/84/01/24/654840124.db2.gz FYESLDOLAOJNMD-VHSSKADRSA-N 1 1 389.323 2.264 20 0 GEADMO OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000934253643 654840127 /nfs/dbraw/zinc/84/01/27/654840127.db2.gz FYESLDOLAOJNMD-VHSSKADRSA-N 1 1 389.323 2.264 20 0 GEADMO OCC[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1cn2cc(Br)ccc2n1 ZINC000934256624 654840240 /nfs/dbraw/zinc/84/02/40/654840240.db2.gz CRPMECGDYWATRP-JKSUJKDBSA-N 1 1 379.302 2.128 20 0 GEADMO Cc1c(Br)cncc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000934260145 654840787 /nfs/dbraw/zinc/84/07/87/654840787.db2.gz KLJILFNBSYAPJJ-ZDUSSCGKSA-N 1 1 383.290 2.339 20 0 GEADMO Cc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000934260847 654840859 /nfs/dbraw/zinc/84/08/59/654840859.db2.gz OGWAWGXHWCTEDK-SJORKVTESA-N 1 1 396.329 2.227 20 0 GEADMO COC(=O)c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934268204 654842116 /nfs/dbraw/zinc/84/21/16/654842116.db2.gz IAKUOCVEPLQJJW-IRXDYDNUSA-N 1 1 397.313 2.267 20 0 GEADMO Cn1nccc1CC[N@@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325499 654844421 /nfs/dbraw/zinc/84/44/21/654844421.db2.gz PFVOIOKDNDJSNU-UHFFFAOYSA-N 1 1 378.196 2.456 20 0 GEADMO Cn1nccc1CC[N@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325499 654844423 /nfs/dbraw/zinc/84/44/23/654844423.db2.gz PFVOIOKDNDJSNU-UHFFFAOYSA-N 1 1 378.196 2.456 20 0 GEADMO C[C@@](O)(C[N@@H+]1CC[C@H](Cc2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000934333489 654844984 /nfs/dbraw/zinc/84/49/84/654844984.db2.gz PCTCEXSNXHZYHT-RDTXWAMCSA-N 1 1 380.535 2.319 20 0 GEADMO C[C@@](O)(C[N@H+]1CC[C@H](Cc2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000934333489 654844987 /nfs/dbraw/zinc/84/49/87/654844987.db2.gz PCTCEXSNXHZYHT-RDTXWAMCSA-N 1 1 380.535 2.319 20 0 GEADMO O=C(CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)Nc1ccc(Cl)cc1 ZINC000914325308 654845169 /nfs/dbraw/zinc/84/51/69/654845169.db2.gz GUFYFIGTTIFZKP-HUUCEWRRSA-N 1 1 382.917 2.158 20 0 GEADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cnc(Br)cn1 ZINC000914356613 654847970 /nfs/dbraw/zinc/84/79/70/654847970.db2.gz LOYHJIZWFUENLW-XQQFMLRXSA-N 1 1 384.322 2.405 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914727123 654857041 /nfs/dbraw/zinc/85/70/41/654857041.db2.gz NIVXVRLZPNCMBY-UHFFFAOYSA-N 1 1 378.274 2.196 20 0 GEADMO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000934750599 654857908 /nfs/dbraw/zinc/85/79/08/654857908.db2.gz RIWMXBJJDRZQAF-IVCQMTBJSA-N 1 1 375.485 2.285 20 0 GEADMO C[C@@](O)(C[NH2+][C@H](CO)c1ccccc1I)C(F)(F)F ZINC000934826620 654861661 /nfs/dbraw/zinc/86/16/61/654861661.db2.gz GWJRVQVCVHQMRO-GHMZBOCLSA-N 1 1 389.155 2.228 20 0 GEADMO CC[NH+]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000915059075 654861691 /nfs/dbraw/zinc/86/16/91/654861691.db2.gz BSUHFLALVRAMKR-UHFFFAOYSA-N 1 1 378.523 2.092 20 0 GEADMO O=C1O[C@@H](C[NH2+][C@H](CO)c2ccccc2I)CC12CC2 ZINC000934827719 654861911 /nfs/dbraw/zinc/86/19/11/654861911.db2.gz HPNFANMMZBGTDL-ZWNOBZJWSA-N 1 1 387.217 2.010 20 0 GEADMO O=C(NCc1noc(-c2cccs2)n1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000915211138 654865594 /nfs/dbraw/zinc/86/55/94/654865594.db2.gz TWGSEYUCCJSADP-NWDGAFQWSA-N 1 1 379.511 2.177 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000935002184 654870315 /nfs/dbraw/zinc/87/03/15/654870315.db2.gz QZXPMDNYQBWOEV-CYBMUJFWSA-N 1 1 384.318 2.246 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000915590857 654874101 /nfs/dbraw/zinc/87/41/01/654874101.db2.gz MANVBNCAFDRAFB-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3cccc(F)c3Br)C2)C1 ZINC000915850191 654880826 /nfs/dbraw/zinc/88/08/26/654880826.db2.gz 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COC[C@](C)(CCO)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000132516314 532217050 /nfs/dbraw/zinc/21/70/50/532217050.db2.gz JCWMHNFKHCNLMQ-ZDUSSCGKSA-N 1 1 376.276 2.438 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000131614370 532201241 /nfs/dbraw/zinc/20/12/41/532201241.db2.gz NQEWQNXMOKDWHO-HIFRSBDPSA-N 1 1 385.302 2.132 20 0 GEADMO O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCN1CC[NH+](CCO)CC1 ZINC000131735950 532202511 /nfs/dbraw/zinc/20/25/11/532202511.db2.gz PDADGPWSIUJGBP-UHFFFAOYSA-N 1 1 388.339 2.042 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cncc(I)c3)CC[C@@H]21 ZINC000133357730 532232439 /nfs/dbraw/zinc/23/24/39/532232439.db2.gz WENRTKOMDSYYQI-RISCZKNCSA-N 1 1 385.249 2.243 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179652351 532240103 /nfs/dbraw/zinc/24/01/03/532240103.db2.gz ZIWXYCGLVYDCMD-LBPRGKRZSA-N 1 1 380.290 2.296 20 0 GEADMO C[NH+]1CCN(c2ncc(CNCc3cc(Br)ccc3F)cn2)CC1 ZINC000133780824 532242444 /nfs/dbraw/zinc/24/24/44/532242444.db2.gz VUCOQZKWSCHWKE-UHFFFAOYSA-N 1 1 394.292 2.420 20 0 GEADMO CCOc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000179818932 532245271 /nfs/dbraw/zinc/24/52/71/532245271.db2.gz QBZHXCVKTQZVGZ-UHFFFAOYSA-N 1 1 377.304 2.174 20 0 GEADMO CCOc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1Br ZINC000179818932 532245272 /nfs/dbraw/zinc/24/52/72/532245272.db2.gz QBZHXCVKTQZVGZ-UHFFFAOYSA-N 1 1 377.304 2.174 20 0 GEADMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccnc1Br)C2 ZINC000179817158 532245368 /nfs/dbraw/zinc/24/53/68/532245368.db2.gz AMSASNNLCCERAY-QWHCGFSZSA-N 1 1 395.301 2.256 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(Br)n1 ZINC000179886443 532248845 /nfs/dbraw/zinc/24/88/45/532248845.db2.gz LOZLMHHXDQZBQD-ZDUSSCGKSA-N 1 1 397.317 2.185 20 0 GEADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)C1 ZINC000134076180 532248976 /nfs/dbraw/zinc/24/89/76/532248976.db2.gz JPIYNTZYGXZFRV-MRXNPFEDSA-N 1 1 382.302 2.008 20 0 GEADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)cc2)C1 ZINC000134076180 532248981 /nfs/dbraw/zinc/24/89/81/532248981.db2.gz JPIYNTZYGXZFRV-MRXNPFEDSA-N 1 1 382.302 2.008 20 0 GEADMO COC(=O)c1coc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000134174826 532251289 /nfs/dbraw/zinc/25/12/89/532251289.db2.gz JISUHCFASDPDSU-ZDUSSCGKSA-N 1 1 384.479 2.243 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2C)cc1Cl ZINC000133527707 532237630 /nfs/dbraw/zinc/23/76/30/532237630.db2.gz FHVNYSVFOWCNKL-UHFFFAOYSA-N 1 1 385.873 2.390 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179623165 532238788 /nfs/dbraw/zinc/23/87/88/532238788.db2.gz SFGQCOJAUSMOGL-ZDUSSCGKSA-N 1 1 380.290 2.438 20 0 GEADMO CCN1CC[NH+](CCC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000180362616 532269693 /nfs/dbraw/zinc/26/96/93/532269693.db2.gz FKMWLBVMSGMKTP-UHFFFAOYSA-N 1 1 383.334 2.005 20 0 GEADMO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000135314645 532270032 /nfs/dbraw/zinc/27/00/32/532270032.db2.gz KOIGZZOIMCRVLD-FMKPAKJESA-N 1 1 387.571 2.253 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000180390847 532270760 /nfs/dbraw/zinc/27/07/60/532270760.db2.gz LYQRBXSAGBBVNN-LBPRGKRZSA-N 1 1 399.285 2.167 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000180390847 532270764 /nfs/dbraw/zinc/27/07/64/532270764.db2.gz LYQRBXSAGBBVNN-LBPRGKRZSA-N 1 1 399.285 2.167 20 0 GEADMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000134360173 532254558 /nfs/dbraw/zinc/25/45/58/532254558.db2.gz HKMJFHUPOQVTPJ-HNNXBMFYSA-N 1 1 391.331 2.230 20 0 GEADMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000134360173 532254562 /nfs/dbraw/zinc/25/45/62/532254562.db2.gz HKMJFHUPOQVTPJ-HNNXBMFYSA-N 1 1 391.331 2.230 20 0 GEADMO COCC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H](C)C(N)=O ZINC000180072825 532256359 /nfs/dbraw/zinc/25/63/59/532256359.db2.gz UVGVVJWOBCPLFU-VIFPVBQESA-N 1 1 381.217 2.373 20 0 GEADMO COCC[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H](C)C(N)=O ZINC000180072825 532256361 /nfs/dbraw/zinc/25/63/61/532256361.db2.gz UVGVVJWOBCPLFU-VIFPVBQESA-N 1 1 381.217 2.373 20 0 GEADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134471021 532257345 /nfs/dbraw/zinc/25/73/45/532257345.db2.gz BQMLFCPFPDWYET-UWVGGRQHSA-N 1 1 379.404 2.019 20 0 GEADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134471021 532257350 /nfs/dbraw/zinc/25/73/50/532257350.db2.gz BQMLFCPFPDWYET-UWVGGRQHSA-N 1 1 379.404 2.019 20 0 GEADMO O=C(COc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000134966946 532264595 /nfs/dbraw/zinc/26/45/95/532264595.db2.gz FASFWFQNZBQMRA-ZIAGYGMSSA-N 1 1 383.286 2.197 20 0 GEADMO O=C(COc1ccccc1Br)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000134966946 532264599 /nfs/dbraw/zinc/26/45/99/532264599.db2.gz FASFWFQNZBQMRA-ZIAGYGMSSA-N 1 1 383.286 2.197 20 0 GEADMO C[N@H+](CC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000135018802 532265958 /nfs/dbraw/zinc/26/59/58/532265958.db2.gz CVDAKEMNTGCEFJ-ZDUSSCGKSA-N 1 1 375.416 2.355 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000135018802 532265961 /nfs/dbraw/zinc/26/59/61/532265961.db2.gz CVDAKEMNTGCEFJ-ZDUSSCGKSA-N 1 1 375.416 2.355 20 0 GEADMO O=S1(=O)CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296459 532269672 /nfs/dbraw/zinc/26/96/72/532269672.db2.gz WLBLGTNAHXIREG-MRVPVSSYSA-N 1 1 398.120 2.131 20 0 GEADMO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)s1 ZINC000180601231 532275569 /nfs/dbraw/zinc/27/55/69/532275569.db2.gz ZXMBSYBRIWCHDZ-GFCCVEGCSA-N 1 1 390.347 2.493 20 0 GEADMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Br)s1 ZINC000180601231 532275573 /nfs/dbraw/zinc/27/55/73/532275573.db2.gz ZXMBSYBRIWCHDZ-GFCCVEGCSA-N 1 1 390.347 2.493 20 0 GEADMO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000135764068 532279670 /nfs/dbraw/zinc/27/96/70/532279670.db2.gz GDLSQUWZXQZGMJ-HNNXBMFYSA-N 1 1 381.325 2.383 20 0 GEADMO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000180884679 532285044 /nfs/dbraw/zinc/28/50/44/532285044.db2.gz LQJQFTFTXMARLK-GFCCVEGCSA-N 1 1 383.539 2.224 20 0 GEADMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000137115210 532288435 /nfs/dbraw/zinc/28/84/35/532288435.db2.gz PIQPYSAUYJQMRL-CYBMUJFWSA-N 1 1 384.325 2.488 20 0 GEADMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000137115210 532288442 /nfs/dbraw/zinc/28/84/42/532288442.db2.gz PIQPYSAUYJQMRL-CYBMUJFWSA-N 1 1 384.325 2.488 20 0 GEADMO CCOCCNC(=O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180475082 532272771 /nfs/dbraw/zinc/27/27/71/532272771.db2.gz BYGSEMKVFIRSBS-NSHDSACASA-N 1 1 387.274 2.024 20 0 GEADMO O=C(CCn1cc(Br)cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000137761516 532291495 /nfs/dbraw/zinc/29/14/95/532291495.db2.gz KHLWZOPWSBXRLB-UHFFFAOYSA-N 1 1 377.286 2.380 20 0 GEADMO O=C1[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181251803 532294598 /nfs/dbraw/zinc/29/45/98/532294598.db2.gz CEUVIKJRRBDRMZ-IINYFYTJSA-N 1 1 377.293 2.266 20 0 GEADMO Cn1c(=O)c2c3c(sc2nc1SCCCN1CC[NH+](C)CC1)CCC3 ZINC000181300101 532295336 /nfs/dbraw/zinc/29/53/36/532295336.db2.gz PEXDVYDBXDLGGN-UHFFFAOYSA-N 1 1 378.567 2.213 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181396414 532297168 /nfs/dbraw/zinc/29/71/68/532297168.db2.gz KZDRQWOQYXKVAF-IUODEOHRSA-N 1 1 393.285 2.123 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2cc(F)ccc2Br)cn1 ZINC000181439309 532298516 /nfs/dbraw/zinc/29/85/16/532298516.db2.gz GRBCJNRGMYRNSO-HNNXBMFYSA-N 1 1 381.249 2.037 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cc2cc(Br)ccc2F)cn1 ZINC000181447913 532299669 /nfs/dbraw/zinc/29/96/69/532299669.db2.gz CTCUGOHXVJRZNJ-OAHLLOKOSA-N 1 1 381.249 2.037 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150720709 532301315 /nfs/dbraw/zinc/30/13/15/532301315.db2.gz YQVAIBFLYQDLPH-UONOGXRCSA-N 1 1 385.302 2.301 20 0 GEADMO C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1Br)C[NH+]1CCOCC1 ZINC000150720714 532301478 /nfs/dbraw/zinc/30/14/78/532301478.db2.gz YQVAIBFLYQDLPH-ZIAGYGMSSA-N 1 1 385.302 2.301 20 0 GEADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1S(C)(=O)=O)CC(C)C ZINC000150840670 532302711 /nfs/dbraw/zinc/30/27/11/532302711.db2.gz MLGVSZBOWVECPB-OAHLLOKOSA-N 1 1 390.571 2.125 20 0 GEADMO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000181765654 532306198 /nfs/dbraw/zinc/30/61/98/532306198.db2.gz DOXIYZITNYTVPF-DOTOQJQBSA-N 1 1 383.897 2.455 20 0 GEADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c1 ZINC000181938332 532307888 /nfs/dbraw/zinc/30/78/88/532307888.db2.gz AINOQBXQRHIPBT-STQMWFEESA-N 1 1 381.523 2.184 20 0 GEADMO Cc1cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cnc1Br ZINC000182433683 532313324 /nfs/dbraw/zinc/31/33/24/532313324.db2.gz JERBPBJCIFYFHH-LBPRGKRZSA-N 1 1 384.322 2.158 20 0 GEADMO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000182650664 532316155 /nfs/dbraw/zinc/31/61/55/532316155.db2.gz LPJGMOFCVURLBX-KGLIPLIRSA-N 1 1 389.315 2.333 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cnc1Br ZINC000182667713 532316545 /nfs/dbraw/zinc/31/65/45/532316545.db2.gz MHXKXPWIICYNMN-LBPRGKRZSA-N 1 1 395.257 2.103 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000182838750 532318542 /nfs/dbraw/zinc/31/85/42/532318542.db2.gz RFEHLHCUHGWSRH-OCCSQVGLSA-N 1 1 395.301 2.034 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185060942 532336689 /nfs/dbraw/zinc/33/66/89/532336689.db2.gz ZSEXFWOKRMRDAR-UHFFFAOYSA-N 1 1 397.317 2.432 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185235338 532337320 /nfs/dbraw/zinc/33/73/20/532337320.db2.gz GAFCVAZZOUXQMD-UHFFFAOYSA-N 1 1 395.294 2.312 20 0 GEADMO Cc1nnc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)s1 ZINC000185384892 532337808 /nfs/dbraw/zinc/33/78/08/532337808.db2.gz OEFKBQXVUKFAKL-UHFFFAOYSA-N 1 1 379.917 2.442 20 0 GEADMO Cc1cc(=O)n2nc(CN3CC[NH+]([C@@H](C)c4ccsc4)CC3)sc2n1 ZINC000185491212 532337859 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C[C@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)N1CC[NH+](C)CC1 ZINC000186215403 532340287 /nfs/dbraw/zinc/34/02/87/532340287.db2.gz LQBCNNGIJMAQKF-GFCCVEGCSA-N 1 1 384.293 2.109 20 0 GEADMO CN1CCN(c2cc(C[NH2+]Cc3cncc(Br)c3)ccn2)CC1 ZINC000186591384 532341279 /nfs/dbraw/zinc/34/12/79/532341279.db2.gz YGEZJYZMQZHJQB-UHFFFAOYSA-N 1 1 376.302 2.281 20 0 GEADMO Cc1nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1Br ZINC000186779726 532341878 /nfs/dbraw/zinc/34/18/78/532341878.db2.gz MCIGYFOYAXGMIT-NSHDSACASA-N 1 1 385.306 2.461 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(Br)c1 ZINC000186831365 532342174 /nfs/dbraw/zinc/34/21/74/532342174.db2.gz GUKKJSAZSLENBK-ZIAGYGMSSA-N 1 1 385.302 2.050 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2cccc(Br)c2)[C@@H](C)C1 ZINC000186935209 532342713 /nfs/dbraw/zinc/34/27/13/532342713.db2.gz XPJGJTRGEMUUKT-QWHCGFSZSA-N 1 1 387.343 2.455 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)[C@@H](C)C1 ZINC000186935209 532342714 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C[C@@H](CNc1cnn(C)c(=O)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000301262939 532747789 /nfs/dbraw/zinc/74/77/89/532747789.db2.gz VSEFTGJAQPCEQH-LBPRGKRZSA-N 1 1 377.286 2.402 20 0 GEADMO C[C@@H](CNc1cnn(C)c(=O)c1Br)[N@H+]1CCc2ccccc2C1 ZINC000301262939 532747793 /nfs/dbraw/zinc/74/77/93/532747793.db2.gz VSEFTGJAQPCEQH-LBPRGKRZSA-N 1 1 377.286 2.402 20 0 GEADMO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000577096041 532732914 /nfs/dbraw/zinc/73/29/14/532732914.db2.gz TXYSBBBZTMVKQN-JTQLQIEISA-N 1 1 389.905 2.068 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Br ZINC000500706198 532734191 /nfs/dbraw/zinc/73/41/91/532734191.db2.gz ATTREQYKLYAUMF-MNOVXSKESA-N 1 1 386.265 2.386 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Br ZINC000500706198 532734196 /nfs/dbraw/zinc/73/41/96/532734196.db2.gz ATTREQYKLYAUMF-MNOVXSKESA-N 1 1 386.265 2.386 20 0 GEADMO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614095870 532734257 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378.416 2.224 20 0 GEADMO CSc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515693 532738255 /nfs/dbraw/zinc/73/82/55/532738255.db2.gz ZAHXKNPVJKYDTB-CYBMUJFWSA-N 1 1 384.343 2.291 20 0 GEADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000501186049 532738825 /nfs/dbraw/zinc/73/88/25/532738825.db2.gz KOCJZKBPRPRLOE-QGZVFWFLSA-N 1 1 375.579 2.176 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1(Cc2ccccc2Br)CC1 ZINC000614505050 532739673 /nfs/dbraw/zinc/73/96/73/532739673.db2.gz IHYCOQPRNYOGEB-INIZCTEOSA-N 1 1 392.341 2.278 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1nc2ccccc2cc1Br ZINC000614506767 532739820 /nfs/dbraw/zinc/73/98/20/532739820.db2.gz ZWLBVPUYYZGMOH-CQSZACIVSA-N 1 1 389.297 2.117 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc(Cl)c(Br)cc1F ZINC000614503540 532739871 /nfs/dbraw/zinc/73/98/71/532739871.db2.gz MTPMAVLWWWAFPW-SNVBAGLBSA-N 1 1 390.684 2.361 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000267623937 532747987 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COCC[NH+]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507789712 532760336 /nfs/dbraw/zinc/76/03/36/532760336.db2.gz FIPFEGDRNXZSOC-HNNXBMFYSA-N 1 1 398.301 2.246 20 0 GEADMO Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)ncc1Br ZINC000301831051 532760642 /nfs/dbraw/zinc/76/06/42/532760642.db2.gz QDOQUJWGFOXNKG-UHFFFAOYSA-N 1 1 377.290 2.177 20 0 GEADMO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)S(C)(=O)=O ZINC000411460752 532762572 /nfs/dbraw/zinc/76/25/72/532762572.db2.gz SCCAOHOWFXEEFB-NXEZZACHSA-N 1 1 378.288 2.304 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1C ZINC000267633097 532748954 /nfs/dbraw/zinc/74/89/54/532748954.db2.gz RCNKBUMUFACQAG-AWEZNQCLSA-N 1 1 386.283 2.326 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@H+]1C ZINC000443719208 532749575 /nfs/dbraw/zinc/74/95/75/532749575.db2.gz BPYDMOHTDKVLIQ-PSASIEDQSA-N 1 1 390.228 2.265 20 0 GEADMO O=C(NCCn1cc(Br)cn1)NCC[N@@H+]1CCc2sccc2C1 ZINC000286477841 532749795 /nfs/dbraw/zinc/74/97/95/532749795.db2.gz 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GEADMO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1Br ZINC000272381592 532814482 /nfs/dbraw/zinc/81/44/82/532814482.db2.gz HTVZJFFTYIXLHY-FZMZJTMJSA-N 1 1 389.315 2.172 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272374403 532814542 /nfs/dbraw/zinc/81/45/42/532814542.db2.gz VITZTTIMTGSWQL-IUODEOHRSA-N 1 1 380.286 2.249 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)[C@@H]2C1 ZINC000272468340 532815857 /nfs/dbraw/zinc/81/58/57/532815857.db2.gz LCJFMSMLXCOUEC-SWLSCSKDSA-N 1 1 395.297 2.315 20 0 GEADMO CNS(=O)(=O)c1csc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000272675911 532816844 /nfs/dbraw/zinc/81/68/44/532816844.db2.gz JVKLPYRQUGQDFK-OLZOCXBDSA-N 1 1 385.555 2.039 20 0 GEADMO C[C@@H](NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000272686006 532816936 /nfs/dbraw/zinc/81/69/36/532816936.db2.gz BPHSBVFMBRBHSC-CYBMUJFWSA-N 1 1 385.917 2.063 20 0 GEADMO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000272812793 532818402 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GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330646107 532823778 /nfs/dbraw/zinc/82/37/78/532823778.db2.gz GSKIHWYPAALOIE-GYSYKLTISA-N 1 1 388.249 2.321 20 0 GEADMO Cn1ncc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000273295766 532822439 /nfs/dbraw/zinc/82/24/39/532822439.db2.gz SZDDEMSIWBRVJH-UHFFFAOYSA-N 1 1 377.286 2.183 20 0 GEADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000273415960 532823192 /nfs/dbraw/zinc/82/31/92/532823192.db2.gz QYBLRUVWVQMKNZ-MRXNPFEDSA-N 1 1 381.519 2.053 20 0 GEADMO NC(=O)c1cc(CNC2CC[NH+](Cc3ccccc3Br)CC2)on1 ZINC000273416106 532823598 /nfs/dbraw/zinc/82/35/98/532823598.db2.gz PIUYCLNKNNXJML-UHFFFAOYSA-N 1 1 393.285 2.290 20 0 GEADMO C[NH+](C)CCN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000273590123 532827797 /nfs/dbraw/zinc/82/77/97/532827797.db2.gz LIVDXZDCXJYGPP-GFCCVEGCSA-N 1 1 393.336 2.113 20 0 GEADMO COC(C[N@@H+](CCCO)C[C@H](O)COc1cc(Cl)ccc1Cl)OC ZINC000273590090 532827841 /nfs/dbraw/zinc/82/78/41/532827841.db2.gz JBFMSQUDOXKPOP-ZDUSSCGKSA-N 1 1 382.284 2.036 20 0 GEADMO COC(=O)[C@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+](C)C1 ZINC000414484435 532830707 /nfs/dbraw/zinc/83/07/07/532830707.db2.gz GXCGHIROTXAXNB-OAHLLOKOSA-N 1 1 395.297 2.262 20 0 GEADMO O=C(Nc1ccncc1I)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000273688012 532830879 /nfs/dbraw/zinc/83/08/79/532830879.db2.gz GUZDOWOZPJRBIL-OLZOCXBDSA-N 1 1 386.237 2.435 20 0 GEADMO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)CCn1cc(Br)cn1 ZINC000288674774 532834437 /nfs/dbraw/zinc/83/44/37/532834437.db2.gz CLTZRYWDZPZPAG-UHFFFAOYSA-N 1 1 396.314 2.198 20 0 GEADMO COc1ccccc1CN(C)C(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288669639 532834496 /nfs/dbraw/zinc/83/44/96/532834496.db2.gz CDXKOVXFSSRLGU-UHFFFAOYSA-N 1 1 395.301 2.245 20 0 GEADMO COc1ccccc1CN(C)C(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288669639 532834498 /nfs/dbraw/zinc/83/44/98/532834498.db2.gz CDXKOVXFSSRLGU-UHFFFAOYSA-N 1 1 395.301 2.245 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)C(=O)Nc1cnns1)c1ccc(Cl)cc1 ZINC000288613358 532833160 /nfs/dbraw/zinc/83/31/60/532833160.db2.gz RCSYTPKFPIWHKA-ZDUSSCGKSA-N 1 1 381.889 2.329 20 0 GEADMO COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000331232055 532836364 /nfs/dbraw/zinc/83/63/64/532836364.db2.gz JGWBLBQRDNTQSZ-GFCCVEGCSA-N 1 1 398.301 2.196 20 0 GEADMO Cn1c(=O)cc(C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)n(C)c1=O ZINC000273809794 532835291 /nfs/dbraw/zinc/83/52/91/532835291.db2.gz CUWFTCQHVBIRHW-UHFFFAOYSA-N 1 1 390.281 2.136 20 0 GEADMO COc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(Cl)c1OC ZINC000414997665 532836713 /nfs/dbraw/zinc/83/67/13/532836713.db2.gz YOPIXGSXSWHBTK-CQSZACIVSA-N 1 1 381.826 2.283 20 0 GEADMO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000415097194 532837885 /nfs/dbraw/zinc/83/78/85/532837885.db2.gz SBZRVZNLEXYAGH-CJNGLKHVSA-N 1 1 381.318 2.178 20 0 GEADMO O=C(CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1cccc(Br)c1 ZINC000274062963 532840158 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Cn1nccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000274219396 532844431 /nfs/dbraw/zinc/84/44/31/532844431.db2.gz WRYPMPHGEUAGMM-BLLLJJGKSA-N 1 1 386.880 2.184 20 0 GEADMO Cn1nccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000274219396 532844434 /nfs/dbraw/zinc/84/44/34/532844434.db2.gz WRYPMPHGEUAGMM-BLLLJJGKSA-N 1 1 386.880 2.184 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274338570 532847806 /nfs/dbraw/zinc/84/78/06/532847806.db2.gz AGAJPUDLMDGZGW-SNVBAGLBSA-N 1 1 389.681 2.037 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000274419853 532849863 /nfs/dbraw/zinc/84/98/63/532849863.db2.gz HXDCXODTWWQECO-UHFFFAOYSA-N 1 1 387.933 2.209 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636672 532851839 /nfs/dbraw/zinc/85/18/39/532851839.db2.gz GSRZOARAPOKKML-UHFFFAOYSA-N 1 1 392.229 2.683 20 0 GEADMO Cn1cc(Br)cc1C[N@@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289356626 532852914 /nfs/dbraw/zinc/85/29/14/532852914.db2.gz MFBHUIPPSXXBKG-MRXNPFEDSA-N 1 1 390.322 2.495 20 0 GEADMO CCS(=O)(=O)NC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000289423397 532854258 /nfs/dbraw/zinc/85/42/58/532854258.db2.gz JMLQLABCXYEAOB-UHFFFAOYSA-N 1 1 382.917 2.429 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1C(F)F ZINC000332387231 532854347 /nfs/dbraw/zinc/85/43/47/532854347.db2.gz JREGFNIXWQXMAF-UHFFFAOYSA-N 1 1 376.473 2.305 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C[C@H](C)[N@@H+]1C ZINC000332426400 532855322 /nfs/dbraw/zinc/85/53/22/532855322.db2.gz FJPYGMWGXLUIKQ-TXEJJXNPSA-N 1 1 398.301 2.454 20 0 GEADMO C[C@@](O)(CNC(=O)Nc1cc(Cl)c(Cl)cc1F)C[NH+]1CCOCC1 ZINC000332608178 532857720 /nfs/dbraw/zinc/85/77/20/532857720.db2.gz NZHHDTFSUZLROL-OAHLLOKOSA-N 1 1 380.247 2.337 20 0 GEADMO COc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(SC)cc1OC ZINC000289541527 532858159 /nfs/dbraw/zinc/85/81/59/532858159.db2.gz QLQKKOCSLSCOKK-AWEZNQCLSA-N 1 1 388.555 2.282 20 0 GEADMO COc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(SC)cc1OC ZINC000289541527 532858160 /nfs/dbraw/zinc/85/81/60/532858160.db2.gz QLQKKOCSLSCOKK-AWEZNQCLSA-N 1 1 388.555 2.282 20 0 GEADMO COc1c(Br)cccc1C[N@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289550395 532858588 /nfs/dbraw/zinc/85/85/88/532858588.db2.gz IMKKYZGFLRPBFT-YVEFUNNKSA-N 1 1 396.285 2.410 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605591 532860539 /nfs/dbraw/zinc/86/05/39/532860539.db2.gz KZSJDLLAQFAHFX-YVEFUNNKSA-N 1 1 396.285 2.410 20 0 GEADMO C[N@H+]([C@@H](CO)c1cccc(Br)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000332681454 532860400 /nfs/dbraw/zinc/86/04/00/532860400.db2.gz SLLSBZBDKZIGAA-SJORKVTESA-N 1 1 397.313 2.194 20 0 GEADMO C[N@@H+]([C@@H](CO)c1cccc(Br)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000332681454 532860401 /nfs/dbraw/zinc/86/04/01/532860401.db2.gz SLLSBZBDKZIGAA-SJORKVTESA-N 1 1 397.313 2.194 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289635010 532861567 /nfs/dbraw/zinc/86/15/67/532861567.db2.gz MEFWMNHYUNUTKO-SJKOYZFVSA-N 1 1 396.285 2.410 20 0 GEADMO Cn1cc[nH+]c1N1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000275009176 532861414 /nfs/dbraw/zinc/86/14/14/532861414.db2.gz PRLANFFDEGIRFV-UHFFFAOYSA-N 1 1 389.301 2.392 20 0 GEADMO C[N@@H+](CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCSC1 ZINC000332832562 532861789 /nfs/dbraw/zinc/86/17/89/532861789.db2.gz SYSCYPFDCXLUIP-DOMZBBRYSA-N 1 1 385.892 2.138 20 0 GEADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289671447 532862972 /nfs/dbraw/zinc/86/29/72/532862972.db2.gz NPARPDKTSXQLPM-CXAGYDPISA-N 1 1 396.285 2.410 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000333147428 532864603 /nfs/dbraw/zinc/86/46/03/532864603.db2.gz KHVDNVUOFKNQBN-JSGCOSHPSA-N 1 1 388.917 2.462 20 0 GEADMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000275130304 532865990 /nfs/dbraw/zinc/86/59/90/532865990.db2.gz RSSVRPPOMWYBDK-GWCFXTLKSA-N 1 1 395.219 2.483 20 0 GEADMO Cc1ccc(Br)c(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000333190223 532866051 /nfs/dbraw/zinc/86/60/51/532866051.db2.gz UVDKKQGGSMRPED-ZDUSSCGKSA-N 1 1 395.301 2.186 20 0 GEADMO COc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289879543 532867225 /nfs/dbraw/zinc/86/72/25/532867225.db2.gz WBPJRJUEOBBMCM-YVEFUNNKSA-N 1 1 396.285 2.410 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275182587 532867885 /nfs/dbraw/zinc/86/78/85/532867885.db2.gz XAJSTBBRRWLDGG-UHFFFAOYSA-N 1 1 377.229 2.208 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@H]2C1 ZINC000333354819 532867588 /nfs/dbraw/zinc/86/75/88/532867588.db2.gz SGNURMVYWWRHIL-ZBEGNZNMSA-N 1 1 390.281 2.457 20 0 GEADMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cnccc2C)C1 ZINC000333452203 532868614 /nfs/dbraw/zinc/86/86/14/532868614.db2.gz RZRWFEPLLLHZDH-OAHLLOKOSA-N 1 1 380.539 2.298 20 0 GEADMO COC(=O)c1cc(Br)cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c1C ZINC000416271961 532868810 /nfs/dbraw/zinc/86/88/10/532868810.db2.gz BWLYZATXUINEOY-LLVKDONJSA-N 1 1 399.285 2.451 20 0 GEADMO CC(C)[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCN(C)CC1 ZINC000289955204 532869141 /nfs/dbraw/zinc/86/91/41/532869141.db2.gz QIKZVHYQVZEDSU-QGZVFWFLSA-N 1 1 394.361 2.458 20 0 GEADMO Cc1ccc(OCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416286003 532869572 /nfs/dbraw/zinc/86/95/72/532869572.db2.gz AKGUQZJWGBSXQT-LSDHHAIUSA-N 1 1 399.329 2.440 20 0 GEADMO Cc1nc(C)c(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000333506208 532869803 /nfs/dbraw/zinc/86/98/03/532869803.db2.gz WKBMZPIEPCNFPB-UHFFFAOYSA-N 1 1 375.585 2.400 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416306128 532869993 /nfs/dbraw/zinc/86/99/93/532869993.db2.gz JNBDFMQSMQUIST-QWHCGFSZSA-N 1 1 385.302 2.293 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416306128 532869994 /nfs/dbraw/zinc/86/99/94/532869994.db2.gz JNBDFMQSMQUIST-QWHCGFSZSA-N 1 1 385.302 2.293 20 0 GEADMO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290004597 532870288 /nfs/dbraw/zinc/87/02/88/532870288.db2.gz UBGDWTFXXBHCPZ-GFCCVEGCSA-N 1 1 380.290 2.424 20 0 GEADMO COc1cc(Br)ccc1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416318919 532871008 /nfs/dbraw/zinc/87/10/08/532871008.db2.gz YCONNKMJRPDLTM-KGLIPLIRSA-N 1 1 399.329 2.304 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000333731450 532872659 /nfs/dbraw/zinc/87/26/59/532872659.db2.gz WREDRIFIIHCSSE-ABAIWWIYSA-N 1 1 383.290 2.337 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000290149758 532874082 /nfs/dbraw/zinc/87/40/82/532874082.db2.gz OIMGHXJTQFTHGS-UHFFFAOYSA-N 1 1 386.338 2.005 20 0 GEADMO CN(CCCN(C)C(=O)c1[nH]nc(C2CC2)c1Br)CC[NH+](C)C ZINC000290149758 532874086 /nfs/dbraw/zinc/87/40/86/532874086.db2.gz OIMGHXJTQFTHGS-UHFFFAOYSA-N 1 1 386.338 2.005 20 0 GEADMO O=S(=O)(NC[C@H]1CCc2[nH+]ccn2C1)c1sccc1Br ZINC000275369973 532874257 /nfs/dbraw/zinc/87/42/57/532874257.db2.gz WYLAKMSDSTZTDZ-SECBINFHSA-N 1 1 376.301 2.248 20 0 GEADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1)C2 ZINC000290310172 532877443 /nfs/dbraw/zinc/87/74/43/532877443.db2.gz CYWJZTGMHFWGTL-CZUORRHYSA-N 1 1 378.270 2.366 20 0 GEADMO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccccc32)s1 ZINC000420458618 532883853 /nfs/dbraw/zinc/88/38/53/532883853.db2.gz KONATTKBIYWNEJ-GFCCVEGCSA-N 1 1 379.507 2.071 20 0 GEADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(Cl)ncc1Br ZINC000290572196 532884101 /nfs/dbraw/zinc/88/41/01/532884101.db2.gz GQZGSZFGXIINHQ-UHFFFAOYSA-N 1 1 377.714 2.111 20 0 GEADMO CN(CCCNC(=O)c1cc(Cl)ncc1Br)CC[NH+](C)C ZINC000290572196 532884103 /nfs/dbraw/zinc/88/41/03/532884103.db2.gz GQZGSZFGXIINHQ-UHFFFAOYSA-N 1 1 377.714 2.111 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421305188 532889854 /nfs/dbraw/zinc/88/98/54/532889854.db2.gz UXDDCUIJEQGGTQ-GFCCVEGCSA-N 1 1 398.301 2.257 20 0 GEADMO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360942304 532891602 /nfs/dbraw/zinc/89/16/02/532891602.db2.gz PQRFKCNTCYXHEZ-NUTKFTJISA-N 1 1 382.913 2.300 20 0 GEADMO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000360942302 532891729 /nfs/dbraw/zinc/89/17/29/532891729.db2.gz PQRFKCNTCYXHEZ-MJEQTWJJSA-N 1 1 382.913 2.300 20 0 GEADMO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccnc(Cl)c1Cl)c1cccs1 ZINC000290915347 532892606 /nfs/dbraw/zinc/89/26/06/532892606.db2.gz PWZYNNXRSLCPRC-SNVBAGLBSA-N 1 1 381.306 2.374 20 0 GEADMO CC[N@@H+]1CCc2nc(NC(=O)c3cnc4scc(C)n4c3=O)sc2C1 ZINC000360790320 532890341 /nfs/dbraw/zinc/89/03/41/532890341.db2.gz FAQSLFKCEGIOOB-UHFFFAOYSA-N 1 1 375.479 2.151 20 0 GEADMO CC[N@H+]1CCc2nc(NC(=O)c3cnc4scc(C)n4c3=O)sc2C1 ZINC000360790320 532890343 /nfs/dbraw/zinc/89/03/43/532890343.db2.gz FAQSLFKCEGIOOB-UHFFFAOYSA-N 1 1 375.479 2.151 20 0 GEADMO COCCNc1nnc(SCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000421821751 532890608 /nfs/dbraw/zinc/89/06/08/532890608.db2.gz TWNRLMZVWHMBQG-UHFFFAOYSA-N 1 1 380.539 2.721 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000290970703 532893917 /nfs/dbraw/zinc/89/39/17/532893917.db2.gz TUIGNUDZZMTUDU-LLVKDONJSA-N 1 1 391.331 2.311 20 0 GEADMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000361956746 532894444 /nfs/dbraw/zinc/89/44/44/532894444.db2.gz MQTGWUYYVCLTSP-HOTGVXAUSA-N 1 1 393.285 2.110 20 0 GEADMO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361311976 532893060 /nfs/dbraw/zinc/89/30/60/532893060.db2.gz ZBMTWIOVPVEYOF-OLZOCXBDSA-N 1 1 375.416 2.172 20 0 GEADMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@@H]21 ZINC000362283086 532895197 /nfs/dbraw/zinc/89/51/97/532895197.db2.gz LSLUADVKNFXRNA-FZMZJTMJSA-N 1 1 376.400 2.146 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@@H]21 ZINC000362283086 532895201 /nfs/dbraw/zinc/89/52/01/532895201.db2.gz LSLUADVKNFXRNA-FZMZJTMJSA-N 1 1 376.400 2.146 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@H+]1C ZINC000291037281 532895408 /nfs/dbraw/zinc/89/54/08/532895408.db2.gz GTKTXESCYRYXIZ-ABHRYQDASA-N 1 1 385.555 2.479 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000276435138 532895913 /nfs/dbraw/zinc/89/59/13/532895913.db2.gz BLNVSVVZPNVFNH-CQSZACIVSA-N 1 1 376.906 2.128 20 0 GEADMO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362395670 532896326 /nfs/dbraw/zinc/89/63/26/532896326.db2.gz KDHMREHGZSBFBE-QGZVFWFLSA-N 1 1 380.945 2.222 20 0 GEADMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000291115021 532896606 /nfs/dbraw/zinc/89/66/06/532896606.db2.gz VGUWMECQHDXQCO-DHMWGJHJSA-N 1 1 385.555 2.383 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Br)cnc1Cl ZINC000362473164 532896694 /nfs/dbraw/zinc/89/66/94/532896694.db2.gz ZNLNEGHORDINCV-NWDGAFQWSA-N 1 1 388.693 2.481 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Br)cnc1Cl ZINC000362473164 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CN(CCn1cc(Br)cn1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291414740 532901365 /nfs/dbraw/zinc/90/13/65/532901365.db2.gz ICUKIFKSZUOGFM-UHFFFAOYSA-N 1 1 382.262 2.002 20 0 GEADMO COc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(Br)c1O ZINC000291480119 532902885 /nfs/dbraw/zinc/90/28/85/532902885.db2.gz FRPBQYSOKXLRTL-TZMCWYRMSA-N 1 1 385.302 2.458 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(I)cc1 ZINC000291629116 532905627 /nfs/dbraw/zinc/90/56/27/532905627.db2.gz DCHJEQMUNRCDBW-AWEZNQCLSA-N 1 1 396.232 2.373 20 0 GEADMO O=C(C[N@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(I)cc1 ZINC000291629116 532905628 /nfs/dbraw/zinc/90/56/28/532905628.db2.gz DCHJEQMUNRCDBW-AWEZNQCLSA-N 1 1 396.232 2.373 20 0 GEADMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nc2ccccn2c1Br ZINC000291568475 532904407 /nfs/dbraw/zinc/90/44/07/532904407.db2.gz NRIZLWYAQLWDMV-UKRRQHHQSA-N 1 1 379.302 2.392 20 0 GEADMO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291605866 532904951 /nfs/dbraw/zinc/90/49/51/532904951.db2.gz 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CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000294172441 532936501 /nfs/dbraw/zinc/93/65/01/532936501.db2.gz SPIBAJRHXWCCFQ-WBVHZDCISA-N 1 1 386.334 2.096 20 0 GEADMO CC(C)[C@H](CNC(=O)Nc1ccnc(Br)c1)N1CC[NH+](C)CC1 ZINC000294162277 532936633 /nfs/dbraw/zinc/93/66/33/532936633.db2.gz IFFBPFVGUUTTCE-AWEZNQCLSA-N 1 1 384.322 2.238 20 0 GEADMO O=C(NCc1ccc(F)cc1Br)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369028911 532936663 /nfs/dbraw/zinc/93/66/63/532936663.db2.gz UPSGTWXJMBYJBV-KBPBESRZSA-N 1 1 386.265 2.251 20 0 GEADMO C[C@H](C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[NH+](C)CC1 ZINC000294296661 532937655 /nfs/dbraw/zinc/93/76/55/532937655.db2.gz JYJRZBNWANHLSU-CYBMUJFWSA-N 1 1 392.301 2.209 20 0 GEADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279765 532937880 /nfs/dbraw/zinc/93/78/80/532937880.db2.gz ZBQPFSDGYARNTB-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279765 532937881 /nfs/dbraw/zinc/93/78/81/532937881.db2.gz ZBQPFSDGYARNTB-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCCOCC(F)F)CC2)cs1 ZINC000368965455 532935881 /nfs/dbraw/zinc/93/58/81/532935881.db2.gz KUYBCBVDEJZFLK-UHFFFAOYSA-N 1 1 376.473 2.244 20 0 GEADMO O[C@H](C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)CC(F)(F)F ZINC000368975698 532936265 /nfs/dbraw/zinc/93/62/65/532936265.db2.gz XJCNYZLBNFEKST-QMMMGPOBSA-N 1 1 378.342 2.382 20 0 GEADMO O[C@H](C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)CC(F)(F)F ZINC000368975698 532936267 /nfs/dbraw/zinc/93/62/67/532936267.db2.gz XJCNYZLBNFEKST-QMMMGPOBSA-N 1 1 378.342 2.382 20 0 GEADMO C[C@H](CO)[N@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000368974373 532936307 /nfs/dbraw/zinc/93/63/07/532936307.db2.gz NQFOGRAEVQLBIW-CQSZACIVSA-N 1 1 381.314 2.396 20 0 GEADMO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369533463 532939860 /nfs/dbraw/zinc/93/98/60/532939860.db2.gz ZNNFUAUJRYCYBM-DZKIICNBSA-N 1 1 387.571 2.206 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)CNC(=O)OCC(F)(F)F)[C@@H]1c1cccs1 ZINC000369546843 532939941 /nfs/dbraw/zinc/93/99/41/532939941.db2.gz DDFZXLTZZYMYTM-ZWNOBZJWSA-N 1 1 379.404 2.146 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369536642 532940000 /nfs/dbraw/zinc/94/00/00/532940000.db2.gz JJUMLAQVMRNTPI-PBHICJAKSA-N 1 1 390.908 2.399 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369536644 532940028 /nfs/dbraw/zinc/94/00/28/532940028.db2.gz JJUMLAQVMRNTPI-WMLDXEAASA-N 1 1 390.908 2.399 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1-n1cc(Br)cn1 ZINC000294410699 532938999 /nfs/dbraw/zinc/93/89/99/532938999.db2.gz IZBQNWVEQWPZHT-LSDHHAIUSA-N 1 1 390.285 2.386 20 0 GEADMO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369533463 532939859 /nfs/dbraw/zinc/93/98/59/532939859.db2.gz ZNNFUAUJRYCYBM-DZKIICNBSA-N 1 1 387.571 2.206 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000370473334 532943701 /nfs/dbraw/zinc/94/37/01/532943701.db2.gz RUXFZGBENLETAQ-UMVBOHGHSA-N 1 1 382.302 2.463 20 0 GEADMO O=C(CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)Nc1ccc(Br)cc1 ZINC000369968127 532941594 /nfs/dbraw/zinc/94/15/94/532941594.db2.gz WUHUEHACSWWULY-WFASDCNBSA-N 1 1 380.286 2.378 20 0 GEADMO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1cccc(I)c1 ZINC000370095747 532942190 /nfs/dbraw/zinc/94/21/90/532942190.db2.gz XQIYEPAIMNJFFG-HNNXBMFYSA-N 1 1 386.233 2.077 20 0 GEADMO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370727446 532945155 /nfs/dbraw/zinc/94/51/55/532945155.db2.gz YFXFVFBOZMLZEM-OWCLPIDISA-N 1 1 382.302 2.409 20 0 GEADMO Brc1cc2c(cc1CN1CC[NH+]([C@H]3CCOC3)CC1)OCCO2 ZINC000370747724 532945279 /nfs/dbraw/zinc/94/52/79/532945279.db2.gz BTTIIBTUJQDLDG-AWEZNQCLSA-N 1 1 383.286 2.127 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000370743514 532945334 /nfs/dbraw/zinc/94/53/34/532945334.db2.gz WHBILYJPTDECGB-KGLIPLIRSA-N 1 1 380.286 2.439 20 0 GEADMO CN(C(=O)c1ccncc1Br)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370573974 532944364 /nfs/dbraw/zinc/94/43/64/532944364.db2.gz NQQACYYEHWLQDP-CQSZACIVSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccncc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370573974 532944365 /nfs/dbraw/zinc/94/43/65/532944365.db2.gz NQQACYYEHWLQDP-CQSZACIVSA-N 1 1 381.318 2.085 20 0 GEADMO COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000370608913 532944415 /nfs/dbraw/zinc/94/44/15/532944415.db2.gz RSPBNUGFBCJKPZ-HNNXBMFYSA-N 1 1 383.286 2.142 20 0 GEADMO COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000370608913 532944416 /nfs/dbraw/zinc/94/44/16/532944416.db2.gz RSPBNUGFBCJKPZ-HNNXBMFYSA-N 1 1 383.286 2.142 20 0 GEADMO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371102447 532946969 /nfs/dbraw/zinc/94/69/69/532946969.db2.gz ZSLZYRNMNRONIH-AWEZNQCLSA-N 1 1 392.297 2.406 20 0 GEADMO COC(=O)c1cn([C@@H]2CC[N@H+](CCOc3ccccc3Br)C2)nn1 ZINC000371845977 532949592 /nfs/dbraw/zinc/94/95/92/532949592.db2.gz KUQNUUBTWDVPED-GFCCVEGCSA-N 1 1 395.257 2.153 20 0 GEADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCOc3ccccc3Br)C2)nn1 ZINC000371845977 532949593 /nfs/dbraw/zinc/94/95/93/532949593.db2.gz KUQNUUBTWDVPED-GFCCVEGCSA-N 1 1 395.257 2.153 20 0 GEADMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000024590506 570386782 /nfs/dbraw/zinc/38/67/82/570386782.db2.gz NISYIGQLESDPPH-HXUWFJFHSA-N 1 1 397.519 2.299 20 0 in-vitro GEADMO O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275920177 570700487 /nfs/dbraw/zinc/70/04/87/570700487.db2.gz JVMGHYBNQLAIDL-RBDMOPTHSA-N 1 1 382.508 2.080 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000738388292 598834013 /nfs/dbraw/zinc/83/40/13/598834013.db2.gz RYWWHJOCPYZMKX-XLIONFOSSA-N 1 1 395.463 2.150 20 0 GEADMO COC(=O)[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736898051 598880516 /nfs/dbraw/zinc/88/05/16/598880516.db2.gz STOLTJZRHICBDF-SFHVURJKSA-N 1 1 386.500 2.325 20 0 GEADMO C[N@@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736800104 598896844 /nfs/dbraw/zinc/89/68/44/598896844.db2.gz ZXXUSVVVUBOHQJ-UHFFFAOYSA-N 1 1 378.480 2.298 20 0 GEADMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381610 598897359 /nfs/dbraw/zinc/89/73/59/598897359.db2.gz JDZOQCPVGYYTFG-LSDHHAIUSA-N 1 1 378.864 2.084 20 0 GEADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000266836951 598923432 /nfs/dbraw/zinc/92/34/32/598923432.db2.gz ODGBQBJQSPRPSQ-GOSISDBHSA-N 1 1 378.436 2.096 20 0 GEADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000266836951 598923434 /nfs/dbraw/zinc/92/34/34/598923434.db2.gz ODGBQBJQSPRPSQ-GOSISDBHSA-N 1 1 378.436 2.096 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000737032627 598981198 /nfs/dbraw/zinc/98/11/98/598981198.db2.gz JBGHRTHHPVYNIL-OAHLLOKOSA-N 1 1 397.435 2.026 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000737031959 598984964 /nfs/dbraw/zinc/98/49/64/598984964.db2.gz GCWYIPKIXNHCEE-UHFFFAOYSA-N 1 1 381.436 2.061 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000737031316 598986093 /nfs/dbraw/zinc/98/60/93/598986093.db2.gz FNGNMKMMVMIYDJ-MRXNPFEDSA-N 1 1 383.456 2.096 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCN(C)c2ccccc2C1 ZINC000737030908 598986168 /nfs/dbraw/zinc/98/61/68/598986168.db2.gz BOJMARGYHDYUQE-UHFFFAOYSA-N 1 1 380.452 2.206 20 0 GEADMO CC(C)OCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735896806 598988581 /nfs/dbraw/zinc/98/85/81/598988581.db2.gz VWHXUJJAYPSQJM-LBPRGKRZSA-N 1 1 392.529 2.491 20 0 GEADMO CCC[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736471848 598989478 /nfs/dbraw/zinc/98/94/78/598989478.db2.gz XHXDESSFYYERHX-QRQLOZEOSA-N 1 1 398.511 2.008 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736615848 599017434 /nfs/dbraw/zinc/01/74/34/599017434.db2.gz OSIXFHMDUZVGEN-HBTVWZBFSA-N 1 1 398.511 2.133 20 0 GEADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000736263988 599021822 /nfs/dbraw/zinc/02/18/22/599021822.db2.gz AQOHNYVIRDYMQC-HNNXBMFYSA-N 1 1 391.479 2.424 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736849408 599023941 /nfs/dbraw/zinc/02/39/41/599023941.db2.gz TXFDARAIZWMVKK-MRXNPFEDSA-N 1 1 392.463 2.127 20 0 GEADMO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075047 599028196 /nfs/dbraw/zinc/02/81/96/599028196.db2.gz IRNCZTQYNJISNY-YJBOKZPZSA-N 1 1 394.435 2.120 20 0 GEADMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736237220 599079644 /nfs/dbraw/zinc/07/96/44/599079644.db2.gz VHMWHGBJCMIXQL-LZQZEXGQSA-N 1 1 379.464 2.484 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736565331 599080669 /nfs/dbraw/zinc/08/06/69/599080669.db2.gz 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392.507 2.495 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C[N@H+]1C1CC1 ZINC000824893248 608419375 /nfs/dbraw/zinc/41/93/75/608419375.db2.gz PTPCWQQESNABFU-KDOFPFPSSA-N 1 1 393.495 2.291 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@H+]1C ZINC000824892606 608419703 /nfs/dbraw/zinc/41/97/03/608419703.db2.gz KSAQRSMRJBZSFS-KDOFPFPSSA-N 1 1 381.484 2.148 20 0 GEADMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000824978970 608421106 /nfs/dbraw/zinc/42/11/06/608421106.db2.gz ZDAJAMSJTVYVPO-KXBFYZLASA-N 1 1 395.511 2.394 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000826169788 608440966 /nfs/dbraw/zinc/44/09/66/608440966.db2.gz FHDLYDVFALQKER-GOSISDBHSA-N 1 1 392.463 2.329 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CC1CCOCC1 ZINC000824052593 608459106 /nfs/dbraw/zinc/45/91/06/608459106.db2.gz PVHCGZLFOYUFRT-NSHDSACASA-N 1 1 390.513 2.102 20 0 GEADMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824875205 608459661 /nfs/dbraw/zinc/45/96/61/608459661.db2.gz JOVXJOFMFRSLCW-IYBDPMFKSA-N 1 1 380.496 2.460 20 0 GEADMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824875205 608459662 /nfs/dbraw/zinc/45/96/62/608459662.db2.gz JOVXJOFMFRSLCW-IYBDPMFKSA-N 1 1 380.496 2.460 20 0 GEADMO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1COc2ccccc2O1 ZINC000825445303 608499505 /nfs/dbraw/zinc/49/95/05/608499505.db2.gz ZSVFELOXSYBTTN-INIZCTEOSA-N 1 1 391.435 2.176 20 0 GEADMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826473704 608517368 /nfs/dbraw/zinc/51/73/68/608517368.db2.gz JSJBOBMBSIFBKN-UHFFFAOYSA-N 1 1 386.456 2.415 20 0 GEADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826473704 608517370 /nfs/dbraw/zinc/51/73/70/608517370.db2.gz JSJBOBMBSIFBKN-UHFFFAOYSA-N 1 1 386.456 2.415 20 0 GEADMO c1nc(N2CCOCC2)sc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826513646 608519900 /nfs/dbraw/zinc/51/99/00/608519900.db2.gz RINBTESTVWFHPM-UHFFFAOYSA-N 1 1 397.508 2.324 20 0 GEADMO c1nc(N2CCOCC2)sc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826513646 608519902 /nfs/dbraw/zinc/51/99/02/608519902.db2.gz RINBTESTVWFHPM-UHFFFAOYSA-N 1 1 397.508 2.324 20 0 GEADMO COc1cccc(C2([NH2+]CC(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826215803 608551047 /nfs/dbraw/zinc/55/10/47/608551047.db2.gz ZETPFIRVDJDVQT-UHFFFAOYSA-N 1 1 382.424 2.303 20 0 GEADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)nc1 ZINC000826290448 608559752 /nfs/dbraw/zinc/55/97/52/608559752.db2.gz MWUGROTVQOIKGQ-CYBMUJFWSA-N 1 1 383.481 2.482 20 0 GEADMO C[C@H]1CCOCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824968948 608563533 /nfs/dbraw/zinc/56/35/33/608563533.db2.gz RAWRQPLZDPMTBV-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO COCC[N@@H+](CCc1ccccc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826158364 608564760 /nfs/dbraw/zinc/56/47/60/608564760.db2.gz MILUQZBCHZWBJY-UHFFFAOYSA-N 1 1 377.452 2.206 20 0 GEADMO COCC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158756 608566829 /nfs/dbraw/zinc/56/68/29/608566829.db2.gz BDAUYLQNIZDERQ-UHFFFAOYSA-N 1 1 377.452 2.471 20 0 GEADMO COCC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158756 608566831 /nfs/dbraw/zinc/56/68/31/608566831.db2.gz BDAUYLQNIZDERQ-UHFFFAOYSA-N 1 1 377.452 2.471 20 0 GEADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000824977622 608572812 /nfs/dbraw/zinc/57/28/12/608572812.db2.gz RQABQBHCOWUCPV-VXGBXAGGSA-N 1 1 392.891 2.138 20 0 GEADMO CN(CC[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C ZINC000825941617 608583207 /nfs/dbraw/zinc/58/32/07/608583207.db2.gz LPDUOAIISKOGHO-UHFFFAOYSA-N 1 1 376.461 2.044 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCc1ccncc1 ZINC000824045917 608640953 /nfs/dbraw/zinc/64/09/53/608640953.db2.gz PDJSNVLFLRYTES-LBPRGKRZSA-N 1 1 385.859 2.417 20 0 GEADMO O=C(CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000826407501 608649512 /nfs/dbraw/zinc/64/95/12/608649512.db2.gz OZDWYDFARGLCNW-UHFFFAOYSA-N 1 1 380.427 2.401 20 0 GEADMO C[C@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1 ZINC000824420942 608676502 /nfs/dbraw/zinc/67/65/02/608676502.db2.gz QSUFQXFFSVCHEH-MRXNPFEDSA-N 1 1 382.468 2.183 20 0 GEADMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1 ZINC000824420942 608676506 /nfs/dbraw/zinc/67/65/06/608676506.db2.gz QSUFQXFFSVCHEH-MRXNPFEDSA-N 1 1 382.468 2.183 20 0 GEADMO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772053 608798410 /nfs/dbraw/zinc/79/84/10/608798410.db2.gz SUQRQOWCGDUCLH-QRWLVFNGSA-N 1 1 396.470 2.418 20 0 GEADMO C[C@H](c1cccc(F)c1)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772049 608798472 /nfs/dbraw/zinc/79/84/72/608798472.db2.gz SUQRQOWCGDUCLH-FOIQADDNSA-N 1 1 396.470 2.418 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000826521392 608837995 /nfs/dbraw/zinc/83/79/95/608837995.db2.gz KIXWUFDPTWEYIE-GOSISDBHSA-N 1 1 389.463 2.348 20 0 GEADMO c1ncn(-c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)cc2)n1 ZINC000826513480 608855485 /nfs/dbraw/zinc/85/54/85/608855485.db2.gz MLYPBTXPIKCGFR-LJQANCHMSA-N 1 1 388.435 2.021 20 0 GEADMO c1ncn(-c2ccc(C[N@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)cc2)n1 ZINC000826513480 608855487 /nfs/dbraw/zinc/85/54/87/608855487.db2.gz MLYPBTXPIKCGFR-LJQANCHMSA-N 1 1 388.435 2.021 20 0 GEADMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906756 609148855 /nfs/dbraw/zinc/14/88/55/609148855.db2.gz DQRZKFQWCOXGQL-KWCYVHTRSA-N 1 1 385.390 2.269 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824947900 609196811 /nfs/dbraw/zinc/19/68/11/609196811.db2.gz RHIYIDXVANMAGW-CQSZACIVSA-N 1 1 379.468 2.357 20 0 GEADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824662724 609247284 /nfs/dbraw/zinc/24/72/84/609247284.db2.gz QFKJTPSNRCWWFS-KUHUBIRLSA-N 1 1 391.479 2.490 20 0 GEADMO Cc1ccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(N2CCCC2)[nH+]1 ZINC000826288193 609283113 /nfs/dbraw/zinc/28/31/13/609283113.db2.gz VKXXTCMSXCGKCS-UHFFFAOYSA-N 1 1 378.440 2.492 20 0 GEADMO c1cc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCOCC3)o2)ccc1-c1nn[nH]n1 ZINC000826513056 609284161 /nfs/dbraw/zinc/28/41/61/609284161.db2.gz YWABMOPJGQEIQP-MRXNPFEDSA-N 1 1 381.440 2.308 20 0 GEADMO C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824728752 609285856 /nfs/dbraw/zinc/28/58/56/609285856.db2.gz HBUHEDWVJUUJAU-HLLBOEOZSA-N 1 1 398.511 2.403 20 0 GEADMO C[C@@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824500119 609298188 /nfs/dbraw/zinc/29/81/88/609298188.db2.gz UDDWPPLITQZHSM-PBHICJAKSA-N 1 1 383.500 2.319 20 0 GEADMO C[C@H](NC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824500122 609298601 /nfs/dbraw/zinc/29/86/01/609298601.db2.gz UDDWPPLITQZHSM-YOEHRIQHSA-N 1 1 383.500 2.319 20 0 GEADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000825856426 609301302 /nfs/dbraw/zinc/30/13/02/609301302.db2.gz WAESHZJLSKMECC-UHFFFAOYSA-N 1 1 399.842 2.273 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825390428 609364614 /nfs/dbraw/zinc/36/46/14/609364614.db2.gz DQZPOKNDIFYHDX-LBPRGKRZSA-N 1 1 379.306 2.403 20 0 GEADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624978 609407202 /nfs/dbraw/zinc/40/72/02/609407202.db2.gz CZNYADSWZLVUOK-KSSFIOAISA-N 1 1 396.470 2.423 20 0 GEADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624978 609407204 /nfs/dbraw/zinc/40/72/04/609407204.db2.gz CZNYADSWZLVUOK-KSSFIOAISA-N 1 1 396.470 2.423 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ncc1Br ZINC000446476061 649981614 /nfs/dbraw/zinc/98/16/14/649981614.db2.gz GKPRRXCCHJUVJI-STQMWFEESA-N 1 1 397.317 2.470 20 0 GEADMO O=C1[C@H]([NH2+]Cc2cccnc2Cl)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476824 609601053 /nfs/dbraw/zinc/60/10/53/609601053.db2.gz PUHWHQYTXDNAEA-OAHLLOKOSA-N 1 1 383.843 2.200 20 0 GEADMO Cc1cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260625 609605323 /nfs/dbraw/zinc/60/53/23/609605323.db2.gz XTFLETXMEFGOJR-UHFFFAOYSA-N 1 1 389.423 2.074 20 0 GEADMO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000446661117 649985774 /nfs/dbraw/zinc/98/57/74/649985774.db2.gz DYTVMVTYNYCZNI-ZDUSSCGKSA-N 1 1 392.297 2.229 20 0 GEADMO Cc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1S(C)(=O)=O ZINC000446896828 649990067 /nfs/dbraw/zinc/99/00/67/649990067.db2.gz RNSNVYCFPCJWCH-HNNXBMFYSA-N 1 1 381.519 2.351 20 0 GEADMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000447041570 649995638 /nfs/dbraw/zinc/99/56/38/649995638.db2.gz WSXQWFKURBSTJU-SNVBAGLBSA-N 1 1 387.221 2.450 20 0 GEADMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000447041570 649995643 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[NH3+][C@H]1C[C@H](NS(=O)(=O)c2scc(Br)c2Br)C1 ZINC000479778530 650609846 /nfs/dbraw/zinc/60/98/46/650609846.db2.gz KLYIOLJUUFDJLY-URHBZAFASA-N 1 1 390.122 2.041 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2Br)C[C@@H]1C ZINC000519694902 650610769 /nfs/dbraw/zinc/61/07/69/650610769.db2.gz RKZRSDOFYOHKSS-ZFWWWQNUSA-N 1 1 396.329 2.397 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000480110851 650615877 /nfs/dbraw/zinc/61/58/77/650615877.db2.gz BXXQQJRWIYOVCH-UHFFFAOYSA-N 1 1 386.283 2.272 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000520747180 650616141 /nfs/dbraw/zinc/61/61/41/650616141.db2.gz OORPUVZXPJPKTA-RKVPGOIHSA-N 1 1 385.346 2.394 20 0 GEADMO CC(C)NC(=O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480173053 650616827 /nfs/dbraw/zinc/61/68/27/650616827.db2.gz XXIVHCFSJMQHJA-ZDUSSCGKSA-N 1 1 389.315 2.172 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000521672640 650618511 /nfs/dbraw/zinc/61/85/11/650618511.db2.gz QEQOPQXNSOXXJG-CYBMUJFWSA-N 1 1 380.901 2.466 20 0 GEADMO C[NH+](C)[C@]1(CNC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)CCSC1 ZINC000521984805 650621197 /nfs/dbraw/zinc/62/11/97/650621197.db2.gz KWVYGHFGYGXHAP-SFHVURJKSA-N 1 1 382.551 2.180 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000522150548 650622750 /nfs/dbraw/zinc/62/27/50/650622750.db2.gz MGIHVJAIOZJVGW-LLVKDONJSA-N 1 1 378.270 2.362 20 0 GEADMO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000480659736 650626931 /nfs/dbraw/zinc/62/69/31/650626931.db2.gz DNJWDWIWIVCLKF-GFCCVEGCSA-N 1 1 389.315 2.315 20 0 GEADMO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000480659736 650626934 /nfs/dbraw/zinc/62/69/34/650626934.db2.gz DNJWDWIWIVCLKF-GFCCVEGCSA-N 1 1 389.315 2.315 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000522887763 650628887 /nfs/dbraw/zinc/62/88/87/650628887.db2.gz JRPXTCCIPBYWMA-HNNXBMFYSA-N 1 1 396.310 2.397 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000522887763 650628889 /nfs/dbraw/zinc/62/88/89/650628889.db2.gz JRPXTCCIPBYWMA-HNNXBMFYSA-N 1 1 396.310 2.397 20 0 GEADMO C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000480734917 650630144 /nfs/dbraw/zinc/63/01/44/650630144.db2.gz FALBRDRSDFELKM-RHSMWYFYSA-N 1 1 380.330 2.276 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCc2n[nH]cc2Br)[C@@H](c2ccccc2)C1 ZINC000523431878 650634751 /nfs/dbraw/zinc/63/47/51/650634751.db2.gz WMQIUEBMGHULGD-OAHLLOKOSA-N 1 1 378.274 2.371 20 0 GEADMO C[N@H+]1CCN(C(=O)NCc2n[nH]cc2Br)[C@@H](c2ccccc2)C1 ZINC000523431878 650634752 /nfs/dbraw/zinc/63/47/52/650634752.db2.gz WMQIUEBMGHULGD-OAHLLOKOSA-N 1 1 378.274 2.371 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480855822 650634851 /nfs/dbraw/zinc/63/48/51/650634851.db2.gz JFSIAZSXFVJKSM-XPTSAGLGSA-N 1 1 377.279 2.349 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000524285505 650640036 /nfs/dbraw/zinc/64/00/36/650640036.db2.gz GQFBHRONWMATSR-KRWDZBQOSA-N 1 1 397.953 2.434 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525293390 650653017 /nfs/dbraw/zinc/65/30/17/650653017.db2.gz VABOZFJFLOJEIO-JTQLQIEISA-N 1 1 398.248 2.239 20 0 GEADMO C[C@H]1CC[N@H+](CCNC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000525293390 650653019 /nfs/dbraw/zinc/65/30/19/650653019.db2.gz VABOZFJFLOJEIO-JTQLQIEISA-N 1 1 398.248 2.239 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000525293390 650653022 /nfs/dbraw/zinc/65/30/22/650653022.db2.gz VABOZFJFLOJEIO-JTQLQIEISA-N 1 1 398.248 2.239 20 0 GEADMO C[C@H](OC[C@@H](O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000524893432 650648056 /nfs/dbraw/zinc/64/80/56/650648056.db2.gz RXJNJXYUZLYAOA-ZQIUZPCESA-N 1 1 375.918 2.145 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)COc2ccc(I)cc2)C1 ZINC000525291722 650653089 /nfs/dbraw/zinc/65/30/89/650653089.db2.gz PAIKHSHBFAUVIZ-LBPRGKRZSA-N 1 1 388.249 2.128 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000524970235 650648856 /nfs/dbraw/zinc/64/88/56/650648856.db2.gz UOEZPKARYZWWSV-OKILXGFUSA-N 1 1 381.318 2.366 20 0 GEADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)s1 ZINC000481581047 650649721 /nfs/dbraw/zinc/64/97/21/650649721.db2.gz VHLDLHCDSNLTFK-AWEZNQCLSA-N 1 1 386.926 2.381 20 0 GEADMO CC[N@@H+](CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)C1CC1 ZINC000481746417 650651913 /nfs/dbraw/zinc/65/19/13/650651913.db2.gz FRTIYOFXFOZWKM-UHFFFAOYSA-N 1 1 392.301 2.473 20 0 GEADMO C[C@@H](CNC(=O)NCCN(C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000481742704 650651954 /nfs/dbraw/zinc/65/19/54/650651954.db2.gz OXXRAUKKPOYKJG-LBPRGKRZSA-N 1 1 378.464 2.288 20 0 GEADMO C[C@@H](CNC(=O)NCCN(C)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000481742704 650651962 /nfs/dbraw/zinc/65/19/62/650651962.db2.gz OXXRAUKKPOYKJG-LBPRGKRZSA-N 1 1 378.464 2.288 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000525805906 650658097 /nfs/dbraw/zinc/65/80/97/650658097.db2.gz UJSSPSNJGQJLNQ-CYBMUJFWSA-N 1 1 382.302 2.027 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000525838999 650658645 /nfs/dbraw/zinc/65/86/45/650658645.db2.gz JYXDSTVYRNMHAS-CYBMUJFWSA-N 1 1 382.302 2.462 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525850371 650659560 /nfs/dbraw/zinc/65/95/60/650659560.db2.gz SRWDIJNHCCCLMC-HOTGVXAUSA-N 1 1 382.302 2.327 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000526838369 650664667 /nfs/dbraw/zinc/66/46/67/650664667.db2.gz YBZBIDHALNPWEW-UHFFFAOYSA-N 1 1 394.317 2.083 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(C(N)=O)n2)cc1Br ZINC000527046982 650666370 /nfs/dbraw/zinc/66/63/70/650666370.db2.gz BWBMQZJTIZGLKT-UHFFFAOYSA-N 1 1 377.242 2.257 20 0 GEADMO CC[N@H+](CCOc1c(Br)cccc1Br)CC(N)=O ZINC000482859022 650670044 /nfs/dbraw/zinc/67/00/44/650670044.db2.gz QJFWRRJXHKZZJJ-UHFFFAOYSA-N 1 1 380.080 2.398 20 0 GEADMO CC[N@@H+](CCOc1c(Br)cccc1Br)CC(N)=O ZINC000482859022 650670049 /nfs/dbraw/zinc/67/00/49/650670049.db2.gz QJFWRRJXHKZZJJ-UHFFFAOYSA-N 1 1 380.080 2.398 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000483940538 650683321 /nfs/dbraw/zinc/68/33/21/650683321.db2.gz DHFRQTKUHSOZPB-GHMZBOCLSA-N 1 1 386.265 2.434 20 0 GEADMO NC(=O)[C@](O)(C[N@@H+]1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527623763 650681007 /nfs/dbraw/zinc/68/10/07/650681007.db2.gz AXTVDDIVGMXFAE-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527623763 650681009 /nfs/dbraw/zinc/68/10/09/650681009.db2.gz AXTVDDIVGMXFAE-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ncc(Cl)cc1Br)CC2 ZINC000527675021 650681702 /nfs/dbraw/zinc/68/17/02/650681702.db2.gz SNOWYZKVOKJYAR-SNVBAGLBSA-N 1 1 386.681 2.340 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1Br ZINC000483959203 650683687 /nfs/dbraw/zinc/68/36/87/650683687.db2.gz LJXNIONUXYRCGC-JQWIXIFHSA-N 1 1 386.265 2.434 20 0 GEADMO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCCO1 ZINC000527758434 650682603 /nfs/dbraw/zinc/68/26/03/650682603.db2.gz VQBZIULYPFYYSB-NWDGAFQWSA-N 1 1 380.080 2.236 20 0 GEADMO O[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCCO1 ZINC000527758436 650682642 /nfs/dbraw/zinc/68/26/42/650682642.db2.gz VQBZIULYPFYYSB-VXGBXAGGSA-N 1 1 380.080 2.236 20 0 GEADMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527911244 650682810 /nfs/dbraw/zinc/68/28/10/650682810.db2.gz NZQHDNDDYSTRJJ-RKDXNWHRSA-N 1 1 383.258 2.412 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000483927131 650683054 /nfs/dbraw/zinc/68/30/54/650683054.db2.gz DWPHGPCEMYYOTP-INIZCTEOSA-N 1 1 381.929 2.197 20 0 GEADMO C[C@]1(Br)C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000527928065 650683066 /nfs/dbraw/zinc/68/30/66/650683066.db2.gz UFOZRNZXHGXJDS-WBVHZDCISA-N 1 1 384.293 2.237 20 0 GEADMO O=C(c1cc(O)cc(Br)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000528278084 650687425 /nfs/dbraw/zinc/68/74/25/650687425.db2.gz KJPGNSSLVFJVNW-INIZCTEOSA-N 1 1 383.286 2.482 20 0 GEADMO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000528287956 650687574 /nfs/dbraw/zinc/68/75/74/650687574.db2.gz WPXCPSWDPFIHSZ-LBPRGKRZSA-N 1 1 376.404 2.020 20 0 GEADMO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000528329784 650688789 /nfs/dbraw/zinc/68/87/89/650688789.db2.gz KUUPEFVYRDDOFN-LBTNJELSSA-N 1 1 394.313 2.496 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000484668274 650688865 /nfs/dbraw/zinc/68/88/65/650688865.db2.gz GDZMPYVAQJRXSL-LSDHHAIUSA-N 1 1 398.345 2.478 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194494 650694193 /nfs/dbraw/zinc/69/41/93/650694193.db2.gz IAXIUBSAKMFYDX-OCCSQVGLSA-N 1 1 385.917 2.261 20 0 GEADMO C[C@]1(Br)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528915227 650699116 /nfs/dbraw/zinc/69/91/16/650699116.db2.gz IUWWPHPPBIKTPS-CBZIJGRNSA-N 1 1 381.314 2.159 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000485771101 650700086 /nfs/dbraw/zinc/70/00/86/650700086.db2.gz PNFNKNLCPGITEA-SCZZXKLOSA-N 1 1 375.782 2.215 20 0 GEADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000485849502 650701303 /nfs/dbraw/zinc/70/13/03/650701303.db2.gz VLRDDHPHOXAZTC-SJORKVTESA-N 1 1 384.307 2.283 20 0 GEADMO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529721872 650705107 /nfs/dbraw/zinc/70/51/07/650705107.db2.gz ZSBYVAIGGCEMJR-CQSZACIVSA-N 1 1 385.555 2.135 20 0 GEADMO CC(C)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000486046813 650706237 /nfs/dbraw/zinc/70/62/37/650706237.db2.gz TVVHQBQLQIZVIH-MRXNPFEDSA-N 1 1 380.330 2.233 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000486362810 650712372 /nfs/dbraw/zinc/71/23/72/650712372.db2.gz VZJZOGDLEVMYNO-KOLCDFICSA-N 1 1 379.404 2.213 20 0 GEADMO COc1c(Br)cc(Br)cc1CNC[C@H]1COCC[NH2+]1 ZINC000530180552 650717204 /nfs/dbraw/zinc/71/72/04/650717204.db2.gz CPOOPIBQNMKXSZ-NSHDSACASA-N 1 1 394.107 2.298 20 0 GEADMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807760 650722782 /nfs/dbraw/zinc/72/27/82/650722782.db2.gz AGLZKKLZKXNRIC-SJORKVTESA-N 1 1 375.579 2.063 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383374 650724500 /nfs/dbraw/zinc/72/45/00/650724500.db2.gz ZRNPSXFBNYMNOM-OCCSQVGLSA-N 1 1 385.295 2.492 20 0 GEADMO O=C(Cn1cc(Br)cn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487087232 650727463 /nfs/dbraw/zinc/72/74/63/650727463.db2.gz NPZPWLKYIGXDGJ-MRXNPFEDSA-N 1 1 391.313 2.326 20 0 GEADMO CCCN(CCC)S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000530955363 650731689 /nfs/dbraw/zinc/73/16/89/650731689.db2.gz BFCGQPWSJNDODM-UHFFFAOYSA-N 1 1 375.579 2.226 20 0 GEADMO Cc1ccc(Sc2nsc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)n2)cc1 ZINC000487325357 650732866 /nfs/dbraw/zinc/73/28/66/650732866.db2.gz WSQWPFOSZBAQLH-CQSZACIVSA-N 1 1 375.523 2.326 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000531023577 650733424 /nfs/dbraw/zinc/73/34/24/650733424.db2.gz UUGDDGFSWMNVJU-UHFFFAOYSA-N 1 1 390.272 2.485 20 0 GEADMO C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CCOCC1 ZINC000531104580 650734995 /nfs/dbraw/zinc/73/49/95/650734995.db2.gz JRCAVGNOQHRBMF-UHFFFAOYSA-N 1 1 387.311 2.148 20 0 GEADMO CCn1cncc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000531364691 650737488 /nfs/dbraw/zinc/73/74/88/650737488.db2.gz HLXQXRIMJSJIKT-UHFFFAOYSA-N 1 1 382.917 2.499 20 0 GEADMO COc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1I ZINC000531655579 650741955 /nfs/dbraw/zinc/74/19/55/650741955.db2.gz HVYXDULEHPRKBP-NSHDSACASA-N 1 1 388.249 2.371 20 0 GEADMO Cc1nc(CC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000531709447 650742987 /nfs/dbraw/zinc/74/29/87/650742987.db2.gz ILZMHKFHGBPSFL-MRXNPFEDSA-N 1 1 378.567 2.469 20 0 GEADMO C[NH+](C)CCN(C(=S)Nc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008149767 642348834 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C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000498707259 650863091 /nfs/dbraw/zinc/86/30/91/650863091.db2.gz HCVPDQNWEDHDJA-ZIAGYGMSSA-N 1 1 394.313 2.355 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000498710658 650863154 /nfs/dbraw/zinc/86/31/54/650863154.db2.gz QMIAITPLJAINMD-WDEREUQCSA-N 1 1 388.331 2.182 20 0 GEADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000498729962 650863280 /nfs/dbraw/zinc/86/32/80/650863280.db2.gz OUHRHMPPYLZXJD-LLVKDONJSA-N 1 1 388.331 2.135 20 0 GEADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cncc(Br)c1 ZINC000126970961 643752627 /nfs/dbraw/zinc/75/26/27/643752627.db2.gz RIWGSYYLVXYAGM-IAGOWNOFSA-N 1 1 390.281 2.209 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000540542280 650863572 /nfs/dbraw/zinc/86/35/72/650863572.db2.gz ITFZXZBICAZIOI-UHFFFAOYSA-N 1 1 376.254 2.282 20 0 GEADMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000127386532 643774823 /nfs/dbraw/zinc/77/48/23/643774823.db2.gz AHEUVHPOWUCHAG-ZIAGYGMSSA-N 1 1 376.469 2.274 20 0 GEADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000127404257 643775526 /nfs/dbraw/zinc/77/55/26/643775526.db2.gz LNUFKLRKPXDCHR-HZPDHXFCSA-N 1 1 390.281 2.209 20 0 GEADMO Cc1sc2ncn(CCC(=O)OCC[NH+]3CCSCC3)c(=O)c2c1C ZINC000127583126 643779759 /nfs/dbraw/zinc/77/97/59/643779759.db2.gz LDPALFHHGAGQER-UHFFFAOYSA-N 1 1 381.523 2.057 20 0 GEADMO C[N@@H+](CCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000128564064 643804593 /nfs/dbraw/zinc/80/45/93/643804593.db2.gz OROYJOSAWHURPM-HNNXBMFYSA-N 1 1 391.269 2.300 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000128639124 643808190 /nfs/dbraw/zinc/80/81/90/643808190.db2.gz IWEAYKXLYFBKLS-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)C1 ZINC000128894527 643812392 /nfs/dbraw/zinc/81/23/92/643812392.db2.gz OONNWTSSYMBQEW-HNNXBMFYSA-N 1 1 375.579 2.352 20 0 GEADMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000128894278 643812553 /nfs/dbraw/zinc/81/25/53/643812553.db2.gz XPHRBORSVLRZMY-ZDUSSCGKSA-N 1 1 386.290 2.378 20 0 GEADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000129216592 643819005 /nfs/dbraw/zinc/81/90/05/643819005.db2.gz RQXIAJCFWQCWDG-IUODEOHRSA-N 1 1 392.297 2.352 20 0 GEADMO CC(C)N(CCS(C)(=O)=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000129921851 643827828 /nfs/dbraw/zinc/82/78/28/643827828.db2.gz WIDGWFIDSYGDMX-CALCHBBNSA-N 1 1 375.579 2.209 20 0 GEADMO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000541111860 650871840 /nfs/dbraw/zinc/87/18/40/650871840.db2.gz VSLNQRSITVJQIB-CQSZACIVSA-N 1 1 386.470 2.255 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000132240823 643881454 /nfs/dbraw/zinc/88/14/54/643881454.db2.gz QFMQILCSUNHCRH-IXDOHACOSA-N 1 1 386.631 2.035 20 0 GEADMO CN1CC[NH+](CCCCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000132945781 643889683 /nfs/dbraw/zinc/88/96/83/643889683.db2.gz PXYPIMKEEXRZGL-UHFFFAOYSA-N 1 1 394.368 2.440 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000134517340 643904974 /nfs/dbraw/zinc/90/49/74/643904974.db2.gz SJDNBYDSNUNVEL-AWEZNQCLSA-N 1 1 385.917 2.094 20 0 GEADMO C[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000151322900 643937230 /nfs/dbraw/zinc/93/72/30/643937230.db2.gz AKHUXNVHFKJMJQ-YGRLFVJLSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000151322900 643937233 /nfs/dbraw/zinc/93/72/33/643937233.db2.gz AKHUXNVHFKJMJQ-YGRLFVJLSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C[N@H+]1C1CC1 ZINC000151885769 643958653 /nfs/dbraw/zinc/95/86/53/643958653.db2.gz JGYNYVJPJPZJTR-GXSJLCMTSA-N 1 1 384.249 2.268 20 0 GEADMO CC(=O)N[C@H](CC(=O)NCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000499416429 650883514 /nfs/dbraw/zinc/88/35/14/650883514.db2.gz MSYIIRUINKNDBZ-MRXNPFEDSA-N 1 1 393.285 2.338 20 0 GEADMO C[C@@H](CO)N(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000153320071 643984627 /nfs/dbraw/zinc/98/46/27/643984627.db2.gz CUDNKESHKIBLEG-ZDUSSCGKSA-N 1 1 384.318 2.436 20 0 GEADMO CC(C)[C@H]1C[N@H+](C)CCN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000153603348 643996833 /nfs/dbraw/zinc/99/68/33/643996833.db2.gz PRGGLCNGINTCHG-CQSZACIVSA-N 1 1 380.286 2.208 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1CN1c2cccc(Br)c2C(=O)C1=O ZINC000153603348 643996838 /nfs/dbraw/zinc/99/68/38/643996838.db2.gz PRGGLCNGINTCHG-CQSZACIVSA-N 1 1 380.286 2.208 20 0 GEADMO CN(CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Br)s1 ZINC000153705756 644002742 /nfs/dbraw/zinc/00/27/42/644002742.db2.gz SUEXTNBBYIFBMU-NSHDSACASA-N 1 1 388.331 2.135 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000153747128 644003552 /nfs/dbraw/zinc/00/35/52/644003552.db2.gz BXTHCRKERGBXOB-JTQLQIEISA-N 1 1 388.693 2.499 20 0 GEADMO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153779834 644005429 /nfs/dbraw/zinc/00/54/29/644005429.db2.gz KNARFYVIGWQAHB-CYBMUJFWSA-N 1 1 382.302 2.462 20 0 GEADMO C[C@@H](C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000153807692 644006858 /nfs/dbraw/zinc/00/68/58/644006858.db2.gz QIHSWRUBVXUWEI-FZMZJTMJSA-N 1 1 378.416 2.172 20 0 GEADMO CCOc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1OC(F)F ZINC000154138376 644020838 /nfs/dbraw/zinc/02/08/38/644020838.db2.gz KVBIGSUEJZAKOW-ZDUSSCGKSA-N 1 1 378.441 2.200 20 0 GEADMO CCOc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1OC(F)F ZINC000154138376 644020840 /nfs/dbraw/zinc/02/08/40/644020840.db2.gz KVBIGSUEJZAKOW-ZDUSSCGKSA-N 1 1 378.441 2.200 20 0 GEADMO COc1cc(OC)c(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1Br ZINC000154244297 644028073 /nfs/dbraw/zinc/02/80/73/644028073.db2.gz RPFMJNUQHATEMH-NSHDSACASA-N 1 1 386.290 2.041 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cnc(C(C)C)s3)C2)cc1 ZINC000154607665 644055657 /nfs/dbraw/zinc/05/56/57/644055657.db2.gz KTEPMYIRQFLPJI-UHFFFAOYSA-N 1 1 381.523 2.438 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cnc(C4CC4)s3)C2)cc1 ZINC000154609533 644055916 /nfs/dbraw/zinc/05/59/16/644055916.db2.gz PLHQCGUGMPGKTO-UHFFFAOYSA-N 1 1 379.507 2.192 20 0 GEADMO C[N@@H+](CC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)[C@@H]1CCSC1 ZINC000155592440 644076715 /nfs/dbraw/zinc/07/67/15/644076715.db2.gz YQFXRSWOAWOBBZ-CQSZACIVSA-N 1 1 381.571 2.045 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000499691622 650890739 /nfs/dbraw/zinc/89/07/39/650890739.db2.gz KGOVWVRFSWHOMM-KFWWJZLASA-N 1 1 398.345 2.477 20 0 GEADMO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000156389463 644093719 /nfs/dbraw/zinc/09/37/19/644093719.db2.gz GCJDUSGIQGHPIP-LBPRGKRZSA-N 1 1 375.263 2.223 20 0 GEADMO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1I ZINC000156543626 644102243 /nfs/dbraw/zinc/10/22/43/644102243.db2.gz NEBQNPFJPJWOIP-GFCCVEGCSA-N 1 1 388.249 2.466 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156641311 644109510 /nfs/dbraw/zinc/10/95/10/644109510.db2.gz OMFAGPTVJWARQE-UHFFFAOYSA-N 1 1 398.330 2.398 20 0 GEADMO O=C1NCCCN1C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000158617784 644151627 /nfs/dbraw/zinc/15/16/27/644151627.db2.gz FHIOZJDLSZUFGD-MRXNPFEDSA-N 1 1 382.302 2.362 20 0 GEADMO COC(=O)[C@@H](NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(Br)c1 ZINC000158930253 644168505 /nfs/dbraw/zinc/16/85/05/644168505.db2.gz VSASREDLXNYINI-CVEARBPZSA-N 1 1 383.286 2.116 20 0 GEADMO COC(=O)[C@@H](NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(Br)c1 ZINC000158930253 644168510 /nfs/dbraw/zinc/16/85/10/644168510.db2.gz VSASREDLXNYINI-CVEARBPZSA-N 1 1 383.286 2.116 20 0 GEADMO CCC(=O)NNC(=O)[C@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159622097 644192960 /nfs/dbraw/zinc/19/29/60/644192960.db2.gz QSJHXSOQXDUHBV-LBPRGKRZSA-N 1 1 386.290 2.096 20 0 GEADMO CCC(=O)NNC(=O)[C@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000159622097 644192962 /nfs/dbraw/zinc/19/29/62/644192962.db2.gz QSJHXSOQXDUHBV-LBPRGKRZSA-N 1 1 386.290 2.096 20 0 GEADMO CCC(=O)NNC(=O)[C@@H](C)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159621971 644193049 /nfs/dbraw/zinc/19/30/49/644193049.db2.gz QSJHXSOQXDUHBV-GFCCVEGCSA-N 1 1 386.290 2.096 20 0 GEADMO CCC(=O)NNC(=O)[C@@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000159621971 644193050 /nfs/dbraw/zinc/19/30/50/644193050.db2.gz QSJHXSOQXDUHBV-GFCCVEGCSA-N 1 1 386.290 2.096 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000162098715 644232516 /nfs/dbraw/zinc/23/25/16/644232516.db2.gz XVHSDLIIMBCHFA-NSHDSACASA-N 1 1 377.869 2.200 20 0 GEADMO C[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000162418957 644236649 /nfs/dbraw/zinc/23/66/49/644236649.db2.gz IULARQUSTQVMSL-ZDUSSCGKSA-N 1 1 396.329 2.221 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162508107 644238114 /nfs/dbraw/zinc/23/81/14/644238114.db2.gz XSBGAGJQZCBYQD-JTQLQIEISA-N 1 1 395.269 2.490 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162508107 644238120 /nfs/dbraw/zinc/23/81/20/644238120.db2.gz XSBGAGJQZCBYQD-JTQLQIEISA-N 1 1 395.269 2.490 20 0 GEADMO OCC[N@@H+](CCN1CCOCC1)Cc1cc(Br)cc2cccnc21 ZINC000164124916 644259204 /nfs/dbraw/zinc/25/92/04/644259204.db2.gz NXNCXHWEMCVIJM-UHFFFAOYSA-N 1 1 394.313 2.124 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@@H]21 ZINC000164645856 644267242 /nfs/dbraw/zinc/26/72/42/644267242.db2.gz CKXCBAHCNOJNKY-JSGCOSHPSA-N 1 1 392.297 2.352 20 0 GEADMO CNC(=O)CC[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000170783034 644286591 /nfs/dbraw/zinc/28/65/91/644286591.db2.gz DRKBZAWRONZCKR-UHFFFAOYSA-N 1 1 396.207 2.474 20 0 GEADMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000170783034 644286599 /nfs/dbraw/zinc/28/65/99/644286599.db2.gz DRKBZAWRONZCKR-UHFFFAOYSA-N 1 1 396.207 2.474 20 0 GEADMO COC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000171064542 644305435 /nfs/dbraw/zinc/30/54/35/644305435.db2.gz OFJZYMRNNZNRSM-AWEZNQCLSA-N 1 1 383.286 2.293 20 0 GEADMO COC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000171064542 644305438 /nfs/dbraw/zinc/30/54/38/644305438.db2.gz OFJZYMRNNZNRSM-AWEZNQCLSA-N 1 1 383.286 2.293 20 0 GEADMO COc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C)cc(Br)c1OC ZINC000171190550 644315217 /nfs/dbraw/zinc/31/52/17/644315217.db2.gz DIFDHFQCBZVCSY-GFCCVEGCSA-N 1 1 386.290 2.360 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173584150 644360190 /nfs/dbraw/zinc/36/01/90/644360190.db2.gz NOCAVBWMOQSPOD-HNNXBMFYSA-N 1 1 378.300 2.294 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000543581940 650914807 /nfs/dbraw/zinc/91/48/07/650914807.db2.gz NHMBMEHVJFLISM-ZDUSSCGKSA-N 1 1 379.555 2.484 20 0 GEADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174652285 644378669 /nfs/dbraw/zinc/37/86/69/644378669.db2.gz XPERBBRDWHYHKH-SNVBAGLBSA-N 1 1 384.249 2.127 20 0 GEADMO CCc1ccc(C[NH+]2CCN(Cc3csc(CC(=O)NC)n3)CC2)s1 ZINC000177647685 644422025 /nfs/dbraw/zinc/42/20/25/644422025.db2.gz IHMKTLTUWSHCKY-UHFFFAOYSA-N 1 1 378.567 2.373 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000179363753 644457759 /nfs/dbraw/zinc/45/77/59/644457759.db2.gz GFIRYCVBSVDWEF-GDBMZVCRSA-N 1 1 397.313 2.398 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)Nc1cccnc1Br)Cc1ccccc1 ZINC000179559151 644463871 /nfs/dbraw/zinc/46/38/71/644463871.db2.gz FIHMPDXQPAAXNO-UHFFFAOYSA-N 1 1 391.269 2.031 20 0 GEADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179728563 644472777 /nfs/dbraw/zinc/47/27/77/644472777.db2.gz DMYAQGIKLJJECX-GFCCVEGCSA-N 1 1 383.290 2.019 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000180008241 644483185 /nfs/dbraw/zinc/48/31/85/644483185.db2.gz HIGSRQYGLAGOOH-CYBMUJFWSA-N 1 1 397.273 2.005 20 0 GEADMO CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000543938350 650928327 /nfs/dbraw/zinc/92/83/27/650928327.db2.gz WJBYHLHCMWPSSE-LLVKDONJSA-N 1 1 394.269 2.089 20 0 GEADMO CN(C)C(=O)NCC[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544609314 650945627 /nfs/dbraw/zinc/94/56/27/650945627.db2.gz LDTWXDLARQUKNG-UHFFFAOYSA-N 1 1 380.290 2.338 20 0 GEADMO CN(C)C(=O)NCC[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544609314 650945628 /nfs/dbraw/zinc/94/56/28/650945628.db2.gz LDTWXDLARQUKNG-UHFFFAOYSA-N 1 1 380.290 2.338 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000544872260 650956679 /nfs/dbraw/zinc/95/66/79/650956679.db2.gz HVADVTBWQQDJRC-LLVKDONJSA-N 1 1 388.249 2.411 20 0 GEADMO COc1ccc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000545123489 650961884 /nfs/dbraw/zinc/96/18/84/650961884.db2.gz AQRGYYZXIKADMQ-UHFFFAOYSA-N 1 1 389.315 2.388 20 0 GEADMO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1Br ZINC000545123489 650961894 /nfs/dbraw/zinc/96/18/94/650961894.db2.gz AQRGYYZXIKADMQ-UHFFFAOYSA-N 1 1 389.315 2.388 20 0 GEADMO C[N@H+]1CCCC12CCN(C(=O)CCn1cc(Br)ccc1=O)CC2 ZINC000544943302 650958986 /nfs/dbraw/zinc/95/89/86/650958986.db2.gz RYNWXHBALRHAHF-UHFFFAOYSA-N 1 1 382.302 2.088 20 0 GEADMO O=c1[nH]cc(Br)cc1Cc1noc([C@H]2CCn3c[nH+]cc3C2)n1 ZINC000545047644 650960681 /nfs/dbraw/zinc/96/06/81/650960681.db2.gz YUJUXRSAJKBBHT-VIFPVBQESA-N 1 1 376.214 2.450 20 0 GEADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545153691 650962903 /nfs/dbraw/zinc/96/29/03/650962903.db2.gz RDUAHUJYQCJRPV-ZUZCIYMTSA-N 1 1 391.693 2.053 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@H+]1C ZINC000545156630 650963462 /nfs/dbraw/zinc/96/34/62/650963462.db2.gz YWPCJWIQRYDLKI-ONGXEEELSA-N 1 1 375.803 2.479 20 0 GEADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c2ccc(Br)cc2n1 ZINC000545172535 650963753 /nfs/dbraw/zinc/96/37/53/650963753.db2.gz GCIPQWZNQZOTOA-QGZVFWFLSA-N 1 1 378.270 2.102 20 0 GEADMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181881242 644951525 /nfs/dbraw/zinc/95/15/25/644951525.db2.gz BAZAHBCCNVCROJ-AGIUHOORSA-N 1 1 383.432 2.199 20 0 GEADMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181881242 644951526 /nfs/dbraw/zinc/95/15/26/644951526.db2.gz BAZAHBCCNVCROJ-AGIUHOORSA-N 1 1 383.432 2.199 20 0 GEADMO CN1CCO[C@H]([C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2ccc(Cl)cc2)C1 ZINC000545233754 650966066 /nfs/dbraw/zinc/96/60/66/650966066.db2.gz AJVXURNRHDRDNV-FGTMMUONSA-N 1 1 386.945 2.269 20 0 GEADMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000183074181 644978434 /nfs/dbraw/zinc/97/84/34/644978434.db2.gz FMVJMDYPSDPBPK-QKFKETGDSA-N 1 1 396.310 2.492 20 0 GEADMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC000183164779 644982677 /nfs/dbraw/zinc/98/26/77/644982677.db2.gz OHDAVXUCOGROTG-YMXBGEKHSA-N 1 1 380.539 2.484 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1Br ZINC000183167517 644983451 /nfs/dbraw/zinc/98/34/51/644983451.db2.gz UDISLUSJSKEMOS-UWVGGRQHSA-N 1 1 375.288 2.023 20 0 GEADMO C[NH+](C)CCCNC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000183185815 644985332 /nfs/dbraw/zinc/98/53/32/644985332.db2.gz GHNKJRLYICVJPI-UHFFFAOYSA-N 1 1 398.330 2.394 20 0 GEADMO O=S(=O)(NCCC[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1Cl ZINC000545272535 650967942 /nfs/dbraw/zinc/96/79/42/650967942.db2.gz YDDTWLXEQRGNHT-UHFFFAOYSA-N 1 1 385.961 2.472 20 0 GEADMO CCN(C(=O)C[NH2+][C@H](C)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000183796061 645004028 /nfs/dbraw/zinc/00/40/28/645004028.db2.gz QERIVSSYJBBADK-DGCLKSJQSA-N 1 1 376.881 2.165 20 0 GEADMO C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000183798993 645004047 /nfs/dbraw/zinc/00/40/47/645004047.db2.gz KVYSVONTYABYDX-JTQLQIEISA-N 1 1 385.848 2.416 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000185078970 645033950 /nfs/dbraw/zinc/03/39/50/645033950.db2.gz QACQBZGDWYLCED-HUUCEWRRSA-N 1 1 384.571 2.299 20 0 GEADMO O=C(NCCc1cc(Br)ccc1F)NCC[N@H+]1CCCOCC1 ZINC000187043970 645080609 /nfs/dbraw/zinc/08/06/09/645080609.db2.gz VUXAYVFUJRFSNT-UHFFFAOYSA-N 1 1 388.281 2.152 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000187623748 645095247 /nfs/dbraw/zinc/09/52/47/645095247.db2.gz AKUYUBKCQNEDTB-AWEZNQCLSA-N 1 1 383.334 2.193 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000187908559 645099536 /nfs/dbraw/zinc/09/95/36/645099536.db2.gz QYZDHMMIDKHWRQ-MRXNPFEDSA-N 1 1 375.579 2.401 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1sccc1Br ZINC000188103785 645107722 /nfs/dbraw/zinc/10/77/22/645107722.db2.gz ILMMZTSPVFJYKY-NSHDSACASA-N 1 1 390.347 2.497 20 0 GEADMO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000190295079 645149631 /nfs/dbraw/zinc/14/96/31/645149631.db2.gz QVGCMISYHMTBEH-BXUZGUMPSA-N 1 1 379.448 2.449 20 0 GEADMO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000190295079 645149637 /nfs/dbraw/zinc/14/96/37/645149637.db2.gz QVGCMISYHMTBEH-BXUZGUMPSA-N 1 1 379.448 2.449 20 0 GEADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000190374962 645155088 /nfs/dbraw/zinc/15/50/88/645155088.db2.gz JDRYNJRUHALKMS-CQSZACIVSA-N 1 1 392.924 2.394 20 0 GEADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000190374962 645155092 /nfs/dbraw/zinc/15/50/92/645155092.db2.gz JDRYNJRUHALKMS-CQSZACIVSA-N 1 1 392.924 2.394 20 0 GEADMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)N1 ZINC000192672879 645220431 /nfs/dbraw/zinc/22/04/31/645220431.db2.gz LFBKIEYCZGXWSI-KRWDZBQOSA-N 1 1 389.253 2.171 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000192896319 645228311 /nfs/dbraw/zinc/22/83/11/645228311.db2.gz LJXPKSIMEVUZAK-CQSZACIVSA-N 1 1 384.318 2.402 20 0 GEADMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC000192918020 645230355 /nfs/dbraw/zinc/23/03/55/645230355.db2.gz PARDYQXOSCHBHR-TXEJJXNPSA-N 1 1 393.734 2.426 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000546173184 650994294 /nfs/dbraw/zinc/99/42/94/650994294.db2.gz SUNFFRGCJITLLR-NHYWBVRUSA-N 1 1 389.315 2.172 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC[NH2+]1 ZINC000193278532 645260431 /nfs/dbraw/zinc/26/04/31/645260431.db2.gz YZIBJXPKJWJAJP-MRVPVSSYSA-N 1 1 387.221 2.450 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193285506 645261740 /nfs/dbraw/zinc/26/17/40/645261740.db2.gz ZWPKDFQOLAGCGL-UHFFFAOYSA-N 1 1 382.302 2.333 20 0 GEADMO O=C1NCCN1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000193489605 645278329 /nfs/dbraw/zinc/27/83/29/645278329.db2.gz WJOWCKHTBBMUFL-UHFFFAOYSA-N 1 1 382.258 2.167 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2[nH]c3ccccc3c2Br)[C@@H](C)C1 ZINC000194024188 645308528 /nfs/dbraw/zinc/30/85/28/645308528.db2.gz PTESJWVKMSEWMT-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2[nH]c3ccccc3c2Br)[C@@H](C)C1 ZINC000194024188 645308543 /nfs/dbraw/zinc/30/85/43/645308543.db2.gz PTESJWVKMSEWMT-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194338277 645322760 /nfs/dbraw/zinc/32/27/60/645322760.db2.gz HKBRTAUQTXFXPU-UHFFFAOYSA-N 1 1 394.313 2.429 20 0 GEADMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000546579892 651002901 /nfs/dbraw/zinc/00/29/01/651002901.db2.gz MHMWQLVKNPNUDW-UHFFFAOYSA-N 1 1 384.249 2.295 20 0 GEADMO C[N@@H+]1CC=C(CNc2ncnc3cccc(I)c32)CC1 ZINC000546580491 651003065 /nfs/dbraw/zinc/00/30/65/651003065.db2.gz RNZSZOYAIJPCCG-UHFFFAOYSA-N 1 1 380.233 2.908 20 0 GEADMO O=S(=O)(CCc1cccs1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000195352189 645373844 /nfs/dbraw/zinc/37/38/44/645373844.db2.gz LYCPWJHTHPYUPU-UHFFFAOYSA-N 1 1 380.535 2.242 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1ccc(I)cc1 ZINC000226226662 645389852 /nfs/dbraw/zinc/38/98/52/645389852.db2.gz DESQYFGZHBHGJX-UHFFFAOYSA-N 1 1 376.263 2.070 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000228172472 645395824 /nfs/dbraw/zinc/39/58/24/645395824.db2.gz YTSCWHUTTICJKE-NWDGAFQWSA-N 1 1 388.249 2.241 20 0 GEADMO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245541052 645459584 /nfs/dbraw/zinc/45/95/84/645459584.db2.gz 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CC[C@@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)[C@@H](O)C(F)(F)F ZINC000270846233 646141754 /nfs/dbraw/zinc/14/17/54/646141754.db2.gz IZSIWMKUSKTYHV-ZIAGYGMSSA-N 1 1 379.448 2.482 20 0 GEADMO Cc1ccc(Br)c(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000270884572 646147701 /nfs/dbraw/zinc/14/77/01/646147701.db2.gz WPTWLVWNDMUMHL-UHFFFAOYSA-N 1 1 399.314 2.002 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000270921706 646153196 /nfs/dbraw/zinc/15/31/96/646153196.db2.gz UORLUGXWCJTMLX-KGLIPLIRSA-N 1 1 396.285 2.091 20 0 GEADMO CCOCCOc1ccc(Br)cc1C[N@@H+](CCO)CCOC ZINC000271150066 646178124 /nfs/dbraw/zinc/17/81/24/646178124.db2.gz JZUSSJBLYJLKMM-UHFFFAOYSA-N 1 1 376.291 2.305 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000271249992 646184007 /nfs/dbraw/zinc/18/40/07/646184007.db2.gz DIZRKBSJPOHMRH-AWEZNQCLSA-N 1 1 392.301 2.494 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)c1nccn2c(Br)cnc12 ZINC000271421932 646204003 /nfs/dbraw/zinc/20/40/03/646204003.db2.gz 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386.905 2.269 20 0 GEADMO Cn1cc([C@H](O)C[NH2+]Cc2ncc(Br)cc2Br)cn1 ZINC000273160649 646307085 /nfs/dbraw/zinc/30/70/85/646307085.db2.gz BHOMZHAFEXYBMI-GFCCVEGCSA-N 1 1 390.079 2.163 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000274495301 646322044 /nfs/dbraw/zinc/32/20/44/646322044.db2.gz IDPALNUCTBQMGK-BMIGLBTASA-N 1 1 398.276 2.434 20 0 GEADMO Cc1c(Br)scc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000274777916 646330485 /nfs/dbraw/zinc/33/04/85/646330485.db2.gz VVXQEJHURUQUCR-UHFFFAOYSA-N 1 1 388.331 2.055 20 0 GEADMO COCC[NH+]1CCN(Cc2ncc(Br)cc2Br)CC1 ZINC000274933373 646335347 /nfs/dbraw/zinc/33/53/47/646335347.db2.gz YIIQKKBQEDLVGI-UHFFFAOYSA-N 1 1 393.123 2.371 20 0 GEADMO O=S(=O)(NC[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)c(F)c1 ZINC000275209565 646349101 /nfs/dbraw/zinc/34/91/01/646349101.db2.gz ARUOCBSUYPGXDH-SNVBAGLBSA-N 1 1 388.262 2.326 20 0 GEADMO CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000277334004 646403849 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O=C1[C@@H]([N@H+]2CCC[C@H](OCCO)C2)CCN1c1cccc(Br)c1 ZINC000277604231 646449884 /nfs/dbraw/zinc/44/98/84/646449884.db2.gz VYCPRVFXKQFDNP-HOTGVXAUSA-N 1 1 383.286 2.028 20 0 GEADMO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000277742565 646469557 /nfs/dbraw/zinc/46/95/57/646469557.db2.gz KWXKWLDEOBLJHL-LSDHHAIUSA-N 1 1 376.316 2.382 20 0 GEADMO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000277742565 646469560 /nfs/dbraw/zinc/46/95/60/646469560.db2.gz KWXKWLDEOBLJHL-LSDHHAIUSA-N 1 1 376.316 2.382 20 0 GEADMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000278298505 646511494 /nfs/dbraw/zinc/51/14/94/646511494.db2.gz LOCSNSQDXGHNDL-DOMZBBRYSA-N 1 1 376.266 2.434 20 0 GEADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000278298505 646511497 /nfs/dbraw/zinc/51/14/97/646511497.db2.gz LOCSNSQDXGHNDL-DOMZBBRYSA-N 1 1 376.266 2.434 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000278608385 646529970 /nfs/dbraw/zinc/52/99/70/646529970.db2.gz IZSFZZSHEGOEEQ-CXAGYDPISA-N 1 1 396.329 2.161 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000278673425 646538111 /nfs/dbraw/zinc/53/81/11/646538111.db2.gz LQUJGHKLHNZROO-UKRRQHHQSA-N 1 1 388.302 2.304 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2OC)C1 ZINC000278673425 646538116 /nfs/dbraw/zinc/53/81/16/646538116.db2.gz LQUJGHKLHNZROO-UKRRQHHQSA-N 1 1 388.302 2.304 20 0 GEADMO Cc1nn(C)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1Br ZINC000279127946 646580022 /nfs/dbraw/zinc/58/00/22/646580022.db2.gz MHIRWHZDKGGJKM-INIZCTEOSA-N 1 1 393.329 2.482 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000279232714 646586003 /nfs/dbraw/zinc/58/60/03/646586003.db2.gz QMWBMYWZJUMFJX-NSHDSACASA-N 1 1 393.962 2.352 20 0 GEADMO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)s1 ZINC000279683452 646622198 /nfs/dbraw/zinc/62/21/98/646622198.db2.gz FBMXHKPHZSASSV-KBPBESRZSA-N 1 1 387.571 2.461 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000279774206 646625811 /nfs/dbraw/zinc/62/58/11/646625811.db2.gz BJUXBCOWLOPXQD-SECBINFHSA-N 1 1 378.673 2.217 20 0 GEADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000280288535 646667627 /nfs/dbraw/zinc/66/76/27/646667627.db2.gz SAUULMSJXLDLGI-CQSZACIVSA-N 1 1 387.933 2.402 20 0 GEADMO C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1Cl ZINC000280316014 646670598 /nfs/dbraw/zinc/67/05/98/646670598.db2.gz OWTWTNLKABSDIN-AWEZNQCLSA-N 1 1 384.889 2.360 20 0 GEADMO C[C@H](CO)[N@@H+](Cc1nnnn1-c1ccccc1Br)CC1CCC1 ZINC000280347931 646672172 /nfs/dbraw/zinc/67/21/72/646672172.db2.gz ITTLWLVUELSYPN-GFCCVEGCSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@H](CO)[N@H+](Cc1nnnn1-c1ccccc1Br)CC1CCC1 ZINC000280347931 646672174 /nfs/dbraw/zinc/67/21/74/646672174.db2.gz ITTLWLVUELSYPN-GFCCVEGCSA-N 1 1 380.290 2.408 20 0 GEADMO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280364650 646674369 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C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000662583680 652468785 /nfs/dbraw/zinc/46/87/85/652468785.db2.gz GJTUCFYBLUKFEV-BCUIYNNISA-N 1 1 384.318 2.063 20 0 GEADMO C[C@@H](C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[NH+]1CCSCC1 ZINC000628741825 652469588 /nfs/dbraw/zinc/46/95/88/652469588.db2.gz RYHKWUSIZPGLEO-YOEHRIQHSA-N 1 1 383.945 2.099 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2ccccc12 ZINC000755754262 652475198 /nfs/dbraw/zinc/47/51/98/652475198.db2.gz VTWRVYYAQANEEO-OLZOCXBDSA-N 1 1 378.270 2.475 20 0 GEADMO C[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@@H]1CCSC1 ZINC000755798123 652476756 /nfs/dbraw/zinc/47/67/56/652476756.db2.gz QIGFGYLYRKZTNG-GFCCVEGCSA-N 1 1 398.282 2.139 20 0 GEADMO C[N@@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@@H]1CCSC1 ZINC000755798123 652476762 /nfs/dbraw/zinc/47/67/62/652476762.db2.gz QIGFGYLYRKZTNG-GFCCVEGCSA-N 1 1 398.282 2.139 20 0 GEADMO [NH3+][C@@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1ccccc1Br ZINC000662911458 652478316 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CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599349725 652863147 /nfs/dbraw/zinc/86/31/47/652863147.db2.gz RBPADUUURKOTLG-UHFFFAOYSA-N 1 1 378.441 2.150 20 0 GEADMO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000599349209 652863212 /nfs/dbraw/zinc/86/32/12/652863212.db2.gz MDOUILLLAROZIY-GHMZBOCLSA-N 1 1 388.258 2.185 20 0 GEADMO CN(C)C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637475218 652863331 /nfs/dbraw/zinc/86/33/31/652863331.db2.gz UPSRDRWFGWUSIT-WBVHZDCISA-N 1 1 391.343 2.208 20 0 GEADMO Cn1cc[nH+]c1[C@@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766086211 652865934 /nfs/dbraw/zinc/86/59/34/652865934.db2.gz BOPPSRFKSVFISL-LLVKDONJSA-N 1 1 389.253 2.226 20 0 GEADMO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673511987 652866388 /nfs/dbraw/zinc/86/63/88/652866388.db2.gz CMDKRMYIWSVDDF-KBPBESRZSA-N 1 1 378.270 2.212 20 0 GEADMO C[N@H+]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000637809608 652873851 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O=C(Cc1cccnc1Br)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870088591 654143836 /nfs/dbraw/zinc/14/38/36/654143836.db2.gz BQMQHANPHSNWGM-HNNXBMFYSA-N 1 1 376.254 2.265 20 0 GEADMO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)cc1Br ZINC000870088115 654143902 /nfs/dbraw/zinc/14/39/02/654143902.db2.gz YRZCROVPJROMSI-OAHLLOKOSA-N 1 1 392.253 2.350 20 0 GEADMO O=C(COc1ccc(Br)cn1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870091459 654143950 /nfs/dbraw/zinc/14/39/50/654143950.db2.gz HTGBAPUGEKOMPG-HNNXBMFYSA-N 1 1 392.253 2.102 20 0 GEADMO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870092870 654144389 /nfs/dbraw/zinc/14/43/89/654144389.db2.gz MRNRTKFVHSUNDO-CQSZACIVSA-N 1 1 392.253 2.350 20 0 GEADMO C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)n1cc(Br)cn1 ZINC000870093284 654144403 /nfs/dbraw/zinc/14/44/03/654144403.db2.gz SQZSJVKSYXKEDV-WBMJQRKESA-N 1 1 393.285 2.475 20 0 GEADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000870121593 654145590 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377.794 2.425 20 0 GEADMO CC(C)(C)n1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)n1 ZINC000889760652 654169556 /nfs/dbraw/zinc/16/95/56/654169556.db2.gz HUUWZBFNZAHPQS-KGLIPLIRSA-N 1 1 399.333 2.072 20 0 GEADMO COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000889770260 654171409 /nfs/dbraw/zinc/17/14/09/654171409.db2.gz QTTQMZVDVUOKSY-HZPDHXFCSA-N 1 1 383.286 2.129 20 0 GEADMO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889775436 654171755 /nfs/dbraw/zinc/17/17/55/654171755.db2.gz VKQWMMIRXHREKR-CHWSQXEVSA-N 1 1 384.933 2.068 20 0 GEADMO O=S(=O)([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cnsn1)C1CC1 ZINC000902304123 654172159 /nfs/dbraw/zinc/17/21/59/654172159.db2.gz HJGNVTAKJFNISW-QGZVFWFLSA-N 1 1 378.523 2.107 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000889783568 654172357 /nfs/dbraw/zinc/17/23/57/654172357.db2.gz YTRGBTYKQRPYPH-JKSUJKDBSA-N 1 1 383.286 2.129 20 0 GEADMO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000851732717 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GEADMO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000870550143 654181276 /nfs/dbraw/zinc/18/12/76/654181276.db2.gz DAVDJVWLLQAKHO-LLVKDONJSA-N 1 1 378.288 2.350 20 0 GEADMO COC(=O)c1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c(C)c1Br ZINC000902541078 654182544 /nfs/dbraw/zinc/18/25/44/654182544.db2.gz FBPIKMRMWFMFOL-CYBMUJFWSA-N 1 1 387.322 2.360 20 0 GEADMO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3)n(C)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902602879 654187040 /nfs/dbraw/zinc/18/70/40/654187040.db2.gz AYFPLSZGIKLDHI-HIFRSBDPSA-N 1 1 380.539 2.037 20 0 GEADMO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3)n(C)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902602879 654187045 /nfs/dbraw/zinc/18/70/45/654187045.db2.gz AYFPLSZGIKLDHI-HIFRSBDPSA-N 1 1 380.539 2.037 20 0 GEADMO C[NH+]1CCN(c2ccnc(NC(=O)Cc3cccnc3Br)c2)CC1 ZINC000870666335 654187422 /nfs/dbraw/zinc/18/74/22/654187422.db2.gz FLDUESXTWSIPBZ-UHFFFAOYSA-N 1 1 390.285 2.172 20 0 GEADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(Br)n[nH]2)CC1 ZINC000831508058 654188437 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GEADMO COC(=O)c1ccc(Br)cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000801547097 654200077 /nfs/dbraw/zinc/20/00/77/654200077.db2.gz GDPDGNHSIROSFY-UHFFFAOYSA-N 1 1 385.302 2.124 20 0 GEADMO CCC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@H]1CC(=O)N(C)C1=O ZINC000801584609 654200799 /nfs/dbraw/zinc/20/07/99/654200799.db2.gz KCYKIBLLRDJQPI-UONOGXRCSA-N 1 1 387.249 2.091 20 0 GEADMO CCC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@H]1CC(=O)N(C)C1=O ZINC000801584609 654200816 /nfs/dbraw/zinc/20/08/16/654200816.db2.gz KCYKIBLLRDJQPI-UONOGXRCSA-N 1 1 387.249 2.091 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)CC[N@H+]1C ZINC000890170602 654201808 /nfs/dbraw/zinc/20/18/08/654201808.db2.gz BHVMLRJLADMSCC-GHMZBOCLSA-N 1 1 386.265 2.468 20 0 GEADMO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000870878699 654202419 /nfs/dbraw/zinc/20/24/19/654202419.db2.gz PVUCADOMRQKIHY-TYNCELHUSA-N 1 1 382.302 2.355 20 0 GEADMO C[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000870887437 654203527 /nfs/dbraw/zinc/20/35/27/654203527.db2.gz ANLBJVUCDTVOCN-CHWSQXEVSA-N 1 1 382.302 2.158 20 0 GEADMO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870901475 654206173 /nfs/dbraw/zinc/20/61/73/654206173.db2.gz XNWTZJBJKGITPZ-KRWDZBQOSA-N 1 1 398.345 2.408 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Cl ZINC000920272979 654207468 /nfs/dbraw/zinc/20/74/68/654207468.db2.gz AGVNIYVNSZEFPW-ZNEHSRBWSA-N 1 1 392.974 2.468 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282573 654209081 /nfs/dbraw/zinc/20/90/81/654209081.db2.gz RRCOLMQSMICTFF-JHNDHUHGSA-N 1 1 390.908 2.237 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282575 654209256 /nfs/dbraw/zinc/20/92/56/654209256.db2.gz RRCOLMQSMICTFF-SRABZTEZSA-N 1 1 390.908 2.237 20 0 GEADMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC=C(Cl)Cl)C2)[C@@H]1C(C)C ZINC000920309680 654209604 /nfs/dbraw/zinc/20/96/04/654209604.db2.gz LPUXEWAZWJHZBJ-UXOAXIEHSA-N 1 1 385.357 2.095 20 0 GEADMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC=C(Cl)Cl)C2)[C@H]1C(C)C ZINC000920309672 654209780 /nfs/dbraw/zinc/20/97/80/654209780.db2.gz LPUXEWAZWJHZBJ-QHSBEEBCSA-N 1 1 385.357 2.095 20 0 GEADMO COc1nc(C)c(Br)cc1C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802139996 654216652 /nfs/dbraw/zinc/21/66/52/654216652.db2.gz KTUBFZICCMHAQO-LBPRGKRZSA-N 1 1 387.274 2.427 20 0 GEADMO COc1nc(C)c(Br)cc1C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802139996 654216657 /nfs/dbraw/zinc/21/66/57/654216657.db2.gz KTUBFZICCMHAQO-LBPRGKRZSA-N 1 1 387.274 2.427 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903127445 654219297 /nfs/dbraw/zinc/21/92/97/654219297.db2.gz YOBPFKKEDDWTJN-LLVKDONJSA-N 1 1 399.456 2.456 20 0 GEADMO C[N@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CCC1(C)C ZINC000871150701 654222039 /nfs/dbraw/zinc/22/20/39/654222039.db2.gz QQHDPEJUDGMTPL-UHFFFAOYSA-N 1 1 382.302 2.122 20 0 GEADMO CN(CC(=O)N1CC[N@@H+](C)C(C)(C)CC1)C(=O)c1ccc(Br)o1 ZINC000871152477 654222076 /nfs/dbraw/zinc/22/20/76/654222076.db2.gz FBTMNUPPLXPOQY-UHFFFAOYSA-N 1 1 386.290 2.057 20 0 GEADMO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240743 654224019 /nfs/dbraw/zinc/22/40/19/654224019.db2.gz FIDCOUKQKLTVNZ-KGLIPLIRSA-N 1 1 376.494 2.316 20 0 GEADMO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240743 654224027 /nfs/dbraw/zinc/22/40/27/654224027.db2.gz FIDCOUKQKLTVNZ-KGLIPLIRSA-N 1 1 376.494 2.316 20 0 GEADMO Cn1cc(I)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903187171 654224970 /nfs/dbraw/zinc/22/49/70/654224970.db2.gz RGDSSIIOUPLDBY-VGPLMAKISA-N 1 1 386.281 2.272 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903189626 654225401 /nfs/dbraw/zinc/22/54/01/654225401.db2.gz DUXUJCRTKDGIJT-SNVBAGLBSA-N 1 1 385.429 2.208 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cnc(Br)n1 ZINC000852217331 654225994 /nfs/dbraw/zinc/22/59/94/654225994.db2.gz ZQLUDDVMUFCMFF-RYUDHWBXSA-N 1 1 388.310 2.418 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cnc(Br)n1 ZINC000852217331 654226001 /nfs/dbraw/zinc/22/60/01/654226001.db2.gz ZQLUDDVMUFCMFF-RYUDHWBXSA-N 1 1 388.310 2.418 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903208261 654226538 /nfs/dbraw/zinc/22/65/38/654226538.db2.gz FIOKTDLKNPBDKW-JTQLQIEISA-N 1 1 393.278 2.066 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000903226860 654228782 /nfs/dbraw/zinc/22/87/82/654228782.db2.gz PTMBCMBUMCYZFY-ZDUSSCGKSA-N 1 1 395.344 2.083 20 0 GEADMO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336050 654233771 /nfs/dbraw/zinc/23/37/71/654233771.db2.gz SYBJNCAKAFQDKS-MRTMQBJTSA-N 1 1 379.100 2.099 20 0 GEADMO C[C@H](c1nnnn1C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336050 654233777 /nfs/dbraw/zinc/23/37/77/654233777.db2.gz SYBJNCAKAFQDKS-MRTMQBJTSA-N 1 1 379.100 2.099 20 0 GEADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434741 654239056 /nfs/dbraw/zinc/23/90/56/654239056.db2.gz GTWXXAXPXIOQKP-OAHLLOKOSA-N 1 1 386.279 2.478 20 0 GEADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434741 654239061 /nfs/dbraw/zinc/23/90/61/654239061.db2.gz GTWXXAXPXIOQKP-OAHLLOKOSA-N 1 1 386.279 2.478 20 0 GEADMO O=C1OCCN1[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438699 654239601 /nfs/dbraw/zinc/23/96/01/654239601.db2.gz VSEKXZDEHSVRAT-LSDHHAIUSA-N 1 1 394.269 2.081 20 0 GEADMO O=C1OCCN1[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438699 654239604 /nfs/dbraw/zinc/23/96/04/654239604.db2.gz VSEKXZDEHSVRAT-LSDHHAIUSA-N 1 1 394.269 2.081 20 0 GEADMO COC(=O)c1ccc(Br)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852490231 654244621 /nfs/dbraw/zinc/24/46/21/654244621.db2.gz OILGEHHMSDZWPW-HNNXBMFYSA-N 1 1 383.286 2.142 20 0 GEADMO Ic1cnnn1C1CC[NH+](CCOC2CCC2)CC1 ZINC000852532097 654245618 /nfs/dbraw/zinc/24/56/18/654245618.db2.gz CTZUDCFLHRHKAE-UHFFFAOYSA-N 1 1 376.242 2.089 20 0 GEADMO CO[C@H](CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(F)cc1 ZINC000921322686 654247749 /nfs/dbraw/zinc/24/77/49/654247749.db2.gz WYVIMVPVBAUZIE-BRWVUGGUSA-N 1 1 388.530 2.012 20 0 GEADMO CO[C@H](CS(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc(F)cc1 ZINC000921322686 654247754 /nfs/dbraw/zinc/24/77/54/654247754.db2.gz WYVIMVPVBAUZIE-BRWVUGGUSA-N 1 1 388.530 2.012 20 0 GEADMO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)ccc(F)c1F ZINC000903544178 654252920 /nfs/dbraw/zinc/25/29/20/654252920.db2.gz JVWRPRKRRLWBDM-SNVBAGLBSA-N 1 1 380.844 2.055 20 0 GEADMO CC(C)N1CC[NH+](CCCN2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000852726738 654256132 /nfs/dbraw/zinc/25/61/32/654256132.db2.gz BGMHWMKFGXJHHC-UHFFFAOYSA-N 1 1 396.373 2.368 20 0 GEADMO CC(C)[C@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731157 654256898 /nfs/dbraw/zinc/25/68/98/654256898.db2.gz IDVNWNHOKKJARZ-HOTGVXAUSA-N 1 1 387.889 2.115 20 0 GEADMO Cn1ncc(Br)c1CO[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871772535 654257041 /nfs/dbraw/zinc/25/70/41/654257041.db2.gz PLUQYPSFLOZIBH-GFCCVEGCSA-N 1 1 398.305 2.220 20 0 GEADMO CS(=O)(=O)CCC(N)=[NH+]OCCOc1ccc(Cl)cc1Br ZINC000871774146 654257512 /nfs/dbraw/zinc/25/75/12/654257512.db2.gz RKKUIMKPHLJEFK-UHFFFAOYSA-N 1 1 399.694 2.414 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000903577845 654260461 /nfs/dbraw/zinc/26/04/61/654260461.db2.gz YNBBPJQEMQYKQJ-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COC(=O)N1CCC[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000852801695 654260853 /nfs/dbraw/zinc/26/08/53/654260853.db2.gz VRJOHDXYXZNWKN-QMMMGPOBSA-N 1 1 388.287 2.074 20 0 GEADMO CC(C)N1C(=S)N=NC1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000852805447 654261132 /nfs/dbraw/zinc/26/11/32/654261132.db2.gz ZKXRMVQZHITABC-LBPRGKRZSA-N 1 1 384.303 2.226 20 0 GEADMO Cn1c(Cl)cnc1-c1csc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000852845493 654263441 /nfs/dbraw/zinc/26/34/41/654263441.db2.gz YIHPRNUTKVYEHC-QMMMGPOBSA-N 1 1 377.861 2.249 20 0 GEADMO CC[N@@H+]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)[C@@H](C)C1 ZINC000921407009 654263873 /nfs/dbraw/zinc/26/38/73/654263873.db2.gz SHERIANVDRQBFX-AAEUAGOBSA-N 1 1 382.306 2.258 20 0 GEADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1c(C)nn(C)c1Br ZINC000852877414 654264728 /nfs/dbraw/zinc/26/47/28/654264728.db2.gz HGVCLAPTWLHTIO-CYBMUJFWSA-N 1 1 393.285 2.286 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146916 654267422 /nfs/dbraw/zinc/26/74/22/654267422.db2.gz YWNKGVIIUGPFIK-MAUKXSAKSA-N 1 1 393.281 2.085 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146918 654267457 /nfs/dbraw/zinc/26/74/57/654267457.db2.gz YWNKGVIIUGPFIK-YJBOKZPZSA-N 1 1 393.281 2.085 20 0 GEADMO C[C@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000871895628 654274103 /nfs/dbraw/zinc/27/41/03/654274103.db2.gz VQHOQASSOTZIMU-BXUZGUMPSA-N 1 1 376.507 2.114 20 0 GEADMO CN1C(=O)N(C[C@H]2C[N@H+](C)CCN2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086164 654278808 /nfs/dbraw/zinc/27/88/08/654278808.db2.gz FXLUFKRHDFXCHC-IAQYHMDHSA-N 1 1 385.295 2.174 20 0 GEADMO CN1C(=O)N(C[C@H]2C[N@@H+](C)CCN2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086164 654278813 /nfs/dbraw/zinc/27/88/13/654278813.db2.gz FXLUFKRHDFXCHC-IAQYHMDHSA-N 1 1 385.295 2.174 20 0 GEADMO C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000832679818 654287140 /nfs/dbraw/zinc/28/71/40/654287140.db2.gz KPBZIPRUXVTAGN-LBPRGKRZSA-N 1 1 383.208 2.483 20 0 GEADMO C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000832679818 654287145 /nfs/dbraw/zinc/28/71/45/654287145.db2.gz KPBZIPRUXVTAGN-LBPRGKRZSA-N 1 1 383.208 2.483 20 0 GEADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)c1ccccc1Br ZINC000832680796 654287155 /nfs/dbraw/zinc/28/71/55/654287155.db2.gz WKSKLXFSKODFFD-IUODEOHRSA-N 1 1 376.316 2.239 20 0 GEADMO CC(C)[C@H](C(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F)[NH+](C)C ZINC000803700794 654287465 /nfs/dbraw/zinc/28/74/65/654287465.db2.gz RVVMZVGDEGQULF-CHWSQXEVSA-N 1 1 375.238 2.244 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1ccco1 ZINC000853232639 654287795 /nfs/dbraw/zinc/28/77/95/654287795.db2.gz GFKULXKKUBJNCT-LBPRGKRZSA-N 1 1 382.262 2.067 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853446771 654295594 /nfs/dbraw/zinc/29/55/94/654295594.db2.gz NQOZKZWLIQYAFQ-CVEARBPZSA-N 1 1 394.313 2.289 20 0 GEADMO C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(F)F ZINC000891478249 654295696 /nfs/dbraw/zinc/29/56/96/654295696.db2.gz JTCSQEMIVPVFNT-QMMMGPOBSA-N 1 1 378.217 2.219 20 0 GEADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C(F)F ZINC000891478248 654296005 /nfs/dbraw/zinc/29/60/05/654296005.db2.gz JTCSQEMIVPVFNT-MRVPVSSYSA-N 1 1 378.217 2.219 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832782640 654296523 /nfs/dbraw/zinc/29/65/23/654296523.db2.gz JAXGBWGWJOLAKT-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832782640 654296530 /nfs/dbraw/zinc/29/65/30/654296530.db2.gz JAXGBWGWJOLAKT-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO Cc1nc(CNCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)sc1Br ZINC000921654262 654299410 /nfs/dbraw/zinc/29/94/10/654299410.db2.gz WXFVLGQOYVLJOZ-GFCCVEGCSA-N 1 1 389.363 2.246 20 0 GEADMO Cn1nc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1Br ZINC000833057239 654302828 /nfs/dbraw/zinc/30/28/28/654302828.db2.gz YSOOYVHARUCHJP-CYBMUJFWSA-N 1 1 379.258 2.002 20 0 GEADMO O=c1ccn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2c(Br)cccc12 ZINC000853557764 654304067 /nfs/dbraw/zinc/30/40/67/654304067.db2.gz MTBKLCGVKNXPBQ-IUODEOHRSA-N 1 1 390.281 2.322 20 0 GEADMO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853581762 654305809 /nfs/dbraw/zinc/30/58/09/654305809.db2.gz YTMASPNJXBLJDQ-QWRGUYRKSA-N 1 1 378.226 2.044 20 0 GEADMO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853581762 654305815 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C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853694906 654315571 /nfs/dbraw/zinc/31/55/71/654315571.db2.gz ZWZGPXZDNMYKAX-DTWKUNHWSA-N 1 1 388.697 2.265 20 0 GEADMO [NH3+][C@@H](Cc1nc(CC(=O)Nc2ccccc2Br)no1)C(F)F ZINC000904688383 654316535 /nfs/dbraw/zinc/31/65/35/654316535.db2.gz ADMKWYIMWBQMDM-QMMMGPOBSA-N 1 1 375.173 2.148 20 0 GEADMO Cc1cccc(CN[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000921747094 654317760 /nfs/dbraw/zinc/31/77/60/654317760.db2.gz LXIVWGQIUAIPBZ-QGZVFWFLSA-N 1 1 382.346 2.254 20 0 GEADMO Cc1cccc(CN[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1Br ZINC000921747094 654317764 /nfs/dbraw/zinc/31/77/64/654317764.db2.gz LXIVWGQIUAIPBZ-QGZVFWFLSA-N 1 1 382.346 2.254 20 0 GEADMO O[C@H](C[NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Br)cc1 ZINC000872221779 654317864 /nfs/dbraw/zinc/31/78/64/654317864.db2.gz JVAVSYDWCDTFLP-CQSZACIVSA-N 1 1 381.274 2.284 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000853838104 654324717 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O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1C(F)(F)F ZINC000921906940 654340438 /nfs/dbraw/zinc/34/04/38/654340438.db2.gz CDWOTSCMXYPCLD-ZDUSSCGKSA-N 1 1 378.416 2.237 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1C(F)(F)F ZINC000921906940 654340440 /nfs/dbraw/zinc/34/04/40/654340440.db2.gz CDWOTSCMXYPCLD-ZDUSSCGKSA-N 1 1 378.416 2.237 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000892325181 654340525 /nfs/dbraw/zinc/34/05/25/654340525.db2.gz HMZXEPVZORMUPT-OAHLLOKOSA-N 1 1 397.361 2.269 20 0 GEADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(C(F)F)c1 ZINC000872454741 654340640 /nfs/dbraw/zinc/34/06/40/654340640.db2.gz YSUZWIIHEIMBNU-GFCCVEGCSA-N 1 1 380.432 2.279 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3nc(Br)c[nH]3)c2)CC1 ZINC000921911001 654340901 /nfs/dbraw/zinc/34/09/01/654340901.db2.gz OBEOPKQENMLOPO-UHFFFAOYSA-N 1 1 392.301 2.101 20 0 GEADMO Cc1nn(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1Cl ZINC000921922986 654343021 /nfs/dbraw/zinc/34/30/21/654343021.db2.gz FWJPTNMCWGGADC-UHFFFAOYSA-N 1 1 383.326 2.165 20 0 GEADMO C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000872471855 654348110 /nfs/dbraw/zinc/34/81/10/654348110.db2.gz PGJUDGFONSEDPT-QUVIJQCPSA-N 1 1 379.592 2.370 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000834817735 654350446 /nfs/dbraw/zinc/35/04/46/654350446.db2.gz ZBDWXNTXKJVPSV-MRXNPFEDSA-N 1 1 383.880 2.047 20 0 GEADMO COc1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cnc1Cl ZINC000805122164 654351686 /nfs/dbraw/zinc/35/16/86/654351686.db2.gz ZTDURRIMYBNALS-AWEZNQCLSA-N 1 1 387.864 2.464 20 0 GEADMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1(C)C ZINC000872485376 654352955 /nfs/dbraw/zinc/35/29/55/654352955.db2.gz ZTMVCFXKXBYFKR-UHFFFAOYSA-N 1 1 379.448 2.068 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc2c(cccc2Br)[nH]1 ZINC000854353584 654354899 /nfs/dbraw/zinc/35/48/99/654354899.db2.gz APMOPSGQSUGDLR-LBPRGKRZSA-N 1 1 377.286 2.050 20 0 GEADMO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000892687410 654358812 /nfs/dbraw/zinc/35/88/12/654358812.db2.gz OHTUBFUYMALKKW-BXUZGUMPSA-N 1 1 398.301 2.312 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000835044867 654359568 /nfs/dbraw/zinc/35/95/68/654359568.db2.gz AAHQDSRDBZVZEY-OLZOCXBDSA-N 1 1 397.317 2.470 20 0 GEADMO Cc1nc(Br)sc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000854490170 654364404 /nfs/dbraw/zinc/36/44/04/654364404.db2.gz RTBYGAPXMSUQFT-UHFFFAOYSA-N 1 1 377.352 2.170 20 0 GEADMO Cc1nc(Br)sc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000854490170 654364409 /nfs/dbraw/zinc/36/44/09/654364409.db2.gz RTBYGAPXMSUQFT-UHFFFAOYSA-N 1 1 377.352 2.170 20 0 GEADMO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC000922082357 654365164 /nfs/dbraw/zinc/36/51/64/654365164.db2.gz XBGSCXSZKIDRGE-ROUUACIJSA-N 1 1 383.945 2.102 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CC3(Br)Br)C[C@@H]2C1 ZINC000854525498 654365500 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2.336 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1nnn(-c2ccccc2Br)c1C ZINC000922166340 654373298 /nfs/dbraw/zinc/37/32/98/654373298.db2.gz OAVFTGPSBLTUKT-GFCCVEGCSA-N 1 1 378.274 2.162 20 0 GEADMO COC(=O)C[C@@H]1C[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@H]1C ZINC000905712900 654376625 /nfs/dbraw/zinc/37/66/25/654376625.db2.gz XNDSLFKEVSGMHB-GHMZBOCLSA-N 1 1 383.242 2.446 20 0 GEADMO COC(=O)C[C@@H]1C[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@H]1C ZINC000905712900 654376629 /nfs/dbraw/zinc/37/66/29/654376629.db2.gz XNDSLFKEVSGMHB-GHMZBOCLSA-N 1 1 383.242 2.446 20 0 GEADMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nccn3c(Br)cnc13)C2 ZINC000854739379 654380043 /nfs/dbraw/zinc/38/00/43/654380043.db2.gz UBHBNZUFSYFEJR-MRXNPFEDSA-N 1 1 378.274 2.050 20 0 GEADMO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872616724 654382010 /nfs/dbraw/zinc/38/20/10/654382010.db2.gz HGIZTRNKDVVMNL-WDEREUQCSA-N 1 1 398.834 2.188 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835347547 654382387 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COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000178392043 532200696 /nfs/dbraw/zinc/20/06/96/532200696.db2.gz DAORATKNEQHTMY-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000130190254 532190255 /nfs/dbraw/zinc/19/02/55/532190255.db2.gz BAVHVGHMYGKJKA-INIZCTEOSA-N 1 1 384.307 2.301 20 0 GEADMO [NH3+]Cc1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000178713874 532210873 /nfs/dbraw/zinc/21/08/73/532210873.db2.gz PZESVNPOBKKRCP-SNVBAGLBSA-N 1 1 379.873 2.141 20 0 GEADMO COC[C@](C)(CCO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000132488316 532217112 /nfs/dbraw/zinc/21/71/12/532217112.db2.gz XZSJQHJTMJPPPO-KRWDZBQOSA-N 1 1 384.523 2.091 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000179411830 532230609 /nfs/dbraw/zinc/23/06/09/532230609.db2.gz OPLIOZWCLCSAIO-LSDHHAIUSA-N 1 1 399.329 2.440 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1nccs1 ZINC000179414742 532230855 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GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179771231 532243752 /nfs/dbraw/zinc/24/37/52/532243752.db2.gz VJRBLAWEAPEDKN-UHFFFAOYSA-N 1 1 394.273 2.193 20 0 GEADMO COc1ccc(Br)c(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000133882855 532244609 /nfs/dbraw/zinc/24/46/09/532244609.db2.gz WSWSERBEHBRCJJ-HNNXBMFYSA-N 1 1 399.329 2.353 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000133902343 532245574 /nfs/dbraw/zinc/24/55/74/532245574.db2.gz XRXTUKNYJJRFMQ-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)N1CCOCC1 ZINC000179894001 532248864 /nfs/dbraw/zinc/24/88/64/532248864.db2.gz YGNNBRLHMHWDKS-CYBMUJFWSA-N 1 1 383.286 2.226 20 0 GEADMO COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000134079519 532248925 /nfs/dbraw/zinc/24/89/25/532248925.db2.gz HQHDTNFKGDOCJT-CQSZACIVSA-N 1 1 382.507 2.424 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000134139893 532251302 /nfs/dbraw/zinc/25/13/02/532251302.db2.gz PAQVSEAPHSFTIO-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(OC)c1 ZINC000134182244 532251844 /nfs/dbraw/zinc/25/18/44/532251844.db2.gz XOGDEZMNOZHLPL-NSHDSACASA-N 1 1 378.288 2.133 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc(F)c(F)cc1Br ZINC000133481399 532236895 /nfs/dbraw/zinc/23/68/95/532236895.db2.gz VCEMKEZOIGUJCC-UHFFFAOYSA-N 1 1 390.272 2.437 20 0 GEADMO COCCNc1nc(NCc2nccs2)[nH+]c(NCc2nccs2)n1 ZINC000180406402 532270143 /nfs/dbraw/zinc/27/01/43/532270143.db2.gz TWAUJINOEDXFAR-UHFFFAOYSA-N 1 1 378.487 2.067 20 0 GEADMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Oc3ccc(Cl)cn3)C2)C1 ZINC000135333978 532270862 /nfs/dbraw/zinc/27/08/62/532270862.db2.gz NSMSOTCGXWXPIG-ZBFHGGJFSA-N 1 1 387.933 2.250 20 0 GEADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180455340 532271588 /nfs/dbraw/zinc/27/15/88/532271588.db2.gz LWLDAAQOLOLSNM-RKDXNWHRSA-N 1 1 384.370 2.487 20 0 GEADMO COc1ccc(Br)cc1[C@@H]1CCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000180462280 532271636 /nfs/dbraw/zinc/27/16/36/532271636.db2.gz AESKBCZCFXGSRV-INIZCTEOSA-N 1 1 396.329 2.369 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045788 532254666 /nfs/dbraw/zinc/25/46/66/532254666.db2.gz DTFGZZUHCSPPGS-SNVBAGLBSA-N 1 1 390.228 2.266 20 0 GEADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134466610 532256470 /nfs/dbraw/zinc/25/64/70/532256470.db2.gz MQQNWXUZHFUWAB-JTQLQIEISA-N 1 1 379.404 2.021 20 0 GEADMO CC[C@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCC[NH2+]1 ZINC000134470353 532256877 /nfs/dbraw/zinc/25/68/77/532256877.db2.gz OJECKQRLOSODFD-MRXNPFEDSA-N 1 1 378.274 2.383 20 0 GEADMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000134527381 532257006 /nfs/dbraw/zinc/25/70/06/532257006.db2.gz WIODNVFYAUXUIZ-UHFFFAOYSA-N 1 1 383.286 2.340 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180097597 532258365 /nfs/dbraw/zinc/25/83/65/532258365.db2.gz BDDUPLZETYCZCO-SNVBAGLBSA-N 1 1 382.349 2.176 20 0 GEADMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000134548282 532258685 /nfs/dbraw/zinc/25/86/85/532258685.db2.gz SACYNTSYLUPIRW-CYBMUJFWSA-N 1 1 380.905 2.472 20 0 GEADMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000134548282 532258691 /nfs/dbraw/zinc/25/86/91/532258691.db2.gz SACYNTSYLUPIRW-CYBMUJFWSA-N 1 1 380.905 2.472 20 0 GEADMO C[N@H+](Cc1ccc(Br)c2cccnc12)C[C@H](O)CN1CCOCC1 ZINC000180184662 532260879 /nfs/dbraw/zinc/26/08/79/532260879.db2.gz YSTWMEIDXGZPOM-HNNXBMFYSA-N 1 1 394.313 2.122 20 0 GEADMO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1nc2ccccc2n1C ZINC000180202047 532261036 /nfs/dbraw/zinc/26/10/36/532261036.db2.gz SSHNZBQWADQMHV-OLZOCXBDSA-N 1 1 379.507 2.120 20 0 GEADMO C[C@H](NC(=O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000134857778 532263849 /nfs/dbraw/zinc/26/38/49/532263849.db2.gz UUNNGBJHIQNRFK-ZDUSSCGKSA-N 1 1 383.945 2.489 20 0 GEADMO CN(C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000180296979 532266110 /nfs/dbraw/zinc/26/61/10/532266110.db2.gz FHGGGKUSZAGBGW-GOSISDBHSA-N 1 1 384.362 2.316 20 0 GEADMO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000180535829 532274838 /nfs/dbraw/zinc/27/48/38/532274838.db2.gz VITZSXOERMCQCS-LLVKDONJSA-N 1 1 386.495 2.271 20 0 GEADMO COc1cccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1OC(F)F ZINC000180627927 532276879 /nfs/dbraw/zinc/27/68/79/532276879.db2.gz UAYXSXXYOCBYLN-UHFFFAOYSA-N 1 1 378.441 2.152 20 0 GEADMO Nc1n[nH]c(SCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000135845211 532281068 /nfs/dbraw/zinc/28/10/68/532281068.db2.gz GKCPCRTTWZSZSR-ZDUSSCGKSA-N 1 1 380.905 2.086 20 0 GEADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Br)cc1-n1cncn1)C2 ZINC000137092487 532287982 /nfs/dbraw/zinc/28/79/82/532287982.db2.gz XJSSKVRCMDJUFC-UONOGXRCSA-N 1 1 390.285 2.339 20 0 GEADMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000137115174 532288535 /nfs/dbraw/zinc/28/85/35/532288535.db2.gz PIQPYSAUYJQMRL-ZDUSSCGKSA-N 1 1 384.325 2.488 20 0 GEADMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000137115174 532288538 /nfs/dbraw/zinc/28/85/38/532288538.db2.gz PIQPYSAUYJQMRL-ZDUSSCGKSA-N 1 1 384.325 2.488 20 0 GEADMO C[N@@H+](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCSC1 ZINC000137728685 532291318 /nfs/dbraw/zinc/29/13/18/532291318.db2.gz BPDXMQOWJCGOII-ZDUSSCGKSA-N 1 1 383.315 2.150 20 0 GEADMO C[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151242660 532308473 /nfs/dbraw/zinc/30/84/73/532308473.db2.gz NPXOKTUKPYPWSY-BBRMVZONSA-N 1 1 396.329 2.499 20 0 GEADMO C[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151242660 532308474 /nfs/dbraw/zinc/30/84/74/532308474.db2.gz NPXOKTUKPYPWSY-BBRMVZONSA-N 1 1 396.329 2.499 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181411003 532298079 /nfs/dbraw/zinc/29/80/79/532298079.db2.gz SBFJPZFRFGAVID-BLLLJJGKSA-N 1 1 393.285 2.123 20 0 GEADMO COCc1nc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000147291800 532299030 /nfs/dbraw/zinc/29/90/30/532299030.db2.gz VXPXUHMUOAUMEF-CQSZACIVSA-N 1 1 380.539 2.070 20 0 GEADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181452335 532299346 /nfs/dbraw/zinc/29/93/46/532299346.db2.gz UWIFTMAMSBXIAO-ZDUSSCGKSA-N 1 1 397.317 2.411 20 0 GEADMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)C(=O)N1CCC(C(N)=O)CC1 ZINC000181573815 532302032 /nfs/dbraw/zinc/30/20/32/532302032.db2.gz YRYCVZUHNQNBKX-VXGBXAGGSA-N 1 1 382.302 2.212 20 0 GEADMO C[C@@H](C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000183386287 532324805 /nfs/dbraw/zinc/32/48/05/532324805.db2.gz ICYURCRURHCJHF-LBPRGKRZSA-N 1 1 389.327 2.298 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[N@@H+](C)C1CC1 ZINC000183523658 532325583 /nfs/dbraw/zinc/32/55/83/532325583.db2.gz HHJIHWPYMGUYQF-SECBINFHSA-N 1 1 375.803 2.479 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000182266537 532311147 /nfs/dbraw/zinc/31/11/47/532311147.db2.gz XXQHRPYYADLYNW-AWEZNQCLSA-N 1 1 397.313 2.396 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182753463 532317094 /nfs/dbraw/zinc/31/70/94/532317094.db2.gz FVNXKBXSFMYNNS-CQSZACIVSA-N 1 1 397.317 2.472 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182959555 532320171 /nfs/dbraw/zinc/32/01/71/532320171.db2.gz QVYHFGVJSLQGFK-HNNXBMFYSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182959555 532320172 /nfs/dbraw/zinc/32/01/72/532320172.db2.gz QVYHFGVJSLQGFK-HNNXBMFYSA-N 1 1 390.355 2.302 20 0 GEADMO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)s1 ZINC000183139030 532321644 /nfs/dbraw/zinc/32/16/44/532321644.db2.gz CVWXHRVKZIEBJJ-DLUDVSRJSA-N 1 1 380.539 2.385 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185236498 532337294 /nfs/dbraw/zinc/33/72/94/532337294.db2.gz UMWDWKJXQNNYSE-UHFFFAOYSA-N 1 1 377.304 2.172 20 0 GEADMO Cc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1Br ZINC000185488629 532337889 /nfs/dbraw/zinc/33/78/89/532337889.db2.gz IYSCPQIDZIOEON-UHFFFAOYSA-N 1 1 383.290 2.043 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1Br ZINC000185634682 532338171 /nfs/dbraw/zinc/33/81/71/532338171.db2.gz RWCVDMCRQNDJJD-AWEZNQCLSA-N 1 1 383.334 2.274 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000185930940 532339243 /nfs/dbraw/zinc/33/92/43/532339243.db2.gz DKPAXLNTAQYCIX-ZFWWWQNUSA-N 1 1 398.345 2.295 20 0 GEADMO C[C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)N1CC[NH+](C)CC1 ZINC000186215384 532340261 /nfs/dbraw/zinc/34/02/61/532340261.db2.gz LQBCNNGIJMAQKF-LBPRGKRZSA-N 1 1 384.293 2.109 20 0 GEADMO C[N@H+]1CCCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000186290079 532340447 /nfs/dbraw/zinc/34/04/47/532340447.db2.gz ZWNMBMIXFSJWTA-UHFFFAOYSA-N 1 1 377.080 2.384 20 0 GEADMO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186297969 532340493 /nfs/dbraw/zinc/34/04/93/532340493.db2.gz FCUDWIQKKAUZOK-IRXDYDNUSA-N 1 1 399.329 2.234 20 0 GEADMO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186297969 532340494 /nfs/dbraw/zinc/34/04/94/532340494.db2.gz FCUDWIQKKAUZOK-IRXDYDNUSA-N 1 1 399.329 2.234 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186459635 532340925 /nfs/dbraw/zinc/34/09/25/532340925.db2.gz ZCGPEZCYMKWLAR-AAEUAGOBSA-N 1 1 378.416 2.224 20 0 GEADMO CCC[C@H](CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000186527583 532341137 /nfs/dbraw/zinc/34/11/37/532341137.db2.gz CMPUBZOZPBQYBM-SNPRPXQTSA-N 1 1 389.323 2.421 20 0 GEADMO CCC[C@H](CNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000186527583 532341138 /nfs/dbraw/zinc/34/11/38/532341138.db2.gz CMPUBZOZPBQYBM-SNPRPXQTSA-N 1 1 389.323 2.421 20 0 GEADMO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186687190 532341602 /nfs/dbraw/zinc/34/16/02/532341602.db2.gz FYUSNWBFRVCXSZ-NSHDSACASA-N 1 1 386.279 2.038 20 0 GEADMO Cc1nc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000186779753 532341875 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C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000189378535 532351980 /nfs/dbraw/zinc/35/19/80/532351980.db2.gz QCHZOTKLLCCECE-CQSZACIVSA-N 1 1 397.313 2.497 20 0 GEADMO O=C(CCCOc1ccccc1Br)NCC[N@H+]1CCCOCC1 ZINC000189359215 532351985 /nfs/dbraw/zinc/35/19/85/532351985.db2.gz YXTSYEUYVLNENK-UHFFFAOYSA-N 1 1 385.302 2.447 20 0 GEADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000189406878 532352186 /nfs/dbraw/zinc/35/21/86/532352186.db2.gz VLGYMYMXDDMJIO-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000189470640 532352351 /nfs/dbraw/zinc/35/23/51/532352351.db2.gz RFBDKBZOZYPHMY-UHFFFAOYSA-N 1 1 393.285 2.291 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000189470640 532352352 /nfs/dbraw/zinc/35/23/52/532352352.db2.gz RFBDKBZOZYPHMY-UHFFFAOYSA-N 1 1 393.285 2.291 20 0 GEADMO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000189544483 532352624 /nfs/dbraw/zinc/35/26/24/532352624.db2.gz 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C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190073931 532354665 /nfs/dbraw/zinc/35/46/65/532354665.db2.gz XGKOHTILMNXIEJ-ZYHUDNBSSA-N 1 1 384.249 2.222 20 0 GEADMO C[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)CN1CC[NH+](C)CC1 ZINC000190381486 532355908 /nfs/dbraw/zinc/35/59/08/532355908.db2.gz RSGFANZRBCJBDX-HNNXBMFYSA-N 1 1 394.357 2.480 20 0 GEADMO Cc1ccc(Br)nc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000190691238 532357500 /nfs/dbraw/zinc/35/75/00/532357500.db2.gz BHOPDGOEIBMIQX-UHFFFAOYSA-N 1 1 395.345 2.441 20 0 GEADMO O=C(CSc1nncs1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190968364 532358961 /nfs/dbraw/zinc/35/89/61/532358961.db2.gz XRTVUANQBFHRLH-HNNXBMFYSA-N 1 1 378.523 2.038 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191431384 532360898 /nfs/dbraw/zinc/36/08/98/532360898.db2.gz DDZXOFPVWVQDAB-CYBMUJFWSA-N 1 1 382.302 2.478 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187366899 532344222 /nfs/dbraw/zinc/34/42/22/532344222.db2.gz 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/nfs/dbraw/zinc/38/40/84/532384084.db2.gz PCOCZSGFQSURLW-UHFFFAOYSA-N 1 1 388.555 2.023 20 0 GEADMO C[C@H](CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+]1CCOCC1 ZINC000278532952 532384301 /nfs/dbraw/zinc/38/43/01/532384301.db2.gz BVICSUDAZIJVLS-MNOVXSKESA-N 1 1 380.436 2.490 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000647900838 532384473 /nfs/dbraw/zinc/38/44/73/532384473.db2.gz VOACPXRSEBPDEL-ZDUSSCGKSA-N 1 1 377.457 2.078 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000425413179 532384505 /nfs/dbraw/zinc/38/45/05/532384505.db2.gz BBFREPNEUSAWFO-YOEHRIQHSA-N 1 1 383.583 2.447 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344268 532385346 /nfs/dbraw/zinc/38/53/46/532385346.db2.gz BNFYZSLQMYDBAN-CQSZACIVSA-N 1 1 396.329 2.113 20 0 GEADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344268 532385350 /nfs/dbraw/zinc/38/53/50/532385350.db2.gz BNFYZSLQMYDBAN-CQSZACIVSA-N 1 1 396.329 2.113 20 0 GEADMO 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C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nnnn1C1CC1 ZINC000678592658 532397307 /nfs/dbraw/zinc/39/73/07/532397307.db2.gz HBAXKFJBGKMHTA-JTQLQIEISA-N 1 1 379.262 2.277 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000624611403 532399724 /nfs/dbraw/zinc/39/97/24/532399724.db2.gz QSJZIRKRBFDFRN-DOMZBBRYSA-N 1 1 397.317 2.007 20 0 GEADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000678747973 532400902 /nfs/dbraw/zinc/40/09/02/532400902.db2.gz GNMSGFIEHUPILT-UHFFFAOYSA-N 1 1 377.794 2.205 20 0 GEADMO C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1CCO ZINC000192280223 532399373 /nfs/dbraw/zinc/39/93/73/532399373.db2.gz WWGXCEFWTWERFW-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CC[N@H+]1CCO ZINC000192280223 532399378 /nfs/dbraw/zinc/39/93/78/532399378.db2.gz WWGXCEFWTWERFW-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000648834459 532403037 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COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000648872788 532406947 /nfs/dbraw/zinc/40/69/47/532406947.db2.gz SKUDYDHDAYZLJT-UHFFFAOYSA-N 1 1 375.238 2.049 20 0 GEADMO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000648872788 532406952 /nfs/dbraw/zinc/40/69/52/532406952.db2.gz SKUDYDHDAYZLJT-UHFFFAOYSA-N 1 1 375.238 2.049 20 0 GEADMO Cn1c2ccc(C[NH2+][C@H](CS(C)(=O)=O)c3ccccc3)cc2sc1=O ZINC000192732837 532407210 /nfs/dbraw/zinc/40/72/10/532407210.db2.gz GCXUSOQIFGRWGF-OAHLLOKOSA-N 1 1 376.503 2.476 20 0 GEADMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000517210055 532408267 /nfs/dbraw/zinc/40/82/67/532408267.db2.gz FHHPFQVVIYHZES-JSGCOSHPSA-N 1 1 380.286 2.475 20 0 GEADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426469733 532407737 /nfs/dbraw/zinc/40/77/37/532407737.db2.gz NQMAELGWKVXHAJ-UHFFFAOYSA-N 1 1 376.831 2.269 20 0 GEADMO C[C@@H]1[C@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[N@H+]1C ZINC000648885790 532406084 /nfs/dbraw/zinc/40/60/84/532406084.db2.gz 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O=C(C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)NC[C@@H]1CCCO1 ZINC000298626194 532664451 /nfs/dbraw/zinc/66/44/51/532664451.db2.gz VIKOSNVVZOWGGE-FZMZJTMJSA-N 1 1 380.794 2.277 20 0 GEADMO Cc1nocc1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000633340985 532665157 /nfs/dbraw/zinc/66/51/57/532665157.db2.gz BWQANVJDHCHIEE-UHFFFAOYSA-N 1 1 380.246 2.145 20 0 GEADMO CN(C(=O)c1ccc(Br)cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377638130 532665511 /nfs/dbraw/zinc/66/55/11/532665511.db2.gz ATWFDGITOJXOKS-HNNXBMFYSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccc(Br)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377638130 532665517 /nfs/dbraw/zinc/66/55/17/532665517.db2.gz ATWFDGITOJXOKS-HNNXBMFYSA-N 1 1 381.318 2.085 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000298644536 532665650 /nfs/dbraw/zinc/66/56/50/532665650.db2.gz AIZZGHKODLTFQT-UHFFFAOYSA-N 1 1 383.290 2.089 20 0 GEADMO CCS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000481060053 532665778 /nfs/dbraw/zinc/66/57/78/532665778.db2.gz 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ZINC000736290493 598940980 /nfs/dbraw/zinc/94/09/80/598940980.db2.gz ARNSODMQEMDTGP-GUYCJALGSA-N 1 1 399.886 2.159 20 0 GEADMO C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736290493 598940981 /nfs/dbraw/zinc/94/09/81/598940981.db2.gz ARNSODMQEMDTGP-GUYCJALGSA-N 1 1 399.886 2.159 20 0 GEADMO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737425872 598947530 /nfs/dbraw/zinc/94/75/30/598947530.db2.gz FSRBVFAEVYKQPL-HXUWFJFHSA-N 1 1 390.491 2.498 20 0 GEADMO COCC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1 ZINC000736995530 598980215 /nfs/dbraw/zinc/98/02/15/598980215.db2.gz SNEFZVNZENNMIH-UHFFFAOYSA-N 1 1 383.452 2.403 20 0 GEADMO COc1cc(C[N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc(OC)c1 ZINC000737044638 598985191 /nfs/dbraw/zinc/98/51/91/598985191.db2.gz AYQDFUSLHVEXFG-UHFFFAOYSA-N 1 1 399.451 2.403 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000737031315 598985789 /nfs/dbraw/zinc/98/57/89/598985789.db2.gz 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GEADMO CC(C)N(C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000735507134 599025002 /nfs/dbraw/zinc/02/50/02/599025002.db2.gz ZJZBOHHHFGWOFZ-QGZVFWFLSA-N 1 1 399.543 2.018 20 0 GEADMO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000738260061 599029036 /nfs/dbraw/zinc/02/90/36/599029036.db2.gz YEFWDUXTQWDRCF-UHFFFAOYSA-N 1 1 391.479 2.042 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000735732926 599035189 /nfs/dbraw/zinc/03/51/89/599035189.db2.gz CQCQZMNRXGRZQJ-YJBOKZPZSA-N 1 1 386.500 2.070 20 0 GEADMO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737054780 599081173 /nfs/dbraw/zinc/08/11/73/599081173.db2.gz WGKXFIKRZZDWNJ-UHFFFAOYSA-N 1 1 386.406 2.476 20 0 GEADMO NC(=O)[C@H]([NH2+]CCOc1cccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734824 599094100 /nfs/dbraw/zinc/09/41/00/599094100.db2.gz BVDITYGQIJJEDR-LJQANCHMSA-N 1 1 388.431 2.215 20 0 GEADMO Cc1[nH]c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)cc2c1C ZINC000737199553 599096015 /nfs/dbraw/zinc/09/60/15/599096015.db2.gz NRGPCKYFRDAWQV-SFHVURJKSA-N 1 1 375.436 2.281 20 0 GEADMO CCc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736682150 599097816 /nfs/dbraw/zinc/09/78/16/599097816.db2.gz GYTXMDDGLKJDDR-UHFFFAOYSA-N 1 1 390.491 2.316 20 0 GEADMO COc1ccc([C@H]([NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000737075819 599099605 /nfs/dbraw/zinc/09/96/05/599099605.db2.gz OWKDVSYRCWECPO-QZTJIDSGSA-N 1 1 378.436 2.143 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000736616627 599103885 /nfs/dbraw/zinc/10/38/85/599103885.db2.gz UEDQBMSCNUODGF-YOEHRIQHSA-N 1 1 387.488 2.125 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000736616624 599103934 /nfs/dbraw/zinc/10/39/34/599103934.db2.gz UEDQBMSCNUODGF-WMLDXEAASA-N 1 1 387.488 2.125 20 0 GEADMO CCCCOC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736461843 599129709 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SPSOUYDNRYKCNV-CQSZACIVSA-N 1 1 388.472 2.187 20 0 GEADMO O=C(CC[N@H+]1CCCC2(CCOCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843241 599143692 /nfs/dbraw/zinc/14/36/92/599143692.db2.gz JTLXLCXOOJOHAZ-UHFFFAOYSA-N 1 1 376.486 2.149 20 0 GEADMO CC[N@@H+](CCO)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000736537113 599208649 /nfs/dbraw/zinc/20/86/49/599208649.db2.gz RBVBAHIEIIKMEL-UHFFFAOYSA-N 1 1 383.452 2.269 20 0 GEADMO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738087782 599216399 /nfs/dbraw/zinc/21/63/99/599216399.db2.gz BDXYFYMBLZPUEX-LJQANCHMSA-N 1 1 392.463 2.026 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000738388436 599217398 /nfs/dbraw/zinc/21/73/98/599217398.db2.gz STVIZYDXKWFPFI-IBGZPJMESA-N 1 1 397.454 2.453 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000735735717 599226207 /nfs/dbraw/zinc/22/62/07/599226207.db2.gz UPBPLQVKESNQCY-MDZRGWNJSA-N 1 1 398.511 2.355 20 0 GEADMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000822248971 607274651 /nfs/dbraw/zinc/27/46/51/607274651.db2.gz WMMYVVGMIUODSQ-UHFFFAOYSA-N 1 1 392.467 2.310 20 0 GEADMO Cc1cccc2c(NCCCN3CCCCCC3=O)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737408241 599257074 /nfs/dbraw/zinc/25/70/74/599257074.db2.gz IIICPRUOYJITDW-UHFFFAOYSA-N 1 1 379.468 2.350 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCNC(=O)c3ccccc3)c2c1 ZINC000737248655 599264484 /nfs/dbraw/zinc/26/44/84/599264484.db2.gz IXSXDUABPXXKDI-UHFFFAOYSA-N 1 1 387.447 2.296 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000819865761 607312259 /nfs/dbraw/zinc/31/22/59/607312259.db2.gz HGWHWOSLSHWQSP-AWEZNQCLSA-N 1 1 379.468 2.392 20 0 GEADMO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000737410237 599265580 /nfs/dbraw/zinc/26/55/80/599265580.db2.gz QOACXQZKEBPOQO-GASCZTMLSA-N 1 1 395.511 2.445 20 0 GEADMO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000735941005 599287911 /nfs/dbraw/zinc/28/79/11/599287911.db2.gz UZPCZAFWLITUFT-INIZCTEOSA-N 1 1 382.472 2.079 20 0 GEADMO C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000820656565 599291336 /nfs/dbraw/zinc/29/13/36/599291336.db2.gz GNTSRHBCJFTBGR-GXSJLCMTSA-N 1 1 383.378 2.490 20 0 GEADMO CCC(CC)C[N@@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736338604 598233150 /nfs/dbraw/zinc/23/31/50/598233150.db2.gz YRYDJEBZVQKAGL-FQEVSTJZSA-N 1 1 399.499 2.349 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569333 598238059 /nfs/dbraw/zinc/23/80/59/598238059.db2.gz GDSKSUQPTAOYOA-GOSISDBHSA-N 1 1 384.484 2.111 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738388900 598253516 /nfs/dbraw/zinc/25/35/16/598253516.db2.gz UHFPWYWGHZHXHH-FUHWJXTLSA-N 1 1 383.427 2.235 20 0 GEADMO CC(C)COC(=O)N1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735838534 598254376 /nfs/dbraw/zinc/25/43/76/598254376.db2.gz FIVVLORGEYSFSV-UHFFFAOYSA-N 1 1 388.472 2.046 20 0 GEADMO C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736235457 598260579 /nfs/dbraw/zinc/26/05/79/598260579.db2.gz BRCXXJHSVLQSDX-XHSDSOJGSA-N 1 1 398.511 2.498 20 0 GEADMO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000738146116 598266572 /nfs/dbraw/zinc/26/65/72/598266572.db2.gz PZAADJXHIFLJMS-GFCCVEGCSA-N 1 1 393.398 2.170 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735857758 598327500 /nfs/dbraw/zinc/32/75/00/598327500.db2.gz YKUPHTCKRHXNPK-UHFFFAOYSA-N 1 1 389.479 2.268 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736573166 598357870 /nfs/dbraw/zinc/35/78/70/598357870.db2.gz XSWGWSSQIYDWRY-MRXNPFEDSA-N 1 1 396.451 2.253 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145934 598363715 /nfs/dbraw/zinc/36/37/15/598363715.db2.gz 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C[N@@H+]1C[C@H]2CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@H]2C1 ZINC000192489257 645209490 /nfs/dbraw/zinc/20/94/90/645209490.db2.gz SNOYVBAGAJAICQ-TXEJJXNPSA-N 1 1 376.507 2.019 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]2C1 ZINC000192500081 645209871 /nfs/dbraw/zinc/20/98/71/645209871.db2.gz PHPDVIXFFYWGEU-OKILXGFUSA-N 1 1 375.270 2.268 20 0 GEADMO CCOC(=O)C[NH+]1CCC(COC(=O)c2cc(Br)cn2C)CC1 ZINC000192818912 645224078 /nfs/dbraw/zinc/22/40/78/645224078.db2.gz PLAPFENECSSOQN-UHFFFAOYSA-N 1 1 387.274 2.220 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000193079812 645238746 /nfs/dbraw/zinc/23/87/46/645238746.db2.gz GJWRCSSVTQINNZ-UHFFFAOYSA-N 1 1 391.269 2.031 20 0 GEADMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ncc1Br ZINC000193084464 645239548 /nfs/dbraw/zinc/23/95/48/645239548.db2.gz WDKRAQPUYWNHJN-WCQYABFASA-N 1 1 397.317 2.328 20 0 GEADMO CCS(=O)(=O)C1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000193246238 645255513 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CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000194717057 645345155 /nfs/dbraw/zinc/34/51/55/645345155.db2.gz LFIJXPFNFSBYNR-CYBMUJFWSA-N 1 1 387.933 2.193 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C[C@H]2C1 ZINC000194931681 645349424 /nfs/dbraw/zinc/34/94/24/645349424.db2.gz LYSBRYKPSARJHS-AOOOYVTPSA-N 1 1 375.778 2.317 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cc(Br)cn1 ZINC000546607687 651004084 /nfs/dbraw/zinc/00/40/84/651004084.db2.gz HPGPTDLWJFIQPD-XJKSGUPXSA-N 1 1 377.286 2.282 20 0 GEADMO C[C@H]1C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000195341151 645372731 /nfs/dbraw/zinc/37/27/31/645372731.db2.gz IEPQUTSJZBVOIR-STQMWFEESA-N 1 1 378.897 2.398 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(I)c(O)c1 ZINC000230889228 645400521 /nfs/dbraw/zinc/40/05/21/645400521.db2.gz HUQQWNSGRXZIPY-VXGBXAGGSA-N 1 1 386.233 2.353 20 0 GEADMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000237460183 645432619 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/nfs/dbraw/zinc/50/55/43/645505543.db2.gz VYFKCSNOQAGVLY-IUODEOHRSA-N 1 1 390.311 2.437 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC000247200249 645507417 /nfs/dbraw/zinc/50/74/17/645507417.db2.gz LOSJRCBYJXKNTA-OWCLPIDISA-N 1 1 375.579 2.350 20 0 GEADMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247210288 645507978 /nfs/dbraw/zinc/50/79/78/645507978.db2.gz WWODUGNJROYWQF-UKRRQHHQSA-N 1 1 386.901 2.231 20 0 GEADMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247483656 645510151 /nfs/dbraw/zinc/51/01/51/645510151.db2.gz SWWPJRYWICIYLQ-NQBHXWOUSA-N 1 1 384.325 2.487 20 0 GEADMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247483656 645510155 /nfs/dbraw/zinc/51/01/55/645510155.db2.gz SWWPJRYWICIYLQ-NQBHXWOUSA-N 1 1 384.325 2.487 20 0 GEADMO CN1CC[N@H+](C)C[C@@H]1c1noc(-c2cccc(I)c2)n1 ZINC000547206700 651018628 /nfs/dbraw/zinc/01/86/28/651018628.db2.gz VPNZZVMMMGLDNC-GFCCVEGCSA-N 1 1 384.221 2.260 20 0 GEADMO CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2cccc(I)c2)n1 ZINC000547206700 651018631 /nfs/dbraw/zinc/01/86/31/651018631.db2.gz VPNZZVMMMGLDNC-GFCCVEGCSA-N 1 1 384.221 2.260 20 0 GEADMO Cc1cc(NC(=O)CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000247769932 645517895 /nfs/dbraw/zinc/51/78/95/645517895.db2.gz OUFHCAMJJASIGK-KBPBESRZSA-N 1 1 384.318 2.083 20 0 GEADMO CC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000248453258 645527715 /nfs/dbraw/zinc/52/77/15/645527715.db2.gz JWLBRZBGZWCZAE-CHWSQXEVSA-N 1 1 383.432 2.200 20 0 GEADMO CC[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000248453258 645527725 /nfs/dbraw/zinc/52/77/25/645527725.db2.gz JWLBRZBGZWCZAE-CHWSQXEVSA-N 1 1 383.432 2.200 20 0 GEADMO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000248784360 645538802 /nfs/dbraw/zinc/53/88/02/645538802.db2.gz WBFKCNNCSIBZSW-GXTWGEPZSA-N 1 1 388.917 2.462 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1Br ZINC000249127553 645546100 /nfs/dbraw/zinc/54/61/00/645546100.db2.gz COHIEJLDLNCKDK-TZMCWYRMSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000249172860 645547870 /nfs/dbraw/zinc/54/78/70/645547870.db2.gz LOAGSISYFBNXLJ-GXFFZTMASA-N 1 1 386.265 2.325 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000249215646 645550059 /nfs/dbraw/zinc/55/00/59/645550059.db2.gz TTYRAHIHUFSXSH-PWSUYJOCSA-N 1 1 384.249 2.222 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)n1 ZINC000249228788 645550959 /nfs/dbraw/zinc/55/09/59/645550959.db2.gz VGOKUBLVXNKMBE-RYUDHWBXSA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000249328966 645552355 /nfs/dbraw/zinc/55/23/55/645552355.db2.gz OSPYJBIIMWUEKL-NWDGAFQWSA-N 1 1 382.309 2.242 20 0 GEADMO CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000249328966 645552364 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ZINC000563530884 651530292 /nfs/dbraw/zinc/53/02/92/651530292.db2.gz QLIYAFYKRZXNAU-UHFFFAOYSA-N 1 1 398.326 2.474 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644297552 651531872 /nfs/dbraw/zinc/53/18/72/651531872.db2.gz AWCXPEVQYGGTJJ-YDHLFZDLSA-N 1 1 388.917 2.078 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000644299728 651533157 /nfs/dbraw/zinc/53/31/57/651533157.db2.gz ATHUGRUIEUYKRZ-YUMQZZPRSA-N 1 1 385.736 2.489 20 0 GEADMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000644300959 651533489 /nfs/dbraw/zinc/53/34/89/651533489.db2.gz OUBQFNIFANMVPB-BXKDBHETSA-N 1 1 379.707 2.427 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)[C@@H]2C1 ZINC000644303147 651534158 /nfs/dbraw/zinc/53/41/58/651534158.db2.gz UEZSYYQSGWICTE-JOYOIKCWSA-N 1 1 379.707 2.427 20 0 GEADMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644302238 651534429 /nfs/dbraw/zinc/53/44/29/651534429.db2.gz 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ZINC000606753946 651558713 /nfs/dbraw/zinc/55/87/13/651558713.db2.gz JCCMCUPJKPNXCE-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1nnc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000644617871 651558721 /nfs/dbraw/zinc/55/87/21/651558721.db2.gz JRYFXJSJTIUXMZ-NSHDSACASA-N 1 1 376.251 2.278 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000644628354 651559118 /nfs/dbraw/zinc/55/91/18/651559118.db2.gz VVNSCBDRVGEURQ-HUUCEWRRSA-N 1 1 397.313 2.437 20 0 GEADMO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(F)c(F)cc2Br)C[C@@H](C)O1 ZINC000644646182 651561002 /nfs/dbraw/zinc/56/10/02/651561002.db2.gz WNUUJXFZJLUJQU-NQBHXWOUSA-N 1 1 393.272 2.287 20 0 GEADMO CC(C)(CO)[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000644689152 651563422 /nfs/dbraw/zinc/56/34/22/651563422.db2.gz GWTVWZRPJDJMJJ-UHFFFAOYSA-N 1 1 396.285 2.048 20 0 GEADMO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)n2)s1 ZINC000564458597 651568191 /nfs/dbraw/zinc/56/81/91/651568191.db2.gz RJBYHIKOLNDJJM-UHFFFAOYSA-N 1 1 379.511 2.032 20 0 GEADMO Cn1cc[nH+]c1[C@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000564465817 651568713 /nfs/dbraw/zinc/56/87/13/651568713.db2.gz UNFAKVJONKMYHO-IINYFYTJSA-N 1 1 381.249 2.338 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000644816200 651570110 /nfs/dbraw/zinc/57/01/10/651570110.db2.gz USLJLIULLDWDKU-LRDDRELGSA-N 1 1 375.270 2.411 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@@H]2C1 ZINC000644816197 651570140 /nfs/dbraw/zinc/57/01/40/651570140.db2.gz USLJLIULLDWDKU-BLLLJJGKSA-N 1 1 375.270 2.411 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)CSc3nncn3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000644822142 651570420 /nfs/dbraw/zinc/57/04/20/651570420.db2.gz JMHKHGSQAHHISR-IUODEOHRSA-N 1 1 377.901 2.175 20 0 GEADMO O=C(NCCc1ccccc1Br)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729499250 651570995 /nfs/dbraw/zinc/57/09/95/651570995.db2.gz CGIXURXIDZMTJE-CABCVRRESA-N 1 1 382.302 2.154 20 0 GEADMO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(Br)c1 ZINC000564645971 651572743 /nfs/dbraw/zinc/57/27/43/651572743.db2.gz MZIFXNKUSPJGEZ-ZDUSSCGKSA-N 1 1 390.299 2.293 20 0 GEADMO CN1CCC[N@H+](CCCNCc2cc3c(cc2Br)OCO3)CC1 ZINC000729684229 651574342 /nfs/dbraw/zinc/57/43/42/651574342.db2.gz MQNKTPZDGHERDG-UHFFFAOYSA-N 1 1 384.318 2.295 20 0 GEADMO CN1CCC[N@@H+](CCCNCc2cc3c(cc2Br)OCO3)CC1 ZINC000729684229 651574350 /nfs/dbraw/zinc/57/43/50/651574350.db2.gz MQNKTPZDGHERDG-UHFFFAOYSA-N 1 1 384.318 2.295 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000644939591 651578607 /nfs/dbraw/zinc/57/86/07/651578607.db2.gz UVLHHPVOTZKZKO-MRXNPFEDSA-N 1 1 398.345 2.312 20 0 GEADMO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000564995544 651587677 /nfs/dbraw/zinc/58/76/77/651587677.db2.gz PFGXCDSQPQSMID-GXFFZTMASA-N 1 1 392.233 2.412 20 0 GEADMO Cn1c(SCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nnc1-c1cccs1 ZINC000565299188 651592090 /nfs/dbraw/zinc/59/20/90/651592090.db2.gz HWQCINFZUCJFKA-QWHCGFSZSA-N 1 1 377.539 2.188 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000645219268 651593821 /nfs/dbraw/zinc/59/38/21/651593821.db2.gz FQVXAPMMRYDGSB-STQMWFEESA-N 1 1 382.302 2.495 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000645219268 651593825 /nfs/dbraw/zinc/59/38/25/651593825.db2.gz FQVXAPMMRYDGSB-STQMWFEESA-N 1 1 382.302 2.495 20 0 GEADMO COc1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc(Cl)c1OC ZINC000565626259 651593931 /nfs/dbraw/zinc/59/39/31/651593931.db2.gz NTWDIBFFDYTMJN-CYBMUJFWSA-N 1 1 390.933 2.461 20 0 GEADMO COc1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc(Cl)c1OC ZINC000565626259 651593932 /nfs/dbraw/zinc/59/39/32/651593932.db2.gz NTWDIBFFDYTMJN-CYBMUJFWSA-N 1 1 390.933 2.461 20 0 GEADMO Brc1ccc2nc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cn2c1 ZINC000608510662 651599995 /nfs/dbraw/zinc/59/99/95/651599995.db2.gz XCAJMCPYRSKTMP-MRXNPFEDSA-N 1 1 379.302 2.393 20 0 GEADMO Brc1cnn(Cc2cnc(N3CCN(c4[nH]cc[nH+]4)CC3)s2)c1 ZINC000565984261 651601827 /nfs/dbraw/zinc/60/18/27/651601827.db2.gz RTVPQKZLSVYIPS-UHFFFAOYSA-N 1 1 394.302 2.200 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000608643641 651603603 /nfs/dbraw/zinc/60/36/03/651603603.db2.gz JVAOLPOPVRIPPX-AWEZNQCLSA-N 1 1 383.290 2.171 20 0 GEADMO COc1ncc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000645433368 651604113 /nfs/dbraw/zinc/60/41/13/651604113.db2.gz KNYDDHCIJRJHLF-GFCCVEGCSA-N 1 1 375.903 2.386 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)c(F)cc1Cl ZINC000645467557 651608172 /nfs/dbraw/zinc/60/81/72/651608172.db2.gz FBDWQWWYLLBSPI-GFCCVEGCSA-N 1 1 390.286 2.269 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000731026019 651616401 /nfs/dbraw/zinc/61/64/01/651616401.db2.gz VBTCFMOZWDLPEZ-LBPRGKRZSA-N 1 1 378.274 2.101 20 0 GEADMO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731038646 651616448 /nfs/dbraw/zinc/61/64/48/651616448.db2.gz JRERLHGCUQZMFR-SNVBAGLBSA-N 1 1 395.294 2.217 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000645626229 651629790 /nfs/dbraw/zinc/62/97/90/651629790.db2.gz PNKLYIZHYUGTHL-GXTWGEPZSA-N 1 1 380.286 2.167 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000645624073 651630110 /nfs/dbraw/zinc/63/01/10/651630110.db2.gz UFWFLCZHRIFAMZ-BBRMVZONSA-N 1 1 392.297 2.039 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000645694832 651639653 /nfs/dbraw/zinc/63/96/53/651639653.db2.gz ZEUGJSVKPYZAKK-QGZVFWFLSA-N 1 1 398.276 2.389 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000568043982 651647437 /nfs/dbraw/zinc/64/74/37/651647437.db2.gz IJLFBVGGENJZHH-INIZCTEOSA-N 1 1 392.301 2.381 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000568043982 651647442 /nfs/dbraw/zinc/64/74/42/651647442.db2.gz IJLFBVGGENJZHH-INIZCTEOSA-N 1 1 392.301 2.381 20 0 GEADMO CN(CN1c2ccc(Br)cc2C(=O)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732187883 651647751 /nfs/dbraw/zinc/64/77/51/651647751.db2.gz APUXWPHQGHZGCR-ZDUSSCGKSA-N 1 1 378.270 2.104 20 0 GEADMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000732226649 651649985 /nfs/dbraw/zinc/64/99/85/651649985.db2.gz MLWYDGCOZCDCCG-LLVKDONJSA-N 1 1 394.722 2.355 20 0 GEADMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000732226649 651649988 /nfs/dbraw/zinc/64/99/88/651649988.db2.gz MLWYDGCOZCDCCG-LLVKDONJSA-N 1 1 394.722 2.355 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)Cc2cnccc2Cl)c2cccs2)CC1 ZINC000568213413 651656705 /nfs/dbraw/zinc/65/67/05/651656705.db2.gz SABXIDZWOYVTMF-MRXNPFEDSA-N 1 1 378.929 2.444 20 0 GEADMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1(C)C ZINC000568217435 651657393 /nfs/dbraw/zinc/65/73/93/651657393.db2.gz RJBHUZRLSXUPHO-ZDUSSCGKSA-N 1 1 380.286 2.428 20 0 GEADMO CCOC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000610342117 651657573 /nfs/dbraw/zinc/65/75/73/651657573.db2.gz ZAVSQXZZHPPIDP-CYBMUJFWSA-N 1 1 387.249 2.438 20 0 GEADMO COc1cc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)c(Br)cc1O ZINC000645924611 651670024 /nfs/dbraw/zinc/67/00/24/651670024.db2.gz MSCZUEBLJOUFCA-GFCCVEGCSA-N 1 1 386.290 2.399 20 0 GEADMO Cc1ccc(CNC(=O)c2nn(C)cc2Br)c(N2CCCC2)[nH+]1 ZINC000645970524 651672408 /nfs/dbraw/zinc/67/24/08/651672408.db2.gz TXHKFPFBLVWLBT-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1nc(NCc2ccco2)ncc1Cl ZINC000732776719 651673293 /nfs/dbraw/zinc/67/32/93/651673293.db2.gz DHPJGKAZQFOSTO-UHFFFAOYSA-N 1 1 381.889 2.114 20 0 GEADMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811234 651675451 /nfs/dbraw/zinc/67/54/51/651675451.db2.gz PGDTZLLWEPYTBN-GXTWGEPZSA-N 1 1 380.794 2.175 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732892190 651679297 /nfs/dbraw/zinc/67/92/97/651679297.db2.gz UUCZSMPCFPLKFQ-CQSZACIVSA-N 1 1 378.325 2.375 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000568848746 651684337 /nfs/dbraw/zinc/68/43/37/651684337.db2.gz KZCMDQJPBJXMCE-NSHDSACASA-N 1 1 378.274 2.361 20 0 GEADMO CCN1CC[NH+](CCC(=O)NCc2nc3ccc(Br)cc3o2)CC1 ZINC000568977987 651693452 /nfs/dbraw/zinc/69/34/52/651693452.db2.gz OKRGDZOORMLTKN-UHFFFAOYSA-N 1 1 395.301 2.234 20 0 GEADMO COc1ccc(Br)cc1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000646443006 651696669 /nfs/dbraw/zinc/69/66/69/651696669.db2.gz AXXXJNZJMYPKIT-HZPDHXFCSA-N 1 1 397.313 2.322 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000646448575 651696704 /nfs/dbraw/zinc/69/67/04/651696704.db2.gz BVSCLYCFEBNPBZ-HZPDHXFCSA-N 1 1 383.286 2.150 20 0 GEADMO CN1CCN(C[C@H](O)C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000569062253 651697496 /nfs/dbraw/zinc/69/74/96/651697496.db2.gz DNHTUXAYUDJAGL-AEFFLSMTSA-N 1 1 396.373 2.270 20 0 GEADMO C[NH+]1CCN(CC2CN(C(=O)c3ccc(Br)cc3Cl)C2)CC1 ZINC000646460951 651698113 /nfs/dbraw/zinc/69/81/13/651698113.db2.gz MGLGUSZKJDCABB-UHFFFAOYSA-N 1 1 386.721 2.422 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CSc2ccccc21)c1ccsc1 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ZINC000856946116 653259177 /nfs/dbraw/zinc/25/91/77/653259177.db2.gz FACYZXBXTVBFJH-UKRRQHHQSA-N 1 1 377.360 2.380 20 0 GEADMO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@H+]1CCC[C@H](C)C1 ZINC000856966922 653263458 /nfs/dbraw/zinc/26/34/58/653263458.db2.gz GYKVWOVJEVLVOB-NWDGAFQWSA-N 1 1 385.306 2.026 20 0 GEADMO C[C@H](CNC(=O)c1c(Br)nc2n1CCOC2)[N@H+]1CCCC[C@@H]1C ZINC000856960249 653263646 /nfs/dbraw/zinc/26/36/46/653263646.db2.gz NNPXKMZJDQPUSC-NWDGAFQWSA-N 1 1 385.306 2.169 20 0 GEADMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000856990407 653267413 /nfs/dbraw/zinc/26/74/13/653267413.db2.gz BOTAXSQBJKZPKN-UHFFFAOYSA-N 1 1 386.290 2.123 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857018242 653275756 /nfs/dbraw/zinc/27/57/56/653275756.db2.gz YYQQHBJZSOHFKT-RYUDHWBXSA-N 1 1 385.306 2.026 20 0 GEADMO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cn1 ZINC000684555738 653275892 /nfs/dbraw/zinc/27/58/92/653275892.db2.gz MDUISFJCMXSPHL-PGUXBMHVSA-N 1 1 378.274 2.422 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CC[C@H]21 ZINC000874171794 653278850 /nfs/dbraw/zinc/27/88/50/653278850.db2.gz FRUNRDOZWAYWAJ-QMTHXVAHSA-N 1 1 384.249 2.079 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@@H]21 ZINC000874171384 653279158 /nfs/dbraw/zinc/27/91/58/653279158.db2.gz CGUZZRNVTYPSGN-YGRLFVJLSA-N 1 1 384.249 2.079 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000874172429 653279277 /nfs/dbraw/zinc/27/92/77/653279277.db2.gz YXTNDXHORBTVJM-WFASDCNBSA-N 1 1 380.286 2.249 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(F)c1Br ZINC000874172640 653279699 /nfs/dbraw/zinc/27/96/99/653279699.db2.gz CWQPZFHYTOYNDQ-SMDDNHRTSA-N 1 1 398.276 2.388 20 0 GEADMO Brc1cnn(CCCCNc2nc(N3CCOCC3)cc[nH+]2)c1 ZINC000684591680 653280531 /nfs/dbraw/zinc/28/05/31/653280531.db2.gz YGCCJNJXTZWGLG-UHFFFAOYSA-N 1 1 381.278 2.165 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 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653315197 /nfs/dbraw/zinc/31/51/97/653315197.db2.gz SLEZLSGBUWQINT-BLVKFPJESA-N 1 1 380.329 2.026 20 0 GEADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000835935738 653316001 /nfs/dbraw/zinc/31/60/01/653316001.db2.gz QKTDONYEQZGHCN-LBPRGKRZSA-N 1 1 383.290 2.034 20 0 GEADMO O=C(NCCO)C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000775651671 653320461 /nfs/dbraw/zinc/32/04/61/653320461.db2.gz AOGJAERVLUWJTB-UHFFFAOYSA-N 1 1 375.694 2.423 20 0 GEADMO O=C(NC[C@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)C1)C(F)(F)F ZINC000810067769 653320946 /nfs/dbraw/zinc/32/09/46/653320946.db2.gz BFCRHLUMASAFPF-CHWSQXEVSA-N 1 1 380.432 2.016 20 0 GEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)nn1 ZINC000711771719 653323314 /nfs/dbraw/zinc/32/33/14/653323314.db2.gz KXPNYTJETILMEE-KRWDZBQOSA-N 1 1 377.286 2.312 20 0 GEADMO CN(Cc1cn(C)nc1Br)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000714080962 653324421 /nfs/dbraw/zinc/32/44/21/653324421.db2.gz GHOJQPGCOKYJHS-GOSISDBHSA-N 1 1 393.329 2.251 20 0 GEADMO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)nc1 ZINC000810216030 653331179 /nfs/dbraw/zinc/33/11/79/653331179.db2.gz CJKJQANOTQQCNP-CYBMUJFWSA-N 1 1 383.334 2.437 20 0 GEADMO C[C@H]1C[C@@H](C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000810314681 653334524 /nfs/dbraw/zinc/33/45/24/653334524.db2.gz FQKUDVZBLCIJIC-ZFWWWQNUSA-N 1 1 396.329 2.416 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)NCC[C@@H]2CCSC2)c2cccs2)CC1 ZINC000875004063 653346503 /nfs/dbraw/zinc/34/65/03/653346503.db2.gz IFLARUUBEAMBHG-HZPDHXFCSA-N 1 1 382.599 2.479 20 0 GEADMO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000875002395 653346668 /nfs/dbraw/zinc/34/66/68/653346668.db2.gz YVMXBNHCSISPNS-GXTWGEPZSA-N 1 1 376.328 2.210 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)NCC[C@H]2CCSC2)c2cccs2)CC1 ZINC000875004062 653346709 /nfs/dbraw/zinc/34/67/09/653346709.db2.gz IFLARUUBEAMBHG-HOTGVXAUSA-N 1 1 382.599 2.479 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836356295 653347075 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CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCc2ccc(F)cc2Br)C1 ZINC000875140731 653354410 /nfs/dbraw/zinc/35/44/10/653354410.db2.gz SUAYUBGWYSPRTH-ZDUSSCGKSA-N 1 1 388.281 2.233 20 0 GEADMO CON(C)C(=O)[C@H](C)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000858319908 653359450 /nfs/dbraw/zinc/35/94/50/653359450.db2.gz SVJUKGSKSVYHOC-LBPRGKRZSA-N 1 1 381.274 2.441 20 0 GEADMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000858380418 653362036 /nfs/dbraw/zinc/36/20/36/653362036.db2.gz BPAXWBORKNKMKD-ZDUSSCGKSA-N 1 1 382.507 2.390 20 0 GEADMO Cn1nc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1Cl ZINC000858593543 653368424 /nfs/dbraw/zinc/36/84/24/653368424.db2.gz FISQXFQXOLWDTB-UHFFFAOYSA-N 1 1 383.279 2.489 20 0 GEADMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(Br)cn2)CCCO1 ZINC000875534515 653375456 /nfs/dbraw/zinc/37/54/56/653375456.db2.gz LTRFPLKLSCCOMH-CYBMUJFWSA-N 1 1 385.306 2.144 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)ncc1Br ZINC000811136544 653375410 /nfs/dbraw/zinc/37/54/10/653375410.db2.gz KJMJDBOBADFQLT-NSHDSACASA-N 1 1 389.725 2.253 20 0 GEADMO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000858903200 653384352 /nfs/dbraw/zinc/38/43/52/653384352.db2.gz MPNJOMJBRSAHDW-HUUCEWRRSA-N 1 1 387.889 2.423 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859009939 653393122 /nfs/dbraw/zinc/39/31/22/653393122.db2.gz BDNQMRQQGCJFSY-MNOVXSKESA-N 1 1 394.310 2.477 20 0 GEADMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)nc2F)CC[N@H+]1C ZINC000859015306 653394268 /nfs/dbraw/zinc/39/42/68/653394268.db2.gz UXHKJAKPLDAIPU-UWVGGRQHSA-N 1 1 380.283 2.086 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)/C=C/[C@H]2CCOC2)CC1 ZINC000837008429 653394501 /nfs/dbraw/zinc/39/45/01/653394501.db2.gz PXCDHWDAITZRRS-IBUXWKBASA-N 1 1 395.301 2.127 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2CCC=CO2)CC1 ZINC000837012546 653395392 /nfs/dbraw/zinc/39/53/92/653395392.db2.gz MPLIFIURNXYFSH-AWEZNQCLSA-N 1 1 381.274 2.227 20 0 GEADMO 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GEADMO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000819825844 653758373 /nfs/dbraw/zinc/75/83/73/653758373.db2.gz YCTLMGVVPUSFST-MNOVXSKESA-N 1 1 395.472 2.273 20 0 GEADMO O=S(=O)(CC=C(Cl)Cl)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000882055779 653759672 /nfs/dbraw/zinc/75/96/72/653759672.db2.gz UZNAETZISYERQL-HNNXBMFYSA-N 1 1 393.336 2.382 20 0 GEADMO O=C1[C@H]([NH2+]Cc2cc(Br)cnc2Cl)CCN1C1CCOCC1 ZINC000842687665 653762962 /nfs/dbraw/zinc/76/29/62/653762962.db2.gz UUSPUHVHXJQIRX-CYBMUJFWSA-N 1 1 388.693 2.367 20 0 GEADMO Brc1nnc2ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nn12 ZINC000882118789 653763593 /nfs/dbraw/zinc/76/35/93/653763593.db2.gz AQWSRTMSXZEVSS-AAEUAGOBSA-N 1 1 377.290 2.340 20 0 GEADMO CCCNC(=O)C[NH+]1CCC(NCc2nccc(C)c2Br)CC1 ZINC000865412255 653764719 /nfs/dbraw/zinc/76/47/19/653764719.db2.gz LYXVFYHNXLDHEE-UHFFFAOYSA-N 1 1 383.334 2.233 20 0 GEADMO CC(C)(C)OC(=O)N(CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)C(C)(C)C ZINC000788844062 653765201 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O[C@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1Br ZINC000865596730 653769344 /nfs/dbraw/zinc/76/93/44/653769344.db2.gz XKCSTRUSNMPQSD-CZUORRHYSA-N 1 1 381.274 2.043 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1Br ZINC000842836671 653770262 /nfs/dbraw/zinc/77/02/62/653770262.db2.gz VGJVEDLYHNMFQF-NXEZZACHSA-N 1 1 375.288 2.023 20 0 GEADMO O=C(COC(=O)c1nc(Cl)cs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000789210863 653770344 /nfs/dbraw/zinc/77/03/44/653770344.db2.gz MHEUPMSLLHRZPR-UHFFFAOYSA-N 1 1 379.869 2.298 20 0 GEADMO COc1cc(Cl)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000865625285 653770372 /nfs/dbraw/zinc/77/03/72/653770372.db2.gz ZUDPHLICYQFISI-UHFFFAOYSA-N 1 1 375.796 2.424 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000865747796 653773789 /nfs/dbraw/zinc/77/37/89/653773789.db2.gz UDHRANMWQCRXRH-ARFHVFGLSA-N 1 1 381.339 2.500 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C)C[C@@H]1C ZINC000842931226 653774437 /nfs/dbraw/zinc/77/44/37/653774437.db2.gz BGRQKHLDCDUIPC-TXEJJXNPSA-N 1 1 397.321 2.118 20 0 GEADMO Cc1c(Br)cccc1CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000820459086 653774922 /nfs/dbraw/zinc/77/49/22/653774922.db2.gz KVJLUKJLBQBRMU-UHFFFAOYSA-N 1 1 380.330 2.006 20 0 GEADMO Brc1cccc2c1C[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CO2 ZINC000865821419 653776439 /nfs/dbraw/zinc/77/64/39/653776439.db2.gz YFICXCQCHXKNIS-CHWSQXEVSA-N 1 1 393.285 2.170 20 0 GEADMO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000789558331 653777218 /nfs/dbraw/zinc/77/72/18/653777218.db2.gz WZBIURLCQLUASP-ZDUSSCGKSA-N 1 1 378.226 2.429 20 0 GEADMO Cn1ncc(I)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865868008 653777814 /nfs/dbraw/zinc/77/78/14/653777814.db2.gz DMFDUQXNTYLCLC-CQSZACIVSA-N 1 1 396.276 2.389 20 0 GEADMO Cn1ncc(I)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000865868008 653777816 /nfs/dbraw/zinc/77/78/16/653777816.db2.gz DMFDUQXNTYLCLC-CQSZACIVSA-N 1 1 396.276 2.389 20 0 GEADMO C[C@@](O)(C[NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(Br)cc1F ZINC000843061686 653778397 /nfs/dbraw/zinc/77/83/97/653778397.db2.gz HFGSOBRVRZPHIR-RHSMWYFYSA-N 1 1 389.309 2.232 20 0 GEADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)no1 ZINC000865896810 653779097 /nfs/dbraw/zinc/77/90/97/653779097.db2.gz SGGRGFYMIKHEPL-UHFFFAOYSA-N 1 1 380.242 2.199 20 0 GEADMO CC[NH2+]Cc1noc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)n1 ZINC000843144280 653780450 /nfs/dbraw/zinc/78/04/50/653780450.db2.gz QWFYDIKGYYHAQN-UHFFFAOYSA-N 1 1 378.479 2.386 20 0 GEADMO O=C(CC[C@@H]1CC1(Cl)Cl)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000820737356 653781698 /nfs/dbraw/zinc/78/16/98/653781698.db2.gz AWSMXLUQKSNTAW-CQSZACIVSA-N 1 1 386.327 2.079 20 0 GEADMO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000820786836 653783233 /nfs/dbraw/zinc/78/32/33/653783233.db2.gz XHDJAZBHVBPCFR-UHFFFAOYSA-N 1 1 385.555 2.056 20 0 GEADMO CCN(OC)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000843430140 653786697 /nfs/dbraw/zinc/78/66/97/653786697.db2.gz GMNHVZJRVKAHAY-UHFFFAOYSA-N 1 1 395.095 2.293 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCc2cc(Br)ccc21 ZINC000843778715 653793752 /nfs/dbraw/zinc/79/37/52/653793752.db2.gz JNRBNYYICFKYPX-INMHGKMJSA-N 1 1 379.298 2.458 20 0 GEADMO O=S(=O)(CCn1cccn1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000866429887 653795113 /nfs/dbraw/zinc/79/51/13/653795113.db2.gz RUFKFFFGBPRYRC-UHFFFAOYSA-N 1 1 382.917 2.121 20 0 GEADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1cnc(Br)n1 ZINC000821349524 653795594 /nfs/dbraw/zinc/79/55/94/653795594.db2.gz YJPAPMKCLHFVBU-LBPRGKRZSA-N 1 1 376.262 2.314 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790667869 653795788 /nfs/dbraw/zinc/79/57/88/653795788.db2.gz BRKMHLLXAGYVMD-ZBFHGGJFSA-N 1 1 377.360 2.239 20 0 GEADMO COc1ccc(Br)cc1C1(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000843958335 653797809 /nfs/dbraw/zinc/79/78/09/653797809.db2.gz XSDFZGXEOCTGND-UHFFFAOYSA-N 1 1 383.286 2.285 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000790967001 653801900 /nfs/dbraw/zinc/80/19/00/653801900.db2.gz AUCWTZHURUUNCC-GFCCVEGCSA-N 1 1 383.290 2.019 20 0 GEADMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000844330871 653805050 /nfs/dbraw/zinc/80/50/50/653805050.db2.gz DVQULSWKRUJRNW-OAHLLOKOSA-N 1 1 377.551 2.037 20 0 GEADMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1 ZINC000844373758 653805333 /nfs/dbraw/zinc/80/53/33/653805333.db2.gz PRLKDKUIFPLCIB-YJBOKZPZSA-N 1 1 386.945 2.295 20 0 GEADMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866632401 653807407 /nfs/dbraw/zinc/80/74/07/653807407.db2.gz ZBVGJJKLFSBSAI-UHFFFAOYSA-N 1 1 382.452 2.324 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000866645050 653808137 /nfs/dbraw/zinc/80/81/37/653808137.db2.gz VYVKAPSHHOMXCT-UHFFFAOYSA-N 1 1 397.513 2.081 20 0 GEADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccnc2Br)C[C@@H](C)O1 ZINC000791308153 653808280 /nfs/dbraw/zinc/80/82/80/653808280.db2.gz 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0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000136324735 532284161 /nfs/dbraw/zinc/28/41/61/532284161.db2.gz RNOAAJHZDRSGNL-UHFFFAOYSA-N 1 1 386.290 2.243 20 0 GEADMO O=C(C[C@H]1CSCCS1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180878553 532284337 /nfs/dbraw/zinc/28/43/37/532284337.db2.gz TVGATYBJAGJHJG-MSOLQXFVSA-N 1 1 380.579 2.498 20 0 GEADMO COC(=O)CNC(=O)CC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180880019 532284469 /nfs/dbraw/zinc/28/44/69/532284469.db2.gz VWDGSNYEWZZNGP-UHFFFAOYSA-N 1 1 379.507 2.217 20 0 GEADMO C/C(=C/C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000136486728 532284494 /nfs/dbraw/zinc/28/44/94/532284494.db2.gz QZIPNAOSMSHLHL-ZSMUJPCHSA-N 1 1 384.929 2.321 20 0 GEADMO Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H](O)CN2CCOCC2)C3)cs1 ZINC000180882388 532285009 /nfs/dbraw/zinc/28/50/09/532285009.db2.gz FGPQMIWZMGSHDB-OAHLLOKOSA-N 1 1 379.551 2.231 20 0 GEADMO C[C@@H](C[NH+]1CCOCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000180475543 532272828 /nfs/dbraw/zinc/27/28/28/532272828.db2.gz RIGQWUZWVXDWJE-AWEZNQCLSA-N 1 1 386.323 2.472 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc(Br)s2)cn1 ZINC000181407685 532297700 /nfs/dbraw/zinc/29/77/00/532297700.db2.gz VVJUGSYDVVEOBM-LQPUYASZSA-N 1 1 381.299 2.430 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181435744 532298650 /nfs/dbraw/zinc/29/86/50/532298650.db2.gz VWUDOJDVMAVHGQ-INIZCTEOSA-N 1 1 377.286 2.207 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000181474384 532299124 /nfs/dbraw/zinc/29/91/24/532299124.db2.gz OHSLEDXIYPWLCN-LLVKDONJSA-N 1 1 378.885 2.298 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)[N@H+]1CCc2sccc2C1 ZINC000181474384 532299128 /nfs/dbraw/zinc/29/91/28/532299128.db2.gz OHSLEDXIYPWLCN-LLVKDONJSA-N 1 1 378.885 2.298 20 0 GEADMO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2Br)C1 ZINC000181518991 532299941 /nfs/dbraw/zinc/29/99/41/532299941.db2.gz FXFXTRSYUOJWET-AWEZNQCLSA-N 1 1 396.329 2.401 20 0 GEADMO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000181765672 532305590 /nfs/dbraw/zinc/30/55/90/532305590.db2.gz DOXIYZITNYTVPF-WBVHZDCISA-N 1 1 383.897 2.455 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1I ZINC000150989904 532305625 /nfs/dbraw/zinc/30/56/25/532305625.db2.gz YRDDBGIEHYXXRA-UHFFFAOYSA-N 1 1 386.233 2.220 20 0 GEADMO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000181765635 532306025 /nfs/dbraw/zinc/30/60/25/532306025.db2.gz DOXIYZITNYTVPF-RDJZCZTQSA-N 1 1 383.897 2.455 20 0 GEADMO C[C@@H](NC(=O)NCCCc1cccc(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000151054094 532306677 /nfs/dbraw/zinc/30/66/77/532306677.db2.gz SZIWIXZRLZBCEH-CZUORRHYSA-N 1 1 384.318 2.400 20 0 GEADMO C[C@@H](NC(=O)NCCCc1cccc(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000151054094 532306679 /nfs/dbraw/zinc/30/66/79/532306679.db2.gz SZIWIXZRLZBCEH-CZUORRHYSA-N 1 1 384.318 2.400 20 0 GEADMO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000181782061 532306731 /nfs/dbraw/zinc/30/67/31/532306731.db2.gz QRKSQBLDEIVMFB-SJLPKXTDSA-N 1 1 383.897 2.455 20 0 GEADMO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CCCN1CC[NH+](C)CC1 ZINC000182955892 532319844 /nfs/dbraw/zinc/31/98/44/532319844.db2.gz FUTBHBDYKUBGKW-QGZVFWFLSA-N 1 1 398.345 2.233 20 0 GEADMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@H+]1C ZINC000182961906 532320225 /nfs/dbraw/zinc/32/02/25/532320225.db2.gz ZKKVECNAGRPQAG-NWDGAFQWSA-N 1 1 381.420 2.126 20 0 GEADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000183119457 532321857 /nfs/dbraw/zinc/32/18/57/532321857.db2.gz LCRHYRAJHXAMDK-MHECFPHRSA-N 1 1 380.535 2.146 20 0 GEADMO O=C(CC[N@H+]1CCO[C@]2(CCOC2)C1)Nc1ccc(Br)cc1F ZINC000185182690 532337170 /nfs/dbraw/zinc/33/71/70/532337170.db2.gz FBAYJIXIZMQGGP-MRXNPFEDSA-N 1 1 387.249 2.408 20 0 GEADMO C[C@H](C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)N1CC[NH+](C)CC1 ZINC000186207579 532340077 /nfs/dbraw/zinc/34/00/77/532340077.db2.gz PJLAPAHLSWHRNR-CQSZACIVSA-N 1 1 385.339 2.278 20 0 GEADMO C[C@H](C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)N1CC[NH+](C)CC1 ZINC000186671035 532341586 /nfs/dbraw/zinc/34/15/86/532341586.db2.gz QYXNZRXDAQUBCB-NVGVWMPQSA-N 1 1 386.323 2.046 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000186894645 532342495 /nfs/dbraw/zinc/34/24/95/532342495.db2.gz KYWQQDMNXKJDSC-LLVKDONJSA-N 1 1 399.285 2.095 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000186939710 532342680 /nfs/dbraw/zinc/34/26/80/532342680.db2.gz VNIASKVPDMLVBB-NSHDSACASA-N 1 1 395.301 2.243 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000183641636 532326886 /nfs/dbraw/zinc/32/68/86/532326886.db2.gz NLEHSEDLYDSYFH-SECBINFHSA-N 1 1 395.294 2.358 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(F)c(Br)cc1OC)C1CC1 ZINC000183632309 532327146 /nfs/dbraw/zinc/32/71/46/532327146.db2.gz CODUVJUUBCBWMK-UHFFFAOYSA-N 1 1 395.294 2.359 20 0 GEADMO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183915131 532329850 /nfs/dbraw/zinc/32/98/50/532329850.db2.gz OFYUHPVHZJBMCW-SNVBAGLBSA-N 1 1 377.297 2.487 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000184320105 532332014 /nfs/dbraw/zinc/33/20/14/532332014.db2.gz JUSFYJMAPFCJKR-XJKSGUPXSA-N 1 1 396.329 2.067 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000184331622 532332124 /nfs/dbraw/zinc/33/21/24/532332124.db2.gz KOITYVKIXLXSNN-DOMZBBRYSA-N 1 1 380.432 2.264 20 0 GEADMO COc1ccc(Br)c(CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184398165 532332678 /nfs/dbraw/zinc/33/26/78/532332678.db2.gz DTXKNDXIBYQYJN-CQSZACIVSA-N 1 1 398.345 2.142 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000187855602 532345861 /nfs/dbraw/zinc/34/58/61/532345861.db2.gz IHVLHFXPQMHUGE-NSHDSACASA-N 1 1 384.249 2.142 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188125101 532346810 /nfs/dbraw/zinc/34/68/10/532346810.db2.gz JBMMIXDDDDXJEB-LBPRGKRZSA-N 1 1 386.290 2.002 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CC[N@H+]1CC(C)(C)O ZINC000188584505 532348661 /nfs/dbraw/zinc/34/86/61/532348661.db2.gz JYFHHFKSMHIZKB-CYBMUJFWSA-N 1 1 384.318 2.436 20 0 GEADMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000188581715 532348715 /nfs/dbraw/zinc/34/87/15/532348715.db2.gz KPMNHGWJNBNLJR-AWEZNQCLSA-N 1 1 396.333 2.478 20 0 GEADMO C[C@H]1CN(C(=O)COc2cccc(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000188682761 532349088 /nfs/dbraw/zinc/34/90/88/532349088.db2.gz WJDNPFNUCZBDOW-ZDUSSCGKSA-N 1 1 385.302 2.132 20 0 GEADMO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188714255 532349234 /nfs/dbraw/zinc/34/92/34/532349234.db2.gz HVVNSLFTWMXVNW-KGLIPLIRSA-N 1 1 385.302 2.050 20 0 GEADMO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188714255 532349235 /nfs/dbraw/zinc/34/92/35/532349235.db2.gz HVVNSLFTWMXVNW-KGLIPLIRSA-N 1 1 385.302 2.050 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2c(F)cc(Br)cc2F)CC[N@@H+]1CCO ZINC000189037176 532350653 /nfs/dbraw/zinc/35/06/53/532350653.db2.gz JCCDBWLWHREQBF-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2c(F)cc(Br)cc2F)CC[N@H+]1CCO ZINC000189037176 532350654 /nfs/dbraw/zinc/35/06/54/532350654.db2.gz JCCDBWLWHREQBF-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000189421060 532352052 /nfs/dbraw/zinc/35/20/52/532352052.db2.gz MHONUESBALDAQX-CQSZACIVSA-N 1 1 383.334 2.193 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Br ZINC000189406555 532352113 /nfs/dbraw/zinc/35/21/13/532352113.db2.gz DYAITDLNTCFTCQ-ZDUSSCGKSA-N 1 1 384.318 2.165 20 0 GEADMO Cc1ccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000189573430 532352926 /nfs/dbraw/zinc/35/29/26/532352926.db2.gz FXMSPXLOMWTNEM-UONOGXRCSA-N 1 1 384.318 2.083 20 0 GEADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccsc2Cl)cc1 ZINC000189735346 532353379 /nfs/dbraw/zinc/35/33/79/532353379.db2.gz FGBZACHOORDESE-UHFFFAOYSA-N 1 1 380.857 2.479 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000190210216 532355314 /nfs/dbraw/zinc/35/53/14/532355314.db2.gz BZDZDOMOHRFHOM-CDWSIMAYSA-N 1 1 388.249 2.321 20 0 GEADMO C[C@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000190482419 532356231 /nfs/dbraw/zinc/35/62/31/532356231.db2.gz BNOIMDYFJJPZEM-UGFHNGPFSA-N 1 1 380.432 2.405 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000190533951 532356675 /nfs/dbraw/zinc/35/66/75/532356675.db2.gz ZFWSKWQTLAXKGZ-SNVBAGLBSA-N 1 1 392.258 2.156 20 0 GEADMO CN(Cc1ccc(Br)s1)C(=O)NCCC[NH+]1CCOCC1 ZINC000190586991 532357025 /nfs/dbraw/zinc/35/70/25/532357025.db2.gz CIAAXVANCNGYLG-UHFFFAOYSA-N 1 1 376.320 2.374 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[N@@H+](C)C1CC1 ZINC000190837600 532358256 /nfs/dbraw/zinc/35/82/56/532358256.db2.gz PLRAMVJAHUQCTG-QMMMGPOBSA-N 1 1 390.228 2.265 20 0 GEADMO C[C@H]1C[N@H+](CCN2CCN(Cc3ccc(Br)s3)CC2)CCO1 ZINC000191415551 532360874 /nfs/dbraw/zinc/36/08/74/532360874.db2.gz CZPJSUTYJHAFQC-AWEZNQCLSA-N 1 1 388.375 2.349 20 0 GEADMO C[C@H]1C[N@@H+](CCN2CCN(Cc3ccc(Br)s3)CC2)CCO1 ZINC000191415551 532360875 /nfs/dbraw/zinc/36/08/75/532360875.db2.gz CZPJSUTYJHAFQC-AWEZNQCLSA-N 1 1 388.375 2.349 20 0 GEADMO CN1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1=O ZINC000191128627 532359692 /nfs/dbraw/zinc/35/96/92/532359692.db2.gz BHFLWBHORNFFPY-LBPRGKRZSA-N 1 1 391.693 2.006 20 0 GEADMO CN1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1=O ZINC000191128627 532359693 /nfs/dbraw/zinc/35/96/93/532359693.db2.gz BHFLWBHORNFFPY-LBPRGKRZSA-N 1 1 391.693 2.006 20 0 GEADMO C[C@@H]1COCC[N@@H+]1CCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000191430566 532360885 /nfs/dbraw/zinc/36/08/85/532360885.db2.gz ZXUUZAPIIXHGFH-CQSZACIVSA-N 1 1 386.323 2.472 20 0 GEADMO C[C@@H]1COCC[N@H+]1CCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000191430566 532360886 /nfs/dbraw/zinc/36/08/86/532360886.db2.gz ZXUUZAPIIXHGFH-CQSZACIVSA-N 1 1 386.323 2.472 20 0 GEADMO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(Br)o3)CC2)cn1 ZINC000191297634 532360375 /nfs/dbraw/zinc/36/03/75/532360375.db2.gz UFOVKNPJKHYJOC-UHFFFAOYSA-N 1 1 381.274 2.418 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000187371554 532344195 /nfs/dbraw/zinc/34/41/95/532344195.db2.gz UJOGMVAWACFFKQ-GFCCVEGCSA-N 1 1 390.297 2.133 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000187386585 532344353 /nfs/dbraw/zinc/34/43/53/532344353.db2.gz NWLUEFBXCCBXIB-LBPRGKRZSA-N 1 1 387.311 2.074 20 0 GEADMO CC[N@H+](CCO)CCNCc1cc(Br)cc(Br)c1N ZINC000187570680 532344799 /nfs/dbraw/zinc/34/47/99/532344799.db2.gz TUMKIEJCSSRKMI-UHFFFAOYSA-N 1 1 395.139 2.198 20 0 GEADMO CC[N@@H+](CCO)CCNCc1cc(Br)cc(Br)c1N ZINC000187570680 532344800 /nfs/dbraw/zinc/34/48/00/532344800.db2.gz TUMKIEJCSSRKMI-UHFFFAOYSA-N 1 1 395.139 2.198 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000187686468 532345183 /nfs/dbraw/zinc/34/51/83/532345183.db2.gz KTQISHUYAUCBKV-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000187686468 532345184 /nfs/dbraw/zinc/34/51/84/532345184.db2.gz KTQISHUYAUCBKV-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000463457900 532374569 /nfs/dbraw/zinc/37/45/69/532374569.db2.gz WXQLTRIZTJFTOO-GJZGRUSLSA-N 1 1 384.249 2.471 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCN(C)CC1 ZINC000294668272 532375172 /nfs/dbraw/zinc/37/51/72/532375172.db2.gz DFTMFENXRGFMFR-LBPRGKRZSA-N 1 1 384.318 2.146 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000191932372 532376055 /nfs/dbraw/zinc/37/60/55/532376055.db2.gz NPCCCKXCWMKYNR-UHFFFAOYSA-N 1 1 390.272 2.485 20 0 GEADMO Cc1cnc(NC[C@H](C)C[NH+]2CCOCC2)c(I)c1 ZINC000425224967 532376686 /nfs/dbraw/zinc/37/66/86/532376686.db2.gz FEBNEDVUVRVGJQ-LBPRGKRZSA-N 1 1 375.254 2.375 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425224947 532376739 /nfs/dbraw/zinc/37/67/39/532376739.db2.gz CQFOFWJWVZKGGT-UHFFFAOYSA-N 1 1 375.966 2.028 20 0 GEADMO CN(CCCN(C)S(=O)(=O)CCc1ccc(Cl)cc1)CC[NH+](C)C ZINC000425224947 532376745 /nfs/dbraw/zinc/37/67/45/532376745.db2.gz CQFOFWJWVZKGGT-UHFFFAOYSA-N 1 1 375.966 2.028 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000677541663 532376982 /nfs/dbraw/zinc/37/69/82/532376982.db2.gz SLYNKKDRGLQCSV-ZFWWWQNUSA-N 1 1 383.286 2.152 20 0 GEADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc(Br)c[nH]c1=O ZINC000622061374 532377314 /nfs/dbraw/zinc/37/73/14/532377314.db2.gz FQTCESFMJVXGPW-AWEZNQCLSA-N 1 1 392.253 2.369 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)s1 ZINC000557860543 532377542 /nfs/dbraw/zinc/37/75/42/532377542.db2.gz BLKKLFUFEKIAJH-ZDUSSCGKSA-N 1 1 386.470 2.255 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000191969084 532377497 /nfs/dbraw/zinc/37/74/97/532377497.db2.gz BHDCBXIEXQKVGM-LLVKDONJSA-N 1 1 386.265 2.293 20 0 GEADMO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000278408094 532378691 /nfs/dbraw/zinc/37/86/91/532378691.db2.gz GRNOIEGDEDTTBA-NSHDSACASA-N 1 1 380.457 2.163 20 0 GEADMO CC(C)[C@@H](CNC(=O)Cc1cscc1Br)N1CC[NH+](C)CC1 ZINC000294723034 532377803 /nfs/dbraw/zinc/37/78/03/532377803.db2.gz KEIFWOFGKCCRLY-OAHLLOKOSA-N 1 1 388.375 2.441 20 0 GEADMO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677566633 532377842 /nfs/dbraw/zinc/37/78/42/532377842.db2.gz SUXZNWDLEOMHRH-OAHLLOKOSA-N 1 1 385.277 2.454 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191431400 532360911 /nfs/dbraw/zinc/36/09/11/532360911.db2.gz DDZXOFPVWVQDAB-ZDUSSCGKSA-N 1 1 382.302 2.478 20 0 GEADMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696674 532362377 /nfs/dbraw/zinc/36/23/77/532362377.db2.gz QFNCQTJNPNYKFL-ZDUSSCGKSA-N 1 1 384.318 2.100 20 0 GEADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCn1cc(Br)cn1 ZINC000647028731 532365451 /nfs/dbraw/zinc/36/54/51/532365451.db2.gz FLDMYEYQNBJYSM-HNNXBMFYSA-N 1 1 393.285 2.217 20 0 GEADMO CCn1ncc(Cl)c1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000621720853 532366943 /nfs/dbraw/zinc/36/69/43/532366943.db2.gz REKWRLFREZYIEV-UHFFFAOYSA-N 1 1 382.814 2.283 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000677191615 532367431 /nfs/dbraw/zinc/36/74/31/532367431.db2.gz ILMMODXAGZDIKI-CZUORRHYSA-N 1 1 394.313 2.355 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000677196747 532367704 /nfs/dbraw/zinc/36/77/04/532367704.db2.gz VEMQFXWDYWFXPQ-XJKSGUPXSA-N 1 1 381.929 2.408 20 0 GEADMO CC[N@H+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H]1C ZINC000677193024 532368216 /nfs/dbraw/zinc/36/82/16/532368216.db2.gz UPAFVNOXLSUKRD-HNNXBMFYSA-N 1 1 398.345 2.312 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190430 532369130 /nfs/dbraw/zinc/36/91/30/532369130.db2.gz DANVZYOAKHQJPD-TZMCWYRMSA-N 1 1 399.285 2.436 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190430 532369132 /nfs/dbraw/zinc/36/91/32/532369132.db2.gz DANVZYOAKHQJPD-TZMCWYRMSA-N 1 1 399.285 2.436 20 0 GEADMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294585825 532369220 /nfs/dbraw/zinc/36/92/20/532369220.db2.gz YXKLWKUQRRESQW-UHFFFAOYSA-N 1 1 393.694 2.371 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372058751 532370169 /nfs/dbraw/zinc/37/01/69/532370169.db2.gz USFILNWFXSANLI-CJNGLKHVSA-N 1 1 389.924 2.126 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc(I)cc21)C1CC1 ZINC000463264981 532371936 /nfs/dbraw/zinc/37/19/36/532371936.db2.gz IBVBNHQVYXFSQB-ZDUSSCGKSA-N 1 1 398.248 2.238 20 0 GEADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000294744665 532379464 /nfs/dbraw/zinc/37/94/64/532379464.db2.gz VJXVPZCHVRGXNX-IAQYHMDHSA-N 1 1 380.286 2.458 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)CCn1cccn1 ZINC000294737482 532379540 /nfs/dbraw/zinc/37/95/40/532379540.db2.gz HGGBSHRSHTXNMS-ZDUSSCGKSA-N 1 1 395.301 2.291 20 0 GEADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706687 532381049 /nfs/dbraw/zinc/38/10/49/532381049.db2.gz OSZJMTCQSHJIQJ-YUELXQCFSA-N 1 1 399.304 2.434 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000647709424 532381459 /nfs/dbraw/zinc/38/14/59/532381459.db2.gz WKBNJCGNJOJVEA-GJZGRUSLSA-N 1 1 397.313 2.194 20 0 GEADMO O=C(CNC(=O)C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1Br ZINC000677736343 532382680 /nfs/dbraw/zinc/38/26/80/532382680.db2.gz NWXQXSYLRQZLSW-SNVBAGLBSA-N 1 1 390.228 2.091 20 0 GEADMO O=C(CNC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1Br ZINC000677736343 532382685 /nfs/dbraw/zinc/38/26/85/532382685.db2.gz NWXQXSYLRQZLSW-SNVBAGLBSA-N 1 1 390.228 2.091 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677849107 532383580 /nfs/dbraw/zinc/38/35/80/532383580.db2.gz VHSZGOJJEBBROW-DYVFJYSZSA-N 1 1 389.924 2.126 20 0 GEADMO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000516318665 532384271 /nfs/dbraw/zinc/38/42/71/532384271.db2.gz SHCQOOIDFGFIPW-QWHCGFSZSA-N 1 1 396.336 2.490 20 0 GEADMO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000516318665 532384278 /nfs/dbraw/zinc/38/42/78/532384278.db2.gz SHCQOOIDFGFIPW-QWHCGFSZSA-N 1 1 396.336 2.490 20 0 GEADMO CC(C)[C@@H](CNC(=O)Nc1cc(Br)ccn1)N1CC[NH+](C)CC1 ZINC000278531288 532384430 /nfs/dbraw/zinc/38/44/30/532384430.db2.gz FBMXEKNIDPHMIJ-CQSZACIVSA-N 1 1 384.322 2.238 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000425388002 532384975 /nfs/dbraw/zinc/38/49/75/532384975.db2.gz VSIXHMVASYPJKD-UHFFFAOYSA-N 1 1 379.551 2.316 20 0 GEADMO CC(=O)NCC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000558157034 532387130 /nfs/dbraw/zinc/38/71/30/532387130.db2.gz NPSIFYWZLXHWAR-NVXWUHKLSA-N 1 1 399.329 2.427 20 0 GEADMO Cc1cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)ncc1Br ZINC000623378640 532387588 /nfs/dbraw/zinc/38/75/88/532387588.db2.gz JTMAFXIDEFNJTE-UHFFFAOYSA-N 1 1 398.326 2.362 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000372392526 532388553 /nfs/dbraw/zinc/38/85/53/532388553.db2.gz BURIGTUFYNIAHC-YOEHRIQHSA-N 1 1 380.901 2.444 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)C1 ZINC000372379508 532388978 /nfs/dbraw/zinc/38/89/78/532388978.db2.gz ZKJLICBQNIZIHM-INIZCTEOSA-N 1 1 398.320 2.369 20 0 GEADMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000558425052 532389611 /nfs/dbraw/zinc/38/96/11/532389611.db2.gz NTXODSKNOUNBAH-LLVKDONJSA-N 1 1 382.452 2.311 20 0 GEADMO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ncc1Br ZINC000623436131 532389972 /nfs/dbraw/zinc/38/99/72/532389972.db2.gz GEENOWOOCJFPMK-IAQYHMDHSA-N 1 1 378.274 2.170 20 0 GEADMO Cc1nc(-c2ccc(CNC(=O)N3CC[NH+](C[C@H](C)O)CC3)s2)cs1 ZINC000558388240 532390023 /nfs/dbraw/zinc/39/00/23/532390023.db2.gz CFEFXNLZWCEGAK-LBPRGKRZSA-N 1 1 380.539 2.388 20 0 GEADMO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279191921 532390414 /nfs/dbraw/zinc/39/04/14/532390414.db2.gz HDOVKBVNPHTVKC-RHSMWYFYSA-N 1 1 381.314 2.343 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000516847790 532392221 /nfs/dbraw/zinc/39/22/21/532392221.db2.gz KWNZLWJFJBVMPW-KGLIPLIRSA-N 1 1 398.345 2.394 20 0 GEADMO CCOC(=O)CC1(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000516848463 532392347 /nfs/dbraw/zinc/39/23/47/532392347.db2.gz ZZJOYTUALLTICT-OAHLLOKOSA-N 1 1 388.917 2.348 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000516847792 532393109 /nfs/dbraw/zinc/39/31/09/532393109.db2.gz KWNZLWJFJBVMPW-ZIAGYGMSSA-N 1 1 398.345 2.394 20 0 GEADMO CCOC(=O)CC1(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000516848462 532393418 /nfs/dbraw/zinc/39/34/18/532393418.db2.gz ZZJOYTUALLTICT-HNNXBMFYSA-N 1 1 388.917 2.348 20 0 GEADMO Ic1ccc(N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000558521471 532393413 /nfs/dbraw/zinc/39/34/13/532393413.db2.gz YURANZDJVRKYPY-UHFFFAOYSA-N 1 1 380.233 2.403 20 0 GEADMO Cc1ccc(NC(=O)C[N@H+]2CCSCC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000279272534 532393644 /nfs/dbraw/zinc/39/36/44/532393644.db2.gz NPIGAOXGMBDABK-CQSZACIVSA-N 1 1 385.555 2.011 20 0 GEADMO Cc1ccc(NC(=O)C[N@@H+]2CCSCC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000279272534 532393651 /nfs/dbraw/zinc/39/36/51/532393651.db2.gz NPIGAOXGMBDABK-CQSZACIVSA-N 1 1 385.555 2.011 20 0 GEADMO O=C(CCCC[NH+]1CCOCC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000678400112 532394654 /nfs/dbraw/zinc/39/46/54/532394654.db2.gz SNQKFPQTELANSR-MRXNPFEDSA-N 1 1 385.302 2.101 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000372517215 532395051 /nfs/dbraw/zinc/39/50/51/532395051.db2.gz UCGLCHWEBMICAK-UHFFFAOYSA-N 1 1 388.295 2.237 20 0 GEADMO COc1ccc(Br)cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000558668052 532395171 /nfs/dbraw/zinc/39/51/71/532395171.db2.gz DEIDQYFRTKECKL-UHFFFAOYSA-N 1 1 384.318 2.214 20 0 GEADMO Cc1c(Br)cccc1NC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000372618615 532398566 /nfs/dbraw/zinc/39/85/66/532398566.db2.gz ZKWWSCHQLSYOPW-UHFFFAOYSA-N 1 1 397.317 2.385 20 0 GEADMO Cc1c(Br)cccc1NC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000372618615 532398572 /nfs/dbraw/zinc/39/85/72/532398572.db2.gz ZKWWSCHQLSYOPW-UHFFFAOYSA-N 1 1 397.317 2.385 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678631080 532398883 /nfs/dbraw/zinc/39/88/83/532398883.db2.gz XQGQPKOBGFVHCQ-UONOGXRCSA-N 1 1 375.296 2.140 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1CCO ZINC000192280217 532399646 /nfs/dbraw/zinc/39/96/46/532399646.db2.gz WWGXCEFWTWERFW-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)CC[N@H+]1CCO ZINC000192280217 532399652 /nfs/dbraw/zinc/39/96/52/532399652.db2.gz WWGXCEFWTWERFW-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000678627705 532399267 /nfs/dbraw/zinc/39/92/67/532399267.db2.gz DXIALVFHMXPYGP-CYBMUJFWSA-N 1 1 378.523 2.217 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000295107858 532403608 /nfs/dbraw/zinc/40/36/08/532403608.db2.gz UNXMFHNGEOWBJR-MRXNPFEDSA-N 1 1 382.258 2.108 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000295107858 532403613 /nfs/dbraw/zinc/40/36/13/532403613.db2.gz UNXMFHNGEOWBJR-MRXNPFEDSA-N 1 1 382.258 2.108 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648834391 532402396 /nfs/dbraw/zinc/40/23/96/532402396.db2.gz AONFHIJWQWYHHE-NSHDSACASA-N 1 1 389.265 2.126 20 0 GEADMO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679472983 532405949 /nfs/dbraw/zinc/40/59/49/532405949.db2.gz MMJTXRMRYYONSC-JKSUJKDBSA-N 1 1 393.336 2.354 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]2C1 ZINC000192526514 532404188 /nfs/dbraw/zinc/40/41/88/532404188.db2.gz LWKDXICZVGEDOT-BETUJISGSA-N 1 1 375.270 2.268 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464797948 532404286 /nfs/dbraw/zinc/40/42/86/532404286.db2.gz HGHVTDLWPAIFSZ-GOSISDBHSA-N 1 1 394.313 2.010 20 0 GEADMO Cc1ccc(OCCC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000372729867 532405167 /nfs/dbraw/zinc/40/51/67/532405167.db2.gz VQSGJAORUSEHHA-OAHLLOKOSA-N 1 1 399.329 2.442 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000464759824 532405202 /nfs/dbraw/zinc/40/52/02/532405202.db2.gz YYNJRCCDYOAIRO-FATZIPQQSA-N 1 1 379.353 2.490 20 0 GEADMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@H](CS(C)(=O)=O)C2CC2)cc1 ZINC000559753984 532405265 /nfs/dbraw/zinc/40/52/65/532405265.db2.gz SDJDXRUOELFJDL-QGZVFWFLSA-N 1 1 387.567 2.171 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464797949 532405605 /nfs/dbraw/zinc/40/56/05/532405605.db2.gz HGHVTDLWPAIFSZ-SFHVURJKSA-N 1 1 394.313 2.010 20 0 GEADMO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000372749712 532405616 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GEADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000371454190 532948236 /nfs/dbraw/zinc/94/82/36/532948236.db2.gz FRCBNMYECOUSOA-CYBMUJFWSA-N 1 1 377.293 2.393 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000371054623 532946864 /nfs/dbraw/zinc/94/68/64/532946864.db2.gz NUKFZQBKCLKBQT-HNNXBMFYSA-N 1 1 389.924 2.021 20 0 GEADMO CN(C)c1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)ccn1 ZINC000583616021 570801256 /nfs/dbraw/zinc/80/12/56/570801256.db2.gz DJNXCXNSUDVRFB-SFHVURJKSA-N 1 1 384.528 2.083 20 0 GEADMO CCOC[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736611553 598852954 /nfs/dbraw/zinc/85/29/54/598852954.db2.gz RXSFUQGCBJOUGU-OAHLLOKOSA-N 1 1 382.472 2.140 20 0 GEADMO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000736900216 598862039 /nfs/dbraw/zinc/86/20/39/598862039.db2.gz DEDMDQZUJTWODC-GOSISDBHSA-N 1 1 386.500 2.133 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265773 598867908 /nfs/dbraw/zinc/86/79/08/598867908.db2.gz CTQGZSJFFWARID-IAGOWNOFSA-N 1 1 397.527 2.392 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736269591 598871336 /nfs/dbraw/zinc/87/13/36/598871336.db2.gz XQNWXKCHQYKVOD-DLBZAZTESA-N 1 1 397.527 2.392 20 0 GEADMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736379772 598915311 /nfs/dbraw/zinc/91/53/11/598915311.db2.gz DHCRWABWDQBVLJ-CABCVRRESA-N 1 1 378.864 2.084 20 0 GEADMO OC[C@@]1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000738392417 598917666 /nfs/dbraw/zinc/91/76/66/598917666.db2.gz DATRQGIRIIOOHC-OAQYLSRUSA-N 1 1 396.470 2.123 20 0 GEADMO OC[C@@]1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000738392417 598917668 /nfs/dbraw/zinc/91/76/68/598917668.db2.gz DATRQGIRIIOOHC-OAQYLSRUSA-N 1 1 396.470 2.123 20 0 GEADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737100026 598961131 /nfs/dbraw/zinc/96/11/31/598961131.db2.gz SVGQQMHVCIWQIE-YVEFUNNKSA-N 1 1 396.426 2.471 20 0 GEADMO CCC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736471787 598989603 /nfs/dbraw/zinc/98/96/03/598989603.db2.gz WJYAQLJJKYZNRJ-KCPJHIHWSA-N 1 1 390.513 2.392 20 0 GEADMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564748 598991458 /nfs/dbraw/zinc/99/14/58/598991458.db2.gz DKKQUCKOKNJKSB-CHWSQXEVSA-N 1 1 377.518 2.061 20 0 GEADMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736564748 598991460 /nfs/dbraw/zinc/99/14/60/598991460.db2.gz DKKQUCKOKNJKSB-CHWSQXEVSA-N 1 1 377.518 2.061 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736565515 598991610 /nfs/dbraw/zinc/99/16/10/598991610.db2.gz LFMRSULXJXSUEK-GXTWGEPZSA-N 1 1 391.907 2.263 20 0 GEADMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1(C)C ZINC000736615881 598991890 /nfs/dbraw/zinc/99/18/90/598991890.db2.gz YSGPLSARVFTURB-DLBZAZTESA-N 1 1 375.473 2.390 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000669629158 599007328 /nfs/dbraw/zinc/00/73/28/599007328.db2.gz FUVGNUXGWABNIO-NEPJUHHUSA-N 1 1 398.920 2.013 20 0 GEADMO C[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736154165 599017538 /nfs/dbraw/zinc/01/75/38/599017538.db2.gz TXKZPXAWILDZLH-UONOGXRCSA-N 1 1 386.456 2.001 20 0 GEADMO C[N@H+]1CCCN(C(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736859691 599018472 /nfs/dbraw/zinc/01/84/72/599018472.db2.gz HFMKNNUIACCKKY-UHFFFAOYSA-N 1 1 392.463 2.223 20 0 GEADMO CN(C)c1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736780311 599030841 /nfs/dbraw/zinc/03/08/41/599030841.db2.gz PSIFAGPISLWSDR-UHFFFAOYSA-N 1 1 381.459 2.394 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000736615052 599063202 /nfs/dbraw/zinc/06/32/02/599063202.db2.gz KJDRWULCSQDFPZ-IUODEOHRSA-N 1 1 379.896 2.464 20 0 GEADMO Fc1cccc(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000737661011 599077425 /nfs/dbraw/zinc/07/74/25/599077425.db2.gz MMCNQFQFGZUMFE-UHFFFAOYSA-N 1 1 386.406 2.346 20 0 GEADMO COC1CCC([N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736959831 599080293 /nfs/dbraw/zinc/08/02/93/599080293.db2.gz AOTBHVCPPZQAAX-UHFFFAOYSA-N 1 1 378.864 2.348 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000821614588 599081388 /nfs/dbraw/zinc/08/13/88/599081388.db2.gz MKOPJSJSTIDFAD-KRWDZBQOSA-N 1 1 375.480 2.461 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[C@@H]1c1cccs1 ZINC000736856738 599085016 /nfs/dbraw/zinc/08/50/16/599085016.db2.gz MNOPVDHJBMHJKX-MLGOLLRUSA-N 1 1 383.481 2.136 20 0 GEADMO Cc1cccc2c(NCCC(=O)NC3CCCCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737408690 599124925 /nfs/dbraw/zinc/12/49/25/599124925.db2.gz KEAIDGQJCWOOAH-UHFFFAOYSA-N 1 1 379.468 2.396 20 0 GEADMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000819857885 599134879 /nfs/dbraw/zinc/13/48/79/599134879.db2.gz WJIRCPZRPSEASK-GFCCVEGCSA-N 1 1 382.390 2.099 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736170103 599219677 /nfs/dbraw/zinc/21/96/77/599219677.db2.gz RRVFUZYCRJJGMW-DNVCBOLYSA-N 1 1 393.447 2.452 20 0 GEADMO O=C(COc1ccc(-c2nn[nH]n2)cc1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000737919571 599221610 /nfs/dbraw/zinc/22/16/10/599221610.db2.gz VNTFLKDSKUHHDR-GOSISDBHSA-N 1 1 379.420 2.063 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736295388 599230718 /nfs/dbraw/zinc/23/07/18/599230718.db2.gz USZHZPHTPXYOFW-YJBOKZPZSA-N 1 1 378.484 2.246 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000737546070 599228036 /nfs/dbraw/zinc/22/80/36/599228036.db2.gz CBZFFVXQWACPAK-UKRRQHHQSA-N 1 1 395.467 2.258 20 0 GEADMO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209620 607307183 /nfs/dbraw/zinc/30/71/83/607307183.db2.gz PUSHSLQWLKDQFJ-XJKSGUPXSA-N 1 1 392.467 2.107 20 0 GEADMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209620 607307184 /nfs/dbraw/zinc/30/71/84/607307184.db2.gz PUSHSLQWLKDQFJ-XJKSGUPXSA-N 1 1 392.467 2.107 20 0 GEADMO CC[N@H+](c1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1)C(C)C ZINC000821239458 607308154 /nfs/dbraw/zinc/30/81/54/607308154.db2.gz BNERWZCFIMFOBK-AWEZNQCLSA-N 1 1 381.488 2.452 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000822858568 607316404 /nfs/dbraw/zinc/31/64/04/607316404.db2.gz BJRREWZMSPNPKC-CQSZACIVSA-N 1 1 397.508 2.238 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738388966 599272213 /nfs/dbraw/zinc/27/22/13/599272213.db2.gz UTJLUILMZKVPRZ-HKUYNNGSSA-N 1 1 397.504 2.397 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@H+]1C ZINC000820658853 599276454 /nfs/dbraw/zinc/27/64/54/599276454.db2.gz VBJGJZKRXMBDKT-ONGXEEELSA-N 1 1 381.387 2.072 20 0 GEADMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736292961 599280399 /nfs/dbraw/zinc/28/03/99/599280399.db2.gz SAABXJJUNHFGFP-CQSZACIVSA-N 1 1 378.436 2.435 20 0 GEADMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@H+]1C ZINC000736292961 599280403 /nfs/dbraw/zinc/28/04/03/599280403.db2.gz SAABXJJUNHFGFP-CQSZACIVSA-N 1 1 378.436 2.435 20 0 GEADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569334 598237862 /nfs/dbraw/zinc/23/78/62/598237862.db2.gz GDSKSUQPTAOYOA-SFHVURJKSA-N 1 1 384.484 2.111 20 0 GEADMO O=[S@@](CC[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738358487 598246821 /nfs/dbraw/zinc/24/68/21/598246821.db2.gz VWSHTGHPXJHMQP-NDEPHWFRSA-N 1 1 396.520 2.187 20 0 GEADMO CCCN(CCC)C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736473130 598248934 /nfs/dbraw/zinc/24/89/34/598248934.db2.gz HIELLXMEPSIGFI-UHFFFAOYSA-N 1 1 386.500 2.359 20 0 GEADMO O[C@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(F)cc1F ZINC000738381803 598251643 /nfs/dbraw/zinc/25/16/43/598251643.db2.gz MXOXGBLCPQNCKM-GOSISDBHSA-N 1 1 386.406 2.001 20 0 GEADMO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737328499 598258547 /nfs/dbraw/zinc/25/85/47/598258547.db2.gz DFMLCKXVLOPHBY-UHFFFAOYSA-N 1 1 376.464 2.062 20 0 GEADMO C[C@H](C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736236463 598285044 /nfs/dbraw/zinc/28/50/44/598285044.db2.gz JZBMWJHBCSETIJ-IXDOHACOSA-N 1 1 397.527 2.167 20 0 GEADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736417644 598300421 /nfs/dbraw/zinc/30/04/21/598300421.db2.gz UFTOBCKBHWTQGZ-HNNXBMFYSA-N 1 1 381.484 2.248 20 0 GEADMO C[N@@H+](CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736800475 598317722 /nfs/dbraw/zinc/31/77/22/598317722.db2.gz KPZDOKSHFULAIU-UHFFFAOYSA-N 1 1 389.479 2.460 20 0 GEADMO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738410238 598321138 /nfs/dbraw/zinc/32/11/38/598321138.db2.gz XHQRANNKMDCEHO-KGLIPLIRSA-N 1 1 377.905 2.433 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736265845 598325310 /nfs/dbraw/zinc/32/53/10/598325310.db2.gz DJOJNDMBPPLBFA-CYBMUJFWSA-N 1 1 375.452 2.070 20 0 GEADMO CCCC[N@@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H](C)CC ZINC000736457085 598334313 /nfs/dbraw/zinc/33/43/13/598334313.db2.gz NPFLOEWNIYHCBN-HNNXBMFYSA-N 1 1 399.499 2.489 20 0 GEADMO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3cc(-c4nn[nH]n4)ccc3F)C2)nn1 ZINC000737351209 598341102 /nfs/dbraw/zinc/34/11/02/598341102.db2.gz KSVMKMIXZBJICG-INIZCTEOSA-N 1 1 382.447 2.205 20 0 GEADMO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353404 598341582 /nfs/dbraw/zinc/34/15/82/598341582.db2.gz WFDMXSCTNVPIFA-INIZCTEOSA-N 1 1 382.447 2.205 20 0 GEADMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500941 598347183 /nfs/dbraw/zinc/34/71/83/598347183.db2.gz FUSIWTLJWOYHAS-HNNXBMFYSA-N 1 1 383.481 2.327 20 0 GEADMO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736286812 598366161 /nfs/dbraw/zinc/36/61/61/598366161.db2.gz NTQRHXJPGMKHTM-JXFKEZNVSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736286812 598366163 /nfs/dbraw/zinc/36/61/63/598366163.db2.gz NTQRHXJPGMKHTM-JXFKEZNVSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736286812 598366165 /nfs/dbraw/zinc/36/61/65/598366165.db2.gz NTQRHXJPGMKHTM-JXFKEZNVSA-N 1 1 378.480 2.106 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CC2)oc1C ZINC000737478959 598367634 /nfs/dbraw/zinc/36/76/34/598367634.db2.gz XNTOGQCDXHMXCH-UHFFFAOYSA-N 1 1 397.483 2.058 20 0 GEADMO c1coc(-c2cc(CN3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)no2)c1 ZINC000738447534 598432141 /nfs/dbraw/zinc/43/21/41/598432141.db2.gz GLMIYMKJFZZCFD-UHFFFAOYSA-N 1 1 391.435 2.433 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736268541 598477544 /nfs/dbraw/zinc/47/75/44/598477544.db2.gz XWUUQRYIFMMXDR-HNNXBMFYSA-N 1 1 383.500 2.273 20 0 GEADMO COc1cc2[nH+]c(N(C)Cc3cccc(-c4nn[nH]n4)c3)nc(N)c2cc1OC ZINC000737055104 598507969 /nfs/dbraw/zinc/50/79/69/598507969.db2.gz HQIBFTDUDGSGJU-UHFFFAOYSA-N 1 1 392.423 2.046 20 0 GEADMO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(Cc2noc3c2CCCC3)CC1 ZINC000738413382 598538551 /nfs/dbraw/zinc/53/85/51/598538551.db2.gz UYBCSANYBNBOIT-UHFFFAOYSA-N 1 1 379.468 2.051 20 0 GEADMO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736267506 598594775 /nfs/dbraw/zinc/59/47/75/598594775.db2.gz SQLANFQYTPSNJW-GJYPPUQNSA-N 1 1 397.527 2.072 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736265642 598595783 /nfs/dbraw/zinc/59/57/83/598595783.db2.gz KPUFLFHIEZFICJ-GJYPPUQNSA-N 1 1 397.527 2.072 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000737545955 598614076 /nfs/dbraw/zinc/61/40/76/598614076.db2.gz AHIWXMZBOKOPFI-LSDHHAIUSA-N 1 1 395.467 2.258 20 0 GEADMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738075969 598625261 /nfs/dbraw/zinc/62/52/61/598625261.db2.gz TXYABLCZXANGOZ-UHFFFAOYSA-N 1 1 381.415 2.186 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000736170292 598666278 /nfs/dbraw/zinc/66/62/78/598666278.db2.gz PBFCJVQDFCFQDG-JKSUJKDBSA-N 1 1 394.479 2.271 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736268274 598682781 /nfs/dbraw/zinc/68/27/81/598682781.db2.gz RXCXWQRICYGAAJ-INIZCTEOSA-N 1 1 386.500 2.406 20 0 GEADMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736871454 598705236 /nfs/dbraw/zinc/70/52/36/598705236.db2.gz UPIOSCSWBWKNCT-KRWDZBQOSA-N 1 1 376.464 2.492 20 0 GEADMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)no1 ZINC000737471217 598716816 /nfs/dbraw/zinc/71/68/16/598716816.db2.gz FOCQJGKPJFCITN-CQSZACIVSA-N 1 1 378.440 2.266 20 0 GEADMO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738392320 598756616 /nfs/dbraw/zinc/75/66/16/598756616.db2.gz AYGPBYFNSDLJTH-IBGZPJMESA-N 1 1 398.898 2.371 20 0 GEADMO O=C1[C@@H]([NH+]2CCC(c3nccs3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292362 598761691 /nfs/dbraw/zinc/76/16/91/598761691.db2.gz ZPKOEFMYRYMRCT-INIZCTEOSA-N 1 1 395.492 2.308 20 0 GEADMO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736225874 598766152 /nfs/dbraw/zinc/76/61/52/598766152.db2.gz SWLRROCDJGTWSH-HOTGVXAUSA-N 1 1 398.511 2.214 20 0 GEADMO CCCCCCNC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736447920 598766688 /nfs/dbraw/zinc/76/66/88/598766688.db2.gz UQLQWGGCIKSARW-UHFFFAOYSA-N 1 1 386.500 2.406 20 0 GEADMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736273001 598766700 /nfs/dbraw/zinc/76/67/00/598766700.db2.gz QRNGNWMWPBCHRP-DNVCBOLYSA-N 1 1 398.511 2.405 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000736453963 598767680 /nfs/dbraw/zinc/76/76/80/598767680.db2.gz VFKIUMPZGQIVJV-UHFFFAOYSA-N 1 1 389.529 2.323 20 0 GEADMO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736802349 598775426 /nfs/dbraw/zinc/77/54/26/598775426.db2.gz QFXJHYHTEPFGSE-SFHVURJKSA-N 1 1 396.426 2.122 20 0 GEADMO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736802349 598775427 /nfs/dbraw/zinc/77/54/27/598775427.db2.gz QFXJHYHTEPFGSE-SFHVURJKSA-N 1 1 396.426 2.122 20 0 GEADMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736973967 598820581 /nfs/dbraw/zinc/82/05/81/598820581.db2.gz VUYOPDRHZYDPDL-GFCCVEGCSA-N 1 1 390.513 2.104 20 0 GEADMO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[NH+](C2CC2)CC1 ZINC000823303678 599293001 /nfs/dbraw/zinc/29/30/01/599293001.db2.gz QRSBZNKEIAKBGS-UHFFFAOYSA-N 1 1 381.362 2.197 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737066444 599309674 /nfs/dbraw/zinc/30/96/74/599309674.db2.gz ODHWMQNKYSZGEF-HNNXBMFYSA-N 1 1 392.463 2.394 20 0 GEADMO C[C@H]1CC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684085 599311094 /nfs/dbraw/zinc/31/10/94/599311094.db2.gz LWVPQBPBUJWLLM-LPHOPBHVSA-N 1 1 398.511 2.249 20 0 GEADMO COc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1OC ZINC000821794421 599311481 /nfs/dbraw/zinc/31/14/81/599311481.db2.gz GNHLRIDFJCKSKP-UHFFFAOYSA-N 1 1 380.452 2.206 20 0 GEADMO CC[C@]1(C)CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950130 599329288 /nfs/dbraw/zinc/32/92/88/599329288.db2.gz JYPHEWYDEUNFPI-HXUWFJFHSA-N 1 1 397.483 2.101 20 0 GEADMO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000821417589 599396044 /nfs/dbraw/zinc/39/60/44/599396044.db2.gz PCJAMVQVMAKLJM-UHFFFAOYSA-N 1 1 396.451 2.253 20 0 GEADMO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)COc1cccc(C(F)(F)F)c1 ZINC000823689337 599415243 /nfs/dbraw/zinc/41/52/43/599415243.db2.gz DYXBFXAWLMKFKA-NSHDSACASA-N 1 1 383.330 2.008 20 0 GEADMO COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000821794487 599419609 /nfs/dbraw/zinc/41/96/09/599419609.db2.gz IPVUQMYGUYAPFZ-UHFFFAOYSA-N 1 1 382.468 2.470 20 0 GEADMO Cc1ccc(NCCCNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)[nH+]c1 ZINC000822254322 599442908 /nfs/dbraw/zinc/44/29/08/599442908.db2.gz GXYHIDSGDXJACV-CQSZACIVSA-N 1 1 380.456 2.433 20 0 GEADMO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000822736281 599443547 /nfs/dbraw/zinc/44/35/47/599443547.db2.gz CMOQZNYSWGUAPM-NSHDSACASA-N 1 1 376.367 2.430 20 0 GEADMO Cc1c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(=O)n(-c2ccccc2)n1C ZINC000822027345 599459145 /nfs/dbraw/zinc/45/91/45/599459145.db2.gz GKWLBNHUGHWRRO-UHFFFAOYSA-N 1 1 393.426 2.093 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCCOC[C@H]3CCCO3)c2c1 ZINC000822195551 599467620 /nfs/dbraw/zinc/46/76/20/599467620.db2.gz VXYYIUXJSFQXHP-OAHLLOKOSA-N 1 1 382.468 2.451 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000736480762 599492502 /nfs/dbraw/zinc/49/25/02/599492502.db2.gz NDWPYMOMHSTMQD-SFHVURJKSA-N 1 1 383.500 2.273 20 0 GEADMO O=C(N[C@H]1CC=CCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024017 599507183 /nfs/dbraw/zinc/50/71/83/599507183.db2.gz XBQUFVVWTVDITA-SFHVURJKSA-N 1 1 381.484 2.193 20 0 GEADMO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000820768612 599530615 /nfs/dbraw/zinc/53/06/15/599530615.db2.gz OTTVOOVISKBOMS-LIRRHRJNSA-N 1 1 382.443 2.250 20 0 GEADMO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC[N@H+]1C[C@@H](C)O ZINC000820993930 599530944 /nfs/dbraw/zinc/53/09/44/599530944.db2.gz CDDHAVXPIJBTTE-HZPDHXFCSA-N 1 1 395.511 2.313 20 0 GEADMO C[C@@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820776709 599531131 /nfs/dbraw/zinc/53/11/31/599531131.db2.gz MWRXWDLLCUMFFY-CZUORRHYSA-N 1 1 399.886 2.159 20 0 GEADMO Cc1cccc2c(N[C@H]3CCc4nc(C(C)C)nn4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336893 599537061 /nfs/dbraw/zinc/53/70/61/599537061.db2.gz SSWCHZYAWOIGOU-ZDUSSCGKSA-N 1 1 389.467 2.287 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000823690019 599581168 /nfs/dbraw/zinc/58/11/68/599581168.db2.gz KMVYSPNLVFPKNY-MJGOQNOKSA-N 1 1 387.484 2.030 20 0 GEADMO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738444991 599588001 /nfs/dbraw/zinc/58/80/01/599588001.db2.gz AXNDJRCMHGHTIR-INIZCTEOSA-N 1 1 390.451 2.168 20 0 GEADMO O=C(CCN1CCC[N@H+](C2CCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844285 599592138 /nfs/dbraw/zinc/59/21/38/599592138.db2.gz RISLJWNLAJSHEZ-UHFFFAOYSA-N 1 1 383.500 2.146 20 0 GEADMO COc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737148242 599592402 /nfs/dbraw/zinc/59/24/02/599592402.db2.gz PNOZYQTYJYNZTL-IRXDYDNUSA-N 1 1 395.463 2.105 20 0 GEADMO C[C@H](O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000820474820 599640050 /nfs/dbraw/zinc/64/00/50/599640050.db2.gz VXYDWTKLWPPJTL-RYUDHWBXSA-N 1 1 392.529 2.084 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C)cc1 ZINC000821165466 599644495 /nfs/dbraw/zinc/64/44/95/599644495.db2.gz SNEBQPCMRVONQB-SFHVURJKSA-N 1 1 380.452 2.169 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C)cc1 ZINC000821165466 599644496 /nfs/dbraw/zinc/64/44/96/599644496.db2.gz SNEBQPCMRVONQB-SFHVURJKSA-N 1 1 380.452 2.169 20 0 GEADMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820683444 599646186 /nfs/dbraw/zinc/64/61/86/599646186.db2.gz BFBOAGMNZKRVBR-UONOGXRCSA-N 1 1 380.456 2.111 20 0 GEADMO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821604764 599683728 /nfs/dbraw/zinc/68/37/28/599683728.db2.gz FIYNUJSDUNOKHL-OAHLLOKOSA-N 1 1 388.472 2.187 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000819876404 599690307 /nfs/dbraw/zinc/69/03/07/599690307.db2.gz GXRSMLQGJCOFCJ-NEPJUHHUSA-N 1 1 390.513 2.102 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000822858895 607388627 /nfs/dbraw/zinc/38/86/27/607388627.db2.gz DLPRIJFYKURHSS-GOSISDBHSA-N 1 1 392.463 2.143 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)CC1 ZINC000737114879 599929002 /nfs/dbraw/zinc/92/90/02/599929002.db2.gz HYRWJPUYHTXDLN-FQEVSTJZSA-N 1 1 391.487 2.218 20 0 GEADMO CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000736455473 600003682 /nfs/dbraw/zinc/00/36/82/600003682.db2.gz SANCCKYDTKDNNM-FQEVSTJZSA-N 1 1 387.524 2.077 20 0 GEADMO Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736515 600095546 /nfs/dbraw/zinc/09/55/46/600095546.db2.gz OGUJPAMRDDRVOT-SJLPKXTDSA-N 1 1 385.464 2.262 20 0 GEADMO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736515 600095548 /nfs/dbraw/zinc/09/55/48/600095548.db2.gz OGUJPAMRDDRVOT-SJLPKXTDSA-N 1 1 385.464 2.262 20 0 GEADMO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC000820164355 607431842 /nfs/dbraw/zinc/43/18/42/607431842.db2.gz IWNZPJGIFVMCAR-HZPDHXFCSA-N 1 1 385.472 2.402 20 0 GEADMO C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000824936378 607450180 /nfs/dbraw/zinc/45/01/80/607450180.db2.gz GUPQVAMBODKVJM-HUUCEWRRSA-N 1 1 383.500 2.275 20 0 GEADMO COc1cc(C[N@@H+](C)C[C@H](C)O)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821711972 607452739 /nfs/dbraw/zinc/45/27/39/607452739.db2.gz BQOWCBVXFOXZDJ-AWEZNQCLSA-N 1 1 383.452 2.267 20 0 GEADMO Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C)c1OCC(=O)[O-] ZINC000738390290 600652506 /nfs/dbraw/zinc/65/25/06/600652506.db2.gz XMTUQNKPURJZHT-IBGZPJMESA-N 1 1 376.497 2.500 20 0 GEADMO C[C@@H]1COCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000825006878 607474590 /nfs/dbraw/zinc/47/45/90/607474590.db2.gz RPZSPQQUSWBMGN-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407293 607478634 /nfs/dbraw/zinc/47/86/34/607478634.db2.gz HUBHYVSALVJKJY-QFBILLFUSA-N 1 1 395.511 2.144 20 0 GEADMO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407297 607478664 /nfs/dbraw/zinc/47/86/64/607478664.db2.gz HUVLQIZBMBYHPX-QFBILLFUSA-N 1 1 395.511 2.144 20 0 GEADMO COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194425 607511371 /nfs/dbraw/zinc/51/13/71/607511371.db2.gz LKXYMFSZKQZDAB-CQSZACIVSA-N 1 1 388.472 2.317 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000824262240 607509546 /nfs/dbraw/zinc/50/95/46/607509546.db2.gz YNWGNFHMZRICEP-HZPDHXFCSA-N 1 1 386.500 2.118 20 0 GEADMO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])CC1 ZINC000826966087 601539490 /nfs/dbraw/zinc/53/94/90/601539490.db2.gz KLFPBRYFDTUKFS-HKUYNNGSSA-N 1 1 379.545 2.331 20 0 GEADMO CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])CC1 ZINC000826966087 601539491 /nfs/dbraw/zinc/53/94/91/601539491.db2.gz KLFPBRYFDTUKFS-HKUYNNGSSA-N 1 1 379.545 2.331 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000826183797 607517858 /nfs/dbraw/zinc/51/78/58/607517858.db2.gz AESJQUZKVZIJSP-UHFFFAOYSA-N 1 1 378.436 2.392 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000826183797 607517861 /nfs/dbraw/zinc/51/78/61/607517861.db2.gz AESJQUZKVZIJSP-UHFFFAOYSA-N 1 1 378.436 2.392 20 0 GEADMO C[C@H](C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000825994538 601740365 /nfs/dbraw/zinc/74/03/65/601740365.db2.gz ITDIVERCJOMOLS-XMSQKQJNSA-N 1 1 387.524 2.487 20 0 GEADMO CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(=O)[O-] ZINC000827091887 601824698 /nfs/dbraw/zinc/82/46/98/601824698.db2.gz NCOMIGOZICDOFR-NRFANRHFSA-N 1 1 383.492 2.183 20 0 GEADMO C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000263574147 601969502 /nfs/dbraw/zinc/96/95/02/601969502.db2.gz NIKSXLUDDZPWEM-FXAWDEMLSA-N 1 1 393.915 2.390 20 0 GEADMO C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000263574147 601969505 /nfs/dbraw/zinc/96/95/05/601969505.db2.gz NIKSXLUDDZPWEM-FXAWDEMLSA-N 1 1 393.915 2.390 20 0 GEADMO C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739712266 602222662 /nfs/dbraw/zinc/22/26/62/602222662.db2.gz UUHMWDZPSZSGDK-UFYCRDLUSA-N 1 1 375.513 2.334 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739712266 602222665 /nfs/dbraw/zinc/22/26/65/602222665.db2.gz UUHMWDZPSZSGDK-UFYCRDLUSA-N 1 1 375.513 2.334 20 0 GEADMO C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739712266 602222667 /nfs/dbraw/zinc/22/26/67/602222667.db2.gz UUHMWDZPSZSGDK-UFYCRDLUSA-N 1 1 375.513 2.334 20 0 GEADMO C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739712266 602222669 /nfs/dbraw/zinc/22/26/69/602222669.db2.gz UUHMWDZPSZSGDK-UFYCRDLUSA-N 1 1 375.513 2.334 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)C1CC1 ZINC000825394998 607570725 /nfs/dbraw/zinc/57/07/25/607570725.db2.gz JGRAWPNKHHEVMG-UHFFFAOYSA-N 1 1 379.424 2.477 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826335068 607671587 /nfs/dbraw/zinc/67/15/87/607671587.db2.gz WVINHIVKDHGCAS-ROUUACIJSA-N 1 1 394.483 2.140 20 0 GEADMO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444384536 649948137 /nfs/dbraw/zinc/94/81/37/649948137.db2.gz WLJCLXFVSWGLKO-PBHICJAKSA-N 1 1 399.329 2.378 20 0 GEADMO CC(C)(CC(=O)[O-])[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000833456463 604961262 /nfs/dbraw/zinc/96/12/62/604961262.db2.gz XFGAQMHUNSADEB-MRXNPFEDSA-N 1 1 381.904 2.436 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000833622870 605139333 /nfs/dbraw/zinc/13/93/33/605139333.db2.gz GYNGGYONFHXGQU-RHSMWYFYSA-N 1 1 396.919 2.133 20 0 GEADMO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826470940 607746552 /nfs/dbraw/zinc/74/65/52/607746552.db2.gz JAHVYTAPXJJFLF-NRFANRHFSA-N 1 1 391.479 2.323 20 0 GEADMO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506166 607749754 /nfs/dbraw/zinc/74/97/54/607749754.db2.gz OEDJCYHHLBJXLR-KBXCAEBGSA-N 1 1 387.390 2.332 20 0 GEADMO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506166 607749755 /nfs/dbraw/zinc/74/97/55/607749755.db2.gz OEDJCYHHLBJXLR-KBXCAEBGSA-N 1 1 387.390 2.332 20 0 GEADMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825120142 607752915 /nfs/dbraw/zinc/75/29/15/607752915.db2.gz ICQMQPXADAVNJV-HNNXBMFYSA-N 1 1 389.456 2.348 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000834249996 605785080 /nfs/dbraw/zinc/78/50/80/605785080.db2.gz DZHDDBGMWWHHKF-PMXSJFBMSA-N 1 1 387.524 2.175 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000834249996 605785084 /nfs/dbraw/zinc/78/50/84/605785084.db2.gz DZHDDBGMWWHHKF-PMXSJFBMSA-N 1 1 387.524 2.175 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000834249996 605785090 /nfs/dbraw/zinc/78/50/90/605785090.db2.gz DZHDDBGMWWHHKF-PMXSJFBMSA-N 1 1 387.524 2.175 20 0 GEADMO CC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000821165398 606068784 /nfs/dbraw/zinc/06/87/84/606068784.db2.gz QYZYTISTNUCBKW-AWEZNQCLSA-N 1 1 380.452 2.272 20 0 GEADMO CC[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000821165398 606068786 /nfs/dbraw/zinc/06/87/86/606068786.db2.gz QYZYTISTNUCBKW-AWEZNQCLSA-N 1 1 380.452 2.272 20 0 GEADMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820643291 606112245 /nfs/dbraw/zinc/11/22/45/606112245.db2.gz TYWYLOWMJCBBIL-MDASCCDHSA-N 1 1 376.464 2.346 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254112 606184286 /nfs/dbraw/zinc/18/42/86/606184286.db2.gz JXMKUQBSOATYLX-FZMZJTMJSA-N 1 1 391.545 2.146 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997955 606186635 /nfs/dbraw/zinc/18/66/35/606186635.db2.gz XXFRQQZEKULISY-HOTGVXAUSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997955 606186636 /nfs/dbraw/zinc/18/66/36/606186636.db2.gz XXFRQQZEKULISY-HOTGVXAUSA-N 1 1 398.492 2.455 20 0 GEADMO O=S(=O)(CC[N@@H+](C1CC1)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823557524 606186880 /nfs/dbraw/zinc/18/68/80/606186880.db2.gz MDBCFUDTZREHMZ-UHFFFAOYSA-N 1 1 375.498 2.438 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000823697834 606187515 /nfs/dbraw/zinc/18/75/15/606187515.db2.gz NGOGKFGEWSMHCX-INIZCTEOSA-N 1 1 389.525 2.358 20 0 GEADMO C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000820769324 606225538 /nfs/dbraw/zinc/22/55/38/606225538.db2.gz SIMYTVKJZUETAP-XHDPSFHLSA-N 1 1 382.390 2.042 20 0 GEADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823165827 606246063 /nfs/dbraw/zinc/24/60/63/606246063.db2.gz ASEFJLUSGBEITR-INIZCTEOSA-N 1 1 385.859 2.415 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821001389 606275049 /nfs/dbraw/zinc/27/50/49/606275049.db2.gz RCIIDNFXJJOCKS-DJIMGWMZSA-N 1 1 384.484 2.109 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000822637651 606278720 /nfs/dbraw/zinc/27/87/20/606278720.db2.gz RIZSQGWKMZBODZ-QGZVFWFLSA-N 1 1 399.886 2.426 20 0 GEADMO COC(=O)[C@H](NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000821642028 606306473 /nfs/dbraw/zinc/30/64/73/606306473.db2.gz CKAOTCAAOSRNOG-DNVCBOLYSA-N 1 1 394.479 2.191 20 0 GEADMO Cc1ccc(OCC[N@@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000822263247 606315315 /nfs/dbraw/zinc/31/53/15/606315315.db2.gz JVVPXVOZOFRYIA-MRXNPFEDSA-N 1 1 398.492 2.353 20 0 GEADMO Cc1ccc(OCC[N@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000822263247 606315316 /nfs/dbraw/zinc/31/53/16/606315316.db2.gz JVVPXVOZOFRYIA-MRXNPFEDSA-N 1 1 398.492 2.353 20 0 GEADMO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821153922 606316742 /nfs/dbraw/zinc/31/67/42/606316742.db2.gz HISAVGBWZPAHGG-WMLDXEAASA-N 1 1 379.468 2.492 20 0 GEADMO C[N@@H+](CCc1ccc(F)cc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604846 606316815 /nfs/dbraw/zinc/31/68/15/606316815.db2.gz JRXACCIFXGTTCL-HNNXBMFYSA-N 1 1 386.456 2.347 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823196556 606348252 /nfs/dbraw/zinc/34/82/52/606348252.db2.gz IFHMUISIQZYJBT-UHFFFAOYSA-N 1 1 387.444 2.247 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823196556 606348254 /nfs/dbraw/zinc/34/82/54/606348254.db2.gz IFHMUISIQZYJBT-UHFFFAOYSA-N 1 1 387.444 2.247 20 0 GEADMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823111198 606379090 /nfs/dbraw/zinc/37/90/90/606379090.db2.gz GBGQXSDUBJYDFL-UHFFFAOYSA-N 1 1 394.454 2.283 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000821255086 606383732 /nfs/dbraw/zinc/38/37/32/606383732.db2.gz UCHBFNWIXMYHLJ-IUODEOHRSA-N 1 1 375.452 2.020 20 0 GEADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821114592 606487148 /nfs/dbraw/zinc/48/71/48/606487148.db2.gz YRVAONYTABPMGC-AWEZNQCLSA-N 1 1 394.426 2.206 20 0 GEADMO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000822732895 606489648 /nfs/dbraw/zinc/48/96/48/606489648.db2.gz NVNBGAXZKZBVQV-CQSZACIVSA-N 1 1 375.383 2.329 20 0 GEADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821624954 606494482 /nfs/dbraw/zinc/49/44/82/606494482.db2.gz BCXDDWUDXDKISJ-UHFFFAOYSA-N 1 1 383.481 2.322 20 0 GEADMO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000821697779 606519061 /nfs/dbraw/zinc/51/90/61/606519061.db2.gz QZXPOPINNZBYBC-RYUDHWBXSA-N 1 1 390.513 2.245 20 0 GEADMO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000821697779 606519063 /nfs/dbraw/zinc/51/90/63/606519063.db2.gz QZXPOPINNZBYBC-RYUDHWBXSA-N 1 1 390.513 2.245 20 0 GEADMO Cc1cc(N2CCC(NC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)[nH+]1 ZINC000822206055 606604429 /nfs/dbraw/zinc/60/44/29/606604429.db2.gz SGEZYDODZSMHCS-UHFFFAOYSA-N 1 1 393.455 2.064 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000821572145 606616438 /nfs/dbraw/zinc/61/64/38/606616438.db2.gz SVBNMIPNSPHTCK-CQSZACIVSA-N 1 1 376.436 2.447 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000821572145 606616440 /nfs/dbraw/zinc/61/64/40/606616440.db2.gz SVBNMIPNSPHTCK-CQSZACIVSA-N 1 1 376.436 2.447 20 0 GEADMO C[N@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@@H]1CCOC1 ZINC000821593707 606623401 /nfs/dbraw/zinc/62/34/01/606623401.db2.gz GLMHNLWFQPLVFR-LBPRGKRZSA-N 1 1 390.513 2.104 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc([S@@](C)=O)cc1 ZINC000821598193 606623931 /nfs/dbraw/zinc/62/39/31/606623931.db2.gz USABABWCBQMIHS-MUUNZHRXSA-N 1 1 398.492 2.065 20 0 GEADMO c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(c2ncnc3c2CCCC3)CC1 ZINC000823821333 606645565 /nfs/dbraw/zinc/64/55/65/606645565.db2.gz SVKACULSZZCBJM-UHFFFAOYSA-N 1 1 390.495 2.248 20 0 GEADMO c1nnc([C@H]2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1C1CC1 ZINC000823743291 606656205 /nfs/dbraw/zinc/65/62/05/606656205.db2.gz XFLSOVJMLYLAND-INIZCTEOSA-N 1 1 394.483 2.442 20 0 GEADMO C[C@]1(c2ccccc2)CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636359 606717864 /nfs/dbraw/zinc/71/78/64/606717864.db2.gz RPBULRWKJSZYKZ-RXVVDRJESA-N 1 1 379.464 2.270 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820926860 606726165 /nfs/dbraw/zinc/72/61/65/606726165.db2.gz WRVWTTTVADPMEE-ZWKOTPCHSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820926860 606726166 /nfs/dbraw/zinc/72/61/66/606726166.db2.gz WRVWTTTVADPMEE-ZWKOTPCHSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926643 606741968 /nfs/dbraw/zinc/74/19/68/606741968.db2.gz UREZXKFFIOXIEW-MJGOQNOKSA-N 1 1 382.468 2.229 20 0 GEADMO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821570969 606812468 /nfs/dbraw/zinc/81/24/68/606812468.db2.gz UAHUANDIQOSNJG-IBGZPJMESA-N 1 1 376.464 2.142 20 0 GEADMO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCCc3ccncc3)c2c1 ZINC000822737491 606822603 /nfs/dbraw/zinc/82/26/03/606822603.db2.gz XHQKAHKIZHGBSM-UHFFFAOYSA-N 1 1 383.362 2.488 20 0 GEADMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)[C@@H](C)C1 ZINC000820753385 606834377 /nfs/dbraw/zinc/83/43/77/606834377.db2.gz YPGNSEDUVIAJQZ-GWCFXTLKSA-N 1 1 395.414 2.318 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820753570 606860220 /nfs/dbraw/zinc/86/02/20/606860220.db2.gz ZHURHFSIQJRAKA-LKFCYVNXSA-N 1 1 377.905 2.289 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000820658829 606862655 /nfs/dbraw/zinc/86/26/55/606862655.db2.gz UZUYIRIWIWMZFR-DNVCBOLYSA-N 1 1 391.479 2.329 20 0 GEADMO CC[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1COc2ccccc2O1 ZINC000821207541 606883266 /nfs/dbraw/zinc/88/32/66/606883266.db2.gz PSGVIFZODGYPMS-IRXDYDNUSA-N 1 1 381.436 2.062 20 0 GEADMO c1csc(N2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000823763034 606888580 /nfs/dbraw/zinc/88/85/80/606888580.db2.gz XVGZQVHBJWPGNN-UHFFFAOYSA-N 1 1 385.497 2.304 20 0 GEADMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222665 606893271 /nfs/dbraw/zinc/89/32/71/606893271.db2.gz WQIQIKVEMAFVJB-IBGZPJMESA-N 1 1 394.479 2.124 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000820656490 606903775 /nfs/dbraw/zinc/90/37/75/606903775.db2.gz FUZZTEIXCFREIG-BEFAXECRSA-N 1 1 376.464 2.188 20 0 GEADMO C[C@H]1C[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@H+]1Cc1ccccc1 ZINC000820658423 606903840 /nfs/dbraw/zinc/90/38/40/606903840.db2.gz SDFJZGRIMLLFOH-YJBOKZPZSA-N 1 1 392.463 2.025 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@H+]1Cc1ccccc1 ZINC000820658422 606903885 /nfs/dbraw/zinc/90/38/85/606903885.db2.gz SDFJZGRIMLLFOH-QAPCUYQASA-N 1 1 392.463 2.025 20 0 GEADMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821653671 606908314 /nfs/dbraw/zinc/90/83/14/606908314.db2.gz HIYYGXLXRFURDB-GBESFXJTSA-N 1 1 399.495 2.344 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614484 606909514 /nfs/dbraw/zinc/90/95/14/606909514.db2.gz IGMOHXQXKLHQHR-UXHICEINSA-N 1 1 378.480 2.106 20 0 GEADMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614484 606909515 /nfs/dbraw/zinc/90/95/15/606909515.db2.gz IGMOHXQXKLHQHR-UXHICEINSA-N 1 1 378.480 2.106 20 0 GEADMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614484 606909516 /nfs/dbraw/zinc/90/95/16/606909516.db2.gz IGMOHXQXKLHQHR-UXHICEINSA-N 1 1 378.480 2.106 20 0 GEADMO CCN1CC[NH+]([C@@H](C)CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821268167 606910693 /nfs/dbraw/zinc/91/06/93/606910693.db2.gz UVKVIQYMGDPPSE-LBPRGKRZSA-N 1 1 383.422 2.323 20 0 GEADMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819927951 606913823 /nfs/dbraw/zinc/91/38/23/606913823.db2.gz CNFVMMRBDIMTNO-PBHICJAKSA-N 1 1 387.484 2.344 20 0 GEADMO O[C@H](C[C@H]1COCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823675544 606916126 /nfs/dbraw/zinc/91/61/26/606916126.db2.gz XGZVQTYMIIOOHN-AZUAARDMSA-N 1 1 395.463 2.070 20 0 GEADMO O[C@H](C[C@H]1COCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823675544 606916127 /nfs/dbraw/zinc/91/61/27/606916127.db2.gz XGZVQTYMIIOOHN-AZUAARDMSA-N 1 1 395.463 2.070 20 0 GEADMO O[C@H](C[C@@H]1COCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823675319 606916290 /nfs/dbraw/zinc/91/62/90/606916290.db2.gz WBEATLUECSWEII-IEBWSBKVSA-N 1 1 395.463 2.070 20 0 GEADMO O[C@H](C[C@@H]1COCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823675319 606916292 /nfs/dbraw/zinc/91/62/92/606916292.db2.gz WBEATLUECSWEII-IEBWSBKVSA-N 1 1 395.463 2.070 20 0 GEADMO CCc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1CC ZINC000821529119 606917567 /nfs/dbraw/zinc/91/75/67/606917567.db2.gz SXPWFTKXORBTSB-OAHLLOKOSA-N 1 1 378.484 2.468 20 0 GEADMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819940248 606963102 /nfs/dbraw/zinc/96/31/02/606963102.db2.gz UKIAWXNRRCEVRL-ZDUSSCGKSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819940248 606963103 /nfs/dbraw/zinc/96/31/03/606963103.db2.gz UKIAWXNRRCEVRL-ZDUSSCGKSA-N 1 1 376.436 2.495 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446065234 649970045 /nfs/dbraw/zinc/97/00/45/649970045.db2.gz ZRDXQDAIJAVMBH-INIZCTEOSA-N 1 1 399.329 2.379 20 0 GEADMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821607573 607056320 /nfs/dbraw/zinc/05/63/20/607056320.db2.gz UYJIRYLAFPQHQE-UHFFFAOYSA-N 1 1 382.443 2.474 20 0 GEADMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821602670 607068746 /nfs/dbraw/zinc/06/87/46/607068746.db2.gz NGLHQIJLRCAJHW-UHFFFAOYSA-N 1 1 395.486 2.260 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(C(=O)CSCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625601 607071394 /nfs/dbraw/zinc/07/13/94/607071394.db2.gz RPCRJMIUOQDZPJ-DLBZAZTESA-N 1 1 386.525 2.043 20 0 GEADMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822299873 607075008 /nfs/dbraw/zinc/07/50/08/607075008.db2.gz XPYHFLKEHMZBIN-LPHOPBHVSA-N 1 1 380.452 2.147 20 0 GEADMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820955447 607105954 /nfs/dbraw/zinc/10/59/54/607105954.db2.gz BXOPMGLZSZUWJR-STQMWFEESA-N 1 1 378.502 2.392 20 0 GEADMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820955447 607105955 /nfs/dbraw/zinc/10/59/55/607105955.db2.gz BXOPMGLZSZUWJR-STQMWFEESA-N 1 1 378.502 2.392 20 0 GEADMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997080 607107634 /nfs/dbraw/zinc/10/76/34/607107634.db2.gz MTXIIPODXRBACR-SGTLLEGYSA-N 1 1 390.875 2.086 20 0 GEADMO O=C(CC[N@H+](CCCO)Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000822965047 607147686 /nfs/dbraw/zinc/14/76/86/607147686.db2.gz YCVMUZXFNRSEPS-UHFFFAOYSA-N 1 1 380.452 2.080 20 0 GEADMO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000822731922 607150391 /nfs/dbraw/zinc/15/03/91/607150391.db2.gz DXSIAXGUEFPSDC-TZMCWYRMSA-N 1 1 383.424 2.174 20 0 GEADMO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000822731922 607150393 /nfs/dbraw/zinc/15/03/93/607150393.db2.gz DXSIAXGUEFPSDC-TZMCWYRMSA-N 1 1 383.424 2.174 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820648947 607233517 /nfs/dbraw/zinc/23/35/17/607233517.db2.gz GWMWQJMOIKXXRJ-TXEJJXNPSA-N 1 1 391.907 2.401 20 0 GEADMO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877212 607795733 /nfs/dbraw/zinc/79/57/33/607795733.db2.gz WYRNCUFBUMXKNR-DOTOQJQBSA-N 1 1 391.479 2.292 20 0 GEADMO C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)C[N@H+]1Cc1ccccc1 ZINC000824877215 607795753 /nfs/dbraw/zinc/79/57/53/607795753.db2.gz WYRNCUFBUMXKNR-RDJZCZTQSA-N 1 1 391.479 2.292 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCc1nccs1 ZINC000824045879 607802005 /nfs/dbraw/zinc/80/20/05/607802005.db2.gz ONCCQPCGEWIFNG-SNVBAGLBSA-N 1 1 391.888 2.478 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCc1nccs1 ZINC000824045879 607802006 /nfs/dbraw/zinc/80/20/06/607802006.db2.gz ONCCQPCGEWIFNG-SNVBAGLBSA-N 1 1 391.888 2.478 20 0 GEADMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824899900 607828862 /nfs/dbraw/zinc/82/88/62/607828862.db2.gz QAUJJTKLPBDESF-KEYYUXOJSA-N 1 1 375.498 2.293 20 0 GEADMO CCS[C@H]1CC[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825669307 607829075 /nfs/dbraw/zinc/82/90/75/607829075.db2.gz USDLPSNFFMWGCH-CABCVRRESA-N 1 1 395.554 2.246 20 0 GEADMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825669307 607829076 /nfs/dbraw/zinc/82/90/76/607829076.db2.gz USDLPSNFFMWGCH-CABCVRRESA-N 1 1 395.554 2.246 20 0 GEADMO Cc1nc(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)sc1C ZINC000826327066 607830935 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383.290 2.032 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)CC[NH2+]1 ZINC000447516809 650007182 /nfs/dbraw/zinc/00/71/82/650007182.db2.gz ICWDLQBQDBDFJW-SCZZXKLOSA-N 1 1 384.221 2.038 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000447941860 650011633 /nfs/dbraw/zinc/01/16/33/650011633.db2.gz LKQZMYQRHRSIEV-GFCCVEGCSA-N 1 1 376.320 2.243 20 0 GEADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000448024363 650013051 /nfs/dbraw/zinc/01/30/51/650013051.db2.gz XZKDOBFAPHNZAH-GFCCVEGCSA-N 1 1 386.290 2.384 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ncc1Br ZINC000448319234 650015119 /nfs/dbraw/zinc/01/51/19/650015119.db2.gz GPTPRGDXJQMBFO-CYBMUJFWSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ncc1Br ZINC000448319238 650015213 /nfs/dbraw/zinc/01/52/13/650015213.db2.gz GPTPRGDXJQMBFO-ZDUSSCGKSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1ccc(Br)cc1CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000448978214 650027832 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C[C@H](C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000449196329 650033737 /nfs/dbraw/zinc/03/37/37/650033737.db2.gz XFWZLJSOICWURH-CXAGYDPISA-N 1 1 379.503 2.312 20 0 GEADMO COc1cc(Br)c(CNC[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449394989 650040048 /nfs/dbraw/zinc/04/00/48/650040048.db2.gz OYKNCIBYUBAJKM-AWEZNQCLSA-N 1 1 387.318 2.403 20 0 GEADMO COc1cc(Br)c(CNC[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449394989 650040051 /nfs/dbraw/zinc/04/00/51/650040051.db2.gz OYKNCIBYUBAJKM-AWEZNQCLSA-N 1 1 387.318 2.403 20 0 GEADMO C[C@H](C[NH2+]Cc1nn(C)cc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000449483947 650041734 /nfs/dbraw/zinc/04/17/34/650041734.db2.gz KSWBADKEYDDHMH-LLVKDONJSA-N 1 1 386.315 2.479 20 0 GEADMO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@H](C)[N@@H+]1CCO ZINC000449535577 650042449 /nfs/dbraw/zinc/04/24/49/650042449.db2.gz DKAUXLXJMGNELO-OKILXGFUSA-N 1 1 399.329 2.497 20 0 GEADMO COC[C@]1(CO)CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449699418 650046434 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CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000502712178 650410651 /nfs/dbraw/zinc/41/06/51/650410651.db2.gz PFFGIELVXWJCAR-OAHLLOKOSA-N 1 1 387.571 2.317 20 0 GEADMO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cn2c(n1)CCCC2 ZINC000503467017 650418259 /nfs/dbraw/zinc/41/82/59/650418259.db2.gz ZDSPXTRABCUYBQ-CQSZACIVSA-N 1 1 380.539 2.396 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000503476393 650418371 /nfs/dbraw/zinc/41/83/71/650418371.db2.gz ICXXKTPSSLSBJL-SNVBAGLBSA-N 1 1 395.294 2.312 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000503476393 650418373 /nfs/dbraw/zinc/41/83/73/650418373.db2.gz ICXXKTPSSLSBJL-SNVBAGLBSA-N 1 1 395.294 2.312 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000503503679 650418538 /nfs/dbraw/zinc/41/85/38/650418538.db2.gz HYGDINKAYOEHGN-VHSXEESVSA-N 1 1 395.294 2.358 20 0 GEADMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000503511954 650419067 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CCOc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1Br ZINC000426682439 648713289 /nfs/dbraw/zinc/71/32/89/648713289.db2.gz IOOFWPUULOQKTR-UHFFFAOYSA-N 1 1 395.257 2.108 20 0 GEADMO C[C@H](CNC(=O)NC[C@H](CO)Cc1ccccc1Br)[N@@H+](C)C1CC1 ZINC000428579091 648738871 /nfs/dbraw/zinc/73/88/71/648738871.db2.gz HZFKPGVWGQVPDQ-ZIAGYGMSSA-N 1 1 398.345 2.382 20 0 GEADMO C[C@H](CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[N@@H+](C)C1CC1 ZINC000428585661 648739508 /nfs/dbraw/zinc/73/95/08/648739508.db2.gz ZXGWOUZHFURBAU-HIFRSBDPSA-N 1 1 398.345 2.382 20 0 GEADMO O=C(NC[C@@H](CO)Cc1ccccc1Br)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000428591883 648739963 /nfs/dbraw/zinc/73/99/63/648739963.db2.gz AMLZZTPUJCEESP-ZFWWWQNUSA-N 1 1 396.329 2.136 20 0 GEADMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000429724521 648750903 /nfs/dbraw/zinc/75/09/03/648750903.db2.gz MTIUECPKGXTNBZ-UONOGXRCSA-N 1 1 384.889 2.340 20 0 GEADMO [NH3+]Cc1nc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cs1 ZINC000430676159 648765025 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O=C(c1ccc(Br)c(F)c1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000625339547 652345330 /nfs/dbraw/zinc/34/53/30/652345330.db2.gz XFAQNYDUBNNWHY-OLZOCXBDSA-N 1 1 389.240 2.399 20 0 GEADMO CC(C)C(=O)N1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000659248486 652350295 /nfs/dbraw/zinc/35/02/95/652350295.db2.gz ZHYJLGDIOOTXGZ-UHFFFAOYSA-N 1 1 386.315 2.054 20 0 GEADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521758 652352068 /nfs/dbraw/zinc/35/20/68/652352068.db2.gz HPSRVUNQUGLRDN-CQSZACIVSA-N 1 1 382.302 2.053 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521758 652352074 /nfs/dbraw/zinc/35/20/74/652352074.db2.gz HPSRVUNQUGLRDN-CQSZACIVSA-N 1 1 382.302 2.053 20 0 GEADMO [NH3+]Cc1nc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cs1 ZINC000659359117 652354960 /nfs/dbraw/zinc/35/49/60/652354960.db2.gz WPNWWXOJHGHKAK-UHFFFAOYSA-N 1 1 381.299 2.327 20 0 GEADMO COc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1Br ZINC000625646427 652364129 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COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC000625794144 652370742 /nfs/dbraw/zinc/37/07/42/652370742.db2.gz HVUHGDYXMPZHKG-CYBMUJFWSA-N 1 1 377.304 2.273 20 0 GEADMO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC000625794144 652370765 /nfs/dbraw/zinc/37/07/65/652370765.db2.gz HVUHGDYXMPZHKG-CYBMUJFWSA-N 1 1 377.304 2.273 20 0 GEADMO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000625793038 652370996 /nfs/dbraw/zinc/37/09/96/652370996.db2.gz PPNLXPZNYDUKPF-WBVHZDCISA-N 1 1 399.329 2.288 20 0 GEADMO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000625793038 652370999 /nfs/dbraw/zinc/37/09/99/652370999.db2.gz PPNLXPZNYDUKPF-WBVHZDCISA-N 1 1 399.329 2.288 20 0 GEADMO COc1ncc(Br)cc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659908656 652371283 /nfs/dbraw/zinc/37/12/83/652371283.db2.gz FWDNMBLKJDVJBA-QGZVFWFLSA-N 1 1 397.361 2.455 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625805956 652372274 /nfs/dbraw/zinc/37/22/74/652372274.db2.gz DYNSAVIVWSLKKE-USXIJHARSA-N 1 1 381.314 2.419 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)C[C@H]2CSCCS2)c2cccs2)CC1 ZINC000751962814 652373295 /nfs/dbraw/zinc/37/32/95/652373295.db2.gz BNOLHQQGIJUJCW-GJZGRUSLSA-N 1 1 385.624 2.392 20 0 GEADMO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000580325310 652376241 /nfs/dbraw/zinc/37/62/41/652376241.db2.gz VJGXJOUTPJHIKX-KOLCDFICSA-N 1 1 398.248 2.415 20 0 GEADMO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626009791 652379161 /nfs/dbraw/zinc/37/91/61/652379161.db2.gz TVHISPZRAVNSQM-INIZCTEOSA-N 1 1 392.297 2.492 20 0 GEADMO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626009791 652379164 /nfs/dbraw/zinc/37/91/64/652379164.db2.gz TVHISPZRAVNSQM-INIZCTEOSA-N 1 1 392.297 2.492 20 0 GEADMO C[NH+](C)CCN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000626010089 652379651 /nfs/dbraw/zinc/37/96/51/652379651.db2.gz FNDXYUKYNSPMJE-HNNXBMFYSA-N 1 1 393.336 2.113 20 0 GEADMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000660106661 652386811 /nfs/dbraw/zinc/38/68/11/652386811.db2.gz HNUCACCPDFJZTL-LBPRGKRZSA-N 1 1 375.560 2.344 20 0 GEADMO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000580649701 652387035 /nfs/dbraw/zinc/38/70/35/652387035.db2.gz ROQNDOUBBPSXDE-CABCVRRESA-N 1 1 390.958 2.474 20 0 GEADMO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660126166 652388708 /nfs/dbraw/zinc/38/87/08/652388708.db2.gz WXDCVNYMZHLHGE-GFCCVEGCSA-N 1 1 393.285 2.308 20 0 GEADMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660126166 652388711 /nfs/dbraw/zinc/38/87/11/652388711.db2.gz WXDCVNYMZHLHGE-GFCCVEGCSA-N 1 1 393.285 2.308 20 0 GEADMO COc1c(Cl)cc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000626347448 652389930 /nfs/dbraw/zinc/38/99/30/652389930.db2.gz VURNIVNFRZJPHG-ZDUSSCGKSA-N 1 1 389.283 2.463 20 0 GEADMO CC(C)Oc1ccc(Br)cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626450505 652392786 /nfs/dbraw/zinc/39/27/86/652392786.db2.gz NUCGPJSNQNSUEN-CYBMUJFWSA-N 1 1 386.290 2.424 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3coc(S(N)(=O)=O)c3)C2)s1 ZINC000660498141 652404539 /nfs/dbraw/zinc/40/45/39/652404539.db2.gz WYPYAUXESGWSFH-AWEZNQCLSA-N 1 1 383.539 2.251 20 0 GEADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000660632093 652408179 /nfs/dbraw/zinc/40/81/79/652408179.db2.gz KZDHALCBUYZKLK-CWRNSKLLSA-N 1 1 388.327 2.126 20 0 GEADMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1nnnn1-c1ccccc1Br)C2 ZINC000660660123 652409035 /nfs/dbraw/zinc/40/90/35/652409035.db2.gz ULNGOWZDGNHZJZ-KRWDZBQOSA-N 1 1 391.317 2.343 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660699879 652410168 /nfs/dbraw/zinc/41/01/68/652410168.db2.gz JQUFUTBIVVNDIP-IUODEOHRSA-N 1 1 390.311 2.437 20 0 GEADMO C[C@@H]1CC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C[NH2+]1 ZINC000626985285 652410436 /nfs/dbraw/zinc/41/04/36/652410436.db2.gz SAJJWVXWJRROPW-MFKMUULPSA-N 1 1 393.289 2.174 20 0 GEADMO C[C@@H]1CC[C@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C[NH2+]1 ZINC000626985285 652410440 /nfs/dbraw/zinc/41/04/40/652410440.db2.gz SAJJWVXWJRROPW-MFKMUULPSA-N 1 1 393.289 2.174 20 0 GEADMO CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000660755283 652413396 /nfs/dbraw/zinc/41/33/96/652413396.db2.gz ZKZOHWCEDGMFNV-UHFFFAOYSA-N 1 1 385.350 2.358 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000661069487 652418341 /nfs/dbraw/zinc/41/83/41/652418341.db2.gz NUIOSXIEJRHTPD-CYBMUJFWSA-N 1 1 387.933 2.416 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145313 652420496 /nfs/dbraw/zinc/42/04/96/652420496.db2.gz ACLGDSUQXODTCC-AWEZNQCLSA-N 1 1 392.301 2.021 20 0 GEADMO C[C@H](NC(=O)C[N@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000661145709 652420665 /nfs/dbraw/zinc/42/06/65/652420665.db2.gz DAWQBFJKEIXQBD-KBPBESRZSA-N 1 1 392.301 2.240 20 0 GEADMO CNC(=O)CCSCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000581670491 652420956 /nfs/dbraw/zinc/42/09/56/652420956.db2.gz HQGUKRNZAKTNTK-MRXNPFEDSA-N 1 1 383.945 2.462 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1cccc(Br)c1 ZINC000661146540 652421127 /nfs/dbraw/zinc/42/11/27/652421127.db2.gz URAHBRMVOPJTCZ-CYBMUJFWSA-N 1 1 378.274 2.391 20 0 GEADMO O=C(c1c(F)cc(Br)cc1F)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627260518 652421198 /nfs/dbraw/zinc/42/11/98/652421198.db2.gz JUPIYQDUXQSJJG-MNOVXSKESA-N 1 1 375.213 2.008 20 0 GEADMO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627260960 652421591 /nfs/dbraw/zinc/42/15/91/652421591.db2.gz QVRWLVWRCMLULS-VXGBXAGGSA-N 1 1 378.270 2.212 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000581735838 652423933 /nfs/dbraw/zinc/42/39/33/652423933.db2.gz DAFWHMOISVPKTE-CQSZACIVSA-N 1 1 396.329 2.174 20 0 GEADMO CC[N@H+]1CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@H]1C ZINC000754224102 652430247 /nfs/dbraw/zinc/43/02/47/652430247.db2.gz KXCXVLMBJQNLLA-GFCCVEGCSA-N 1 1 379.917 2.440 20 0 GEADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000581990923 652430494 /nfs/dbraw/zinc/43/04/94/652430494.db2.gz FPVFLOJDQISTEI-MRXNPFEDSA-N 1 1 381.885 2.020 20 0 GEADMO CO[C@@]1(CO)CCC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000661393158 652430760 /nfs/dbraw/zinc/43/07/60/652430760.db2.gz IAUNDNVMHWVUJB-KRWDZBQOSA-N 1 1 375.296 2.125 20 0 GEADMO CO[C@@]1(CO)CCC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000661393158 652430762 /nfs/dbraw/zinc/43/07/62/652430762.db2.gz IAUNDNVMHWVUJB-KRWDZBQOSA-N 1 1 375.296 2.125 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)s1 ZINC000754320717 652432898 /nfs/dbraw/zinc/43/28/98/652432898.db2.gz VWFFBECZWNSSIV-GFCCVEGCSA-N 1 1 382.511 2.039 20 0 GEADMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000661493687 652432985 /nfs/dbraw/zinc/43/29/85/652432985.db2.gz HVBWPEQBESOVII-CALCHBBNSA-N 1 1 378.270 2.315 20 0 GEADMO NC(=O)C1([NH2+]CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCOCC1 ZINC000661595361 652433972 /nfs/dbraw/zinc/43/39/72/652433972.db2.gz NMROZCCKBNLUAH-UHFFFAOYSA-N 1 1 380.659 2.209 20 0 GEADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](CCc1nccs1)C(C)C ZINC000754368800 652434291 /nfs/dbraw/zinc/43/42/91/652434291.db2.gz RFWINEFNHMHQDT-LFIBNONCSA-N 1 1 383.539 2.376 20 0 GEADMO Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1Br ZINC000661601381 652434333 /nfs/dbraw/zinc/43/43/33/652434333.db2.gz QOONIPCAWYZXPA-IUODEOHRSA-N 1 1 380.286 2.297 20 0 GEADMO Cc1cc(NC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1Br ZINC000661601381 652434338 /nfs/dbraw/zinc/43/43/38/652434338.db2.gz QOONIPCAWYZXPA-IUODEOHRSA-N 1 1 380.286 2.297 20 0 GEADMO O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000661598272 652434349 /nfs/dbraw/zinc/43/43/49/652434349.db2.gz OUDVVGGDQPLKTR-IUODEOHRSA-N 1 1 380.286 2.378 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1Br ZINC000661597749 652434425 /nfs/dbraw/zinc/43/44/25/652434425.db2.gz NBVNQJRFQYCKPW-JSGCOSHPSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661609253 652435367 /nfs/dbraw/zinc/43/53/67/652435367.db2.gz OSQPPAUUEDHMJG-JMSVASOKSA-N 1 1 380.286 2.377 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000627826563 652440253 /nfs/dbraw/zinc/44/02/53/652440253.db2.gz AXHBJVZGRWLMTL-LLVKDONJSA-N 1 1 386.265 2.375 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000627828886 652440525 /nfs/dbraw/zinc/44/05/25/652440525.db2.gz NXQHQTRXHUZNTP-LLVKDONJSA-N 1 1 386.265 2.375 20 0 GEADMO Cc1cc(N2CCC[C@@H]([N@H+]3CCC(=O)N(C)CC3)C2=O)ccc1Br ZINC000661806207 652440598 /nfs/dbraw/zinc/44/05/98/652440598.db2.gz DOHDVLTZKYNJSK-MRXNPFEDSA-N 1 1 394.313 2.417 20 0 GEADMO Cc1cc(N2CCC[C@@H]([N@@H+]3CCC(=O)N(C)CC3)C2=O)ccc1Br ZINC000661806207 652440601 /nfs/dbraw/zinc/44/06/01/652440601.db2.gz DOHDVLTZKYNJSK-MRXNPFEDSA-N 1 1 394.313 2.417 20 0 GEADMO COC[C@@](C)(CCO)[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000754665399 652441989 /nfs/dbraw/zinc/44/19/89/652441989.db2.gz BQBKNWJPOABART-CYBMUJFWSA-N 1 1 376.276 2.438 20 0 GEADMO C[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CC[N@H+]1CC(C)(C)O ZINC000582273472 652443068 /nfs/dbraw/zinc/44/30/68/652443068.db2.gz RNAXHOHCKOVDFO-CYBMUJFWSA-N 1 1 381.318 2.374 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000627929245 652443452 /nfs/dbraw/zinc/44/34/52/652443452.db2.gz BURMELSWLCBPGK-UHFFFAOYSA-N 1 1 393.281 2.204 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627943001 652444197 /nfs/dbraw/zinc/44/41/97/652444197.db2.gz ULMKUMZWOFEEEL-FCXCGARNSA-N 1 1 391.309 2.314 20 0 GEADMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000662010467 652444953 /nfs/dbraw/zinc/44/49/53/652444953.db2.gz DPLYLBBAGYCNGK-OAHLLOKOSA-N 1 1 397.317 2.465 20 0 GEADMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016405 652445341 /nfs/dbraw/zinc/44/53/41/652445341.db2.gz JFEUFNRWURZBNL-ZIAGYGMSSA-N 1 1 390.311 2.421 20 0 GEADMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662016403 652445516 /nfs/dbraw/zinc/44/55/16/652445516.db2.gz JFEUFNRWURZBNL-KGLIPLIRSA-N 1 1 390.311 2.421 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000662042332 652446312 /nfs/dbraw/zinc/44/63/12/652446312.db2.gz FFTKXEIEOZUVCB-CYBMUJFWSA-N 1 1 385.917 2.438 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000662042332 652446313 /nfs/dbraw/zinc/44/63/13/652446313.db2.gz FFTKXEIEOZUVCB-CYBMUJFWSA-N 1 1 385.917 2.438 20 0 GEADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000754794760 652446834 /nfs/dbraw/zinc/44/68/34/652446834.db2.gz XBCGICXVVCMFHF-LLVKDONJSA-N 1 1 381.885 2.412 20 0 GEADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000754794760 652446839 /nfs/dbraw/zinc/44/68/39/652446839.db2.gz XBCGICXVVCMFHF-LLVKDONJSA-N 1 1 381.885 2.412 20 0 GEADMO Cc1cc(NC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000662156463 652449423 /nfs/dbraw/zinc/44/94/23/652449423.db2.gz MDNYSOKBRDGCTH-MRXNPFEDSA-N 1 1 396.329 2.227 20 0 GEADMO O[C@H]1CC[N@H+](C2CCN(Cc3cc4c(cc3Br)OCO4)CC2)C1 ZINC000662157333 652449454 /nfs/dbraw/zinc/44/94/54/652449454.db2.gz PSIVBLHQGPAKBW-AWEZNQCLSA-N 1 1 383.286 2.209 20 0 GEADMO COc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000628146681 652453253 /nfs/dbraw/zinc/45/32/53/652453253.db2.gz WTZDUGJEHMKELT-CQSZACIVSA-N 1 1 383.286 2.129 20 0 GEADMO C[C@H](CNC(=O)c1cccc(I)c1O)C[NH+]1CCCC1 ZINC000755079830 652456512 /nfs/dbraw/zinc/45/65/12/652456512.db2.gz WDXIZIRLJCQKLS-LLVKDONJSA-N 1 1 388.249 2.459 20 0 GEADMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ncc(COC)s2)CC1 ZINC000582632529 652457142 /nfs/dbraw/zinc/45/71/42/652457142.db2.gz DZXPGOCBCWIHMG-ZDUSSCGKSA-N 1 1 375.560 2.172 20 0 GEADMO [NH3+][C@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1ccccc1Br ZINC000662356294 652457154 /nfs/dbraw/zinc/45/71/54/652457154.db2.gz QIFNJGVOSKMQJJ-KRWDZBQOSA-N 1 1 389.297 2.188 20 0 GEADMO [NH3+][C@H](C(=O)NCCc1cn2c(n1)CCCC2)c1ccccc1Br ZINC000662377920 652458041 /nfs/dbraw/zinc/45/80/41/652458041.db2.gz SIQJSMTXMZJEFN-INIZCTEOSA-N 1 1 377.286 2.341 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC2CC1(C)C2 ZINC000662382000 652458346 /nfs/dbraw/zinc/45/83/46/652458346.db2.gz BBKCOHIRTNBMIV-ZBFVHZJFSA-N 1 1 385.917 2.402 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000662389250 652458732 /nfs/dbraw/zinc/45/87/32/652458732.db2.gz UMHGXGHDWFTWFO-WFASDCNBSA-N 1 1 390.285 2.024 20 0 GEADMO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(I)c2O)C1 ZINC000755198931 652460242 /nfs/dbraw/zinc/46/02/42/652460242.db2.gz RFJQUWCQQPXBLT-NSHDSACASA-N 1 1 388.249 2.459 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(I)c2O)C1 ZINC000755198931 652460244 /nfs/dbraw/zinc/46/02/44/652460244.db2.gz RFJQUWCQQPXBLT-NSHDSACASA-N 1 1 388.249 2.459 20 0 GEADMO CC(C)C(=O)N1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662441459 652461367 /nfs/dbraw/zinc/46/13/67/652461367.db2.gz IMWDMVIQDMRTQC-OAHLLOKOSA-N 1 1 382.302 2.166 20 0 GEADMO CCCN(CC[NH+](C)C)C(=O)c1cccc(I)c1O ZINC000755252731 652461400 /nfs/dbraw/zinc/46/14/00/652461400.db2.gz NCFOXMKTKNPQFK-UHFFFAOYSA-N 1 1 376.238 2.411 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000628584496 652463865 /nfs/dbraw/zinc/46/38/65/652463865.db2.gz DSXRDSVRBMSNCI-HNNXBMFYSA-N 1 1 393.285 2.000 20 0 GEADMO C[C@@H]1C[NH+](CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)C[C@@H](C)O1 ZINC000582857432 652464241 /nfs/dbraw/zinc/46/42/41/652464241.db2.gz OXTDOUYTYFRGJQ-HUUCEWRRSA-N 1 1 385.555 2.067 20 0 GEADMO [NH3+][C@H](C(=O)NCCCc1nnc2n1CCCC2)c1ccccc1Br ZINC000662510029 652465362 /nfs/dbraw/zinc/46/53/62/652465362.db2.gz BAKJNTJNCXWMOB-INIZCTEOSA-N 1 1 392.301 2.126 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(Cn2cncn2)CC1 ZINC000662539129 652466781 /nfs/dbraw/zinc/46/67/81/652466781.db2.gz PPODCHVXCLSZBS-UHFFFAOYSA-N 1 1 396.314 2.258 20 0 GEADMO Cn1c(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)nnc1C1CCC1 ZINC000662540529 652466789 /nfs/dbraw/zinc/46/67/89/652466789.db2.gz KBTPGGFHPJMCOS-UHFFFAOYSA-N 1 1 396.314 2.440 20 0 GEADMO Cn1c(CNC(=O)[C@H]([NH3+])c2ccccc2Br)nnc1C1CCC1 ZINC000662540257 652466818 /nfs/dbraw/zinc/46/68/18/652466818.db2.gz FCFLNUYKLYNKNM-CQSZACIVSA-N 1 1 378.274 2.161 20 0 GEADMO O=C(Nc1cnc2c(Br)cccn12)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662540579 652466861 /nfs/dbraw/zinc/46/68/61/652466861.db2.gz YYLCELHZPMRBNE-VIFPVBQESA-N 1 1 375.230 2.149 20 0 GEADMO C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)N1CCCCC1=O ZINC000662542861 652466869 /nfs/dbraw/zinc/46/68/69/652466869.db2.gz CLNRJQWCRLINGH-SECBINFHSA-N 1 1 386.315 2.245 20 0 GEADMO O=C(c1sc2c(c1Br)CNC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662561262 652468125 /nfs/dbraw/zinc/46/81/25/652468125.db2.gz ODXOMEBDAZXMJI-GFCCVEGCSA-N 1 1 393.310 2.296 20 0 GEADMO C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000662583682 652468897 /nfs/dbraw/zinc/46/88/97/652468897.db2.gz GJTUCFYBLUKFEV-JFILPPLUSA-N 1 1 384.318 2.063 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000628738222 652469458 /nfs/dbraw/zinc/46/94/58/652469458.db2.gz DKECTPGVVBVRDR-AWEZNQCLSA-N 1 1 396.329 2.417 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000582979949 652469495 /nfs/dbraw/zinc/46/94/95/652469495.db2.gz JKTNKLXXUWDHTB-SNVBAGLBSA-N 1 1 390.228 2.218 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000582979949 652469497 /nfs/dbraw/zinc/46/94/97/652469497.db2.gz JKTNKLXXUWDHTB-SNVBAGLBSA-N 1 1 390.228 2.218 20 0 GEADMO COCC[N@@H+](C)C[C@@H](O)CN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000583003068 652470576 /nfs/dbraw/zinc/47/05/76/652470576.db2.gz TVRZYCMJVATDHV-OAHLLOKOSA-N 1 1 381.567 2.477 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000583009968 652470772 /nfs/dbraw/zinc/47/07/72/652470772.db2.gz NRQSGWAZCOMOPC-CYBMUJFWSA-N 1 1 384.322 2.056 20 0 GEADMO O=c1c(Br)nn(CN2CC[NH+](C3CCC3)CC2)c2ccccc12 ZINC000755744298 652474626 /nfs/dbraw/zinc/47/46/26/652474626.db2.gz OTYIXVPXRNLXKC-UHFFFAOYSA-N 1 1 377.286 2.287 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475228 /nfs/dbraw/zinc/47/52/28/652475228.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 1 1 379.302 2.390 20 0 GEADMO Cn1ccnc1[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787553 652476523 /nfs/dbraw/zinc/47/65/23/652476523.db2.gz APFGHLWSONXTLZ-LBPRGKRZSA-N 1 1 388.269 2.340 20 0 GEADMO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1scc(Br)c1Br ZINC000629166068 652480241 /nfs/dbraw/zinc/48/02/41/652480241.db2.gz QWTNTJNHGKCRNI-SSDOTTSWSA-N 1 1 398.120 2.070 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1scc(Br)c1Br ZINC000629166068 652480244 /nfs/dbraw/zinc/48/02/44/652480244.db2.gz QWTNTJNHGKCRNI-SSDOTTSWSA-N 1 1 398.120 2.070 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(I)c2)C1 ZINC000583405840 652483469 /nfs/dbraw/zinc/48/34/69/652483469.db2.gz CVWMMCYMZLEZTJ-ZDUSSCGKSA-N 1 1 389.237 2.133 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C[C@@H]1C ZINC000663122514 652483593 /nfs/dbraw/zinc/48/35/93/652483593.db2.gz RKXBZCAJTNMSIY-NSHDSACASA-N 1 1 379.511 2.066 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C[C@@H]1C ZINC000663122514 652483596 /nfs/dbraw/zinc/48/35/96/652483596.db2.gz RKXBZCAJTNMSIY-NSHDSACASA-N 1 1 379.511 2.066 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCO[C@]4(CCSC4)C3)CC2)cs1 ZINC000583443040 652485326 /nfs/dbraw/zinc/48/53/26/652485326.db2.gz VQFNBGSJKOLHFQ-GOSISDBHSA-N 1 1 381.567 2.398 20 0 GEADMO [NH3+]C[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@@H]1C(F)(F)F ZINC000629562946 652493626 /nfs/dbraw/zinc/49/36/26/652493626.db2.gz ORJVSEDNMIPSJP-KBPBESRZSA-N 1 1 375.460 2.482 20 0 GEADMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCNCC1 ZINC000629581887 652493757 /nfs/dbraw/zinc/49/37/57/652493757.db2.gz JCDMSTVDYRDCIL-HOCLYGCPSA-N 1 1 380.330 2.449 20 0 GEADMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCNCC1 ZINC000629581887 652493765 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CNC(=O)C[NH+]1CCC(NC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675439278 652926111 /nfs/dbraw/zinc/92/61/11/652926111.db2.gz WHPOIXHVUXLHJO-UHFFFAOYSA-N 1 1 396.329 2.098 20 0 GEADMO COc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)c(OC)n1 ZINC000639195619 652926235 /nfs/dbraw/zinc/92/62/35/652926235.db2.gz UMARPANLQWSKCR-UHFFFAOYSA-N 1 1 378.230 2.194 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC000639237645 652927435 /nfs/dbraw/zinc/92/74/35/652927435.db2.gz KTJYKURLAWLAEG-HNNXBMFYSA-N 1 1 389.315 2.099 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Br ZINC000639237645 652927441 /nfs/dbraw/zinc/92/74/41/652927441.db2.gz KTJYKURLAWLAEG-HNNXBMFYSA-N 1 1 389.315 2.099 20 0 GEADMO COc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cnc1Cl ZINC000767461636 652927762 /nfs/dbraw/zinc/92/77/62/652927762.db2.gz JZAWUINMNCLNAJ-CYBMUJFWSA-N 1 1 381.885 2.425 20 0 GEADMO CCOc1cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc(Br)c1O ZINC000639365700 652934446 /nfs/dbraw/zinc/93/44/46/652934446.db2.gz 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383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)cnc2Br)C[C@@H]1C ZINC000812987206 653451071 /nfs/dbraw/zinc/45/10/71/653451071.db2.gz KYSJPMDQOZHEML-NWDGAFQWSA-N 1 1 383.290 2.032 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cc1Br ZINC000778632842 653451247 /nfs/dbraw/zinc/45/12/47/653451247.db2.gz VTIFOLABPONAHJ-GFCCVEGCSA-N 1 1 398.301 2.387 20 0 GEADMO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000812992283 653452026 /nfs/dbraw/zinc/45/20/26/653452026.db2.gz ZVAMSAIIXFWWSN-UHFFFAOYSA-N 1 1 397.317 2.329 20 0 GEADMO CSc1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000859420494 653461241 /nfs/dbraw/zinc/46/12/41/653461241.db2.gz ZONLKUCREDUERE-OMDKTOEGSA-N 1 1 381.567 2.006 20 0 GEADMO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)CC2 ZINC000877093806 653466036 /nfs/dbraw/zinc/46/60/36/653466036.db2.gz FIPXXJAHPLZFAR-VIFPVBQESA-N 1 1 386.681 2.340 20 0 GEADMO COc1ncc(Br)cc1C[NH2+][C@@H](CCSC)C(=O)N(C)OC ZINC000877112164 653466356 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C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896526841 653882655 /nfs/dbraw/zinc/88/26/55/653882655.db2.gz LPVNFZAZLYUKIE-KUZCPNRJSA-N 1 1 394.357 2.477 20 0 GEADMO C[C@@H](NC(=O)C(F)(F)c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896534271 653883177 /nfs/dbraw/zinc/88/31/77/653883177.db2.gz TXAUITJDRIDTSS-BXUZGUMPSA-N 1 1 390.272 2.291 20 0 GEADMO C[C@H](NC(=O)c1cc2c(cncc2Br)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000896534301 653883189 /nfs/dbraw/zinc/88/31/89/653883189.db2.gz LRKLEIQAIQPIHR-GXFFZTMASA-N 1 1 397.342 2.423 20 0 GEADMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896534218 653883243 /nfs/dbraw/zinc/88/32/43/653883243.db2.gz KYPWMWWSUSICTL-KKBVYLPWSA-N 1 1 380.330 2.303 20 0 GEADMO C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896538577 653883673 /nfs/dbraw/zinc/88/36/73/653883673.db2.gz FLZTWNHFHGTNFR-SJCJKPOMSA-N 1 1 391.313 2.361 20 0 GEADMO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000846034333 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382.448 2.158 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]2C1 ZINC000896613342 653887957 /nfs/dbraw/zinc/88/79/57/653887957.db2.gz TXOODCLSOAFDOD-ZOWXZIJZSA-N 1 1 380.286 2.476 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3Br)C[C@@H]2C1 ZINC000793926500 653889136 /nfs/dbraw/zinc/88/91/36/653889136.db2.gz FGLLZXKHCXXMGU-KGLIPLIRSA-N 1 1 381.270 2.051 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2csc(I)n2)C1 ZINC000824291080 653890870 /nfs/dbraw/zinc/89/08/70/653890870.db2.gz YFXSMVBJHBBURE-SECBINFHSA-N 1 1 379.267 2.208 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000896696603 653891576 /nfs/dbraw/zinc/89/15/76/653891576.db2.gz INTQLAYZXBOLEP-ZIAGYGMSSA-N 1 1 382.306 2.013 20 0 GEADMO CN1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)=NC1=O ZINC000824380541 653893714 /nfs/dbraw/zinc/89/37/14/653893714.db2.gz PCLORDGQXOGDTI-UHFFFAOYSA-N 1 1 381.274 2.092 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000884950724 653897064 /nfs/dbraw/zinc/89/70/64/653897064.db2.gz QOTWUHATZYWYQP-RYUDHWBXSA-N 1 1 389.880 2.343 20 0 GEADMO Cc1cnc(Cl)c(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000884964672 653898890 /nfs/dbraw/zinc/89/88/90/653898890.db2.gz QRZWRAUYVZTWNA-UHFFFAOYSA-N 1 1 380.901 2.381 20 0 GEADMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000884990969 653903608 /nfs/dbraw/zinc/90/36/08/653903608.db2.gz ONOUXYMLPBCYDZ-OCCSQVGLSA-N 1 1 385.555 2.458 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccsc1 ZINC000846722162 653907672 /nfs/dbraw/zinc/90/76/72/653907672.db2.gz SBMJKFLKWQGYKG-DAXOMENPSA-N 1 1 375.897 2.288 20 0 GEADMO CC1(C)C[N@@H+](CCNc2ccc(Br)cc2-c2nn[nH]n2)CCO1 ZINC000824808090 653909239 /nfs/dbraw/zinc/90/92/39/653909239.db2.gz PKKZWCUOUWKFIO-UHFFFAOYSA-N 1 1 381.278 2.152 20 0 GEADMO CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccns1 ZINC000885073531 653910347 /nfs/dbraw/zinc/91/03/47/653910347.db2.gz HDLPWPCSXWLVJJ-CVEARBPZSA-N 1 1 386.587 2.101 20 0 GEADMO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccns1 ZINC000885073531 653910349 /nfs/dbraw/zinc/91/03/49/653910349.db2.gz HDLPWPCSXWLVJJ-CVEARBPZSA-N 1 1 386.587 2.101 20 0 GEADMO OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccnc2cc(Br)cnc21 ZINC000897218450 653910617 /nfs/dbraw/zinc/91/06/17/653910617.db2.gz CTCITGNMTHVLSG-CABCVRRESA-N 1 1 377.286 2.428 20 0 GEADMO CCOC(=O)c1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1Br ZINC000897219930 653911101 /nfs/dbraw/zinc/91/11/01/653911101.db2.gz QITNMRJYMQKNBD-KBPBESRZSA-N 1 1 398.301 2.056 20 0 GEADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000794711548 653917444 /nfs/dbraw/zinc/91/74/44/653917444.db2.gz IZRNXEQYPRHAOP-INIZCTEOSA-N 1 1 378.274 2.171 20 0 GEADMO O=C(Cc1cccnc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099634 653917575 /nfs/dbraw/zinc/91/75/75/653917575.db2.gz AXMVHBMVSZOZLN-UHFFFAOYSA-N 1 1 389.297 2.169 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000897460520 653922911 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CC1CCC(NC(=O)CN2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000891923143 654318758 /nfs/dbraw/zinc/31/87/58/654318758.db2.gz KULJRYRIECNMOY-OQGULXLBSA-N 1 1 386.378 2.472 20 0 GEADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853767815 654319983 /nfs/dbraw/zinc/31/99/83/654319983.db2.gz SACMLXBCECWHLL-INIZCTEOSA-N 1 1 394.313 2.146 20 0 GEADMO O=C1CC2(CCOCC2)[N@@H+](Cc2nc3cc(Br)ccc3o2)CCN1 ZINC000872284036 654321190 /nfs/dbraw/zinc/32/11/90/654321190.db2.gz HETTYMBCVIIQQW-UHFFFAOYSA-N 1 1 394.269 2.461 20 0 GEADMO C[C@@](CO)(NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984081 654322007 /nfs/dbraw/zinc/32/20/07/654322007.db2.gz PTHKJGCRNXFNLS-ACJLOTCBSA-N 1 1 396.329 2.440 20 0 GEADMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978801 654330496 /nfs/dbraw/zinc/33/04/96/654330496.db2.gz CUAVZWDWPIORCL-OAHLLOKOSA-N 1 1 388.965 2.080 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978801 654330497 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C[C@]1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCCC[NH2+]1 ZINC000180948029 532286498 /nfs/dbraw/zinc/28/64/98/532286498.db2.gz KLOPFONUOZVUEB-MRXNPFEDSA-N 1 1 378.274 2.383 20 0 GEADMO CCCC(=O)NCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000136840940 532287728 /nfs/dbraw/zinc/28/77/28/532287728.db2.gz MAHKWIRKNXKJRP-UHFFFAOYSA-N 1 1 396.329 2.446 20 0 GEADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CC12CC[NH2+]CC2 ZINC000137020614 532288617 /nfs/dbraw/zinc/28/86/17/532288617.db2.gz QRONUCWNULGYEE-CYBMUJFWSA-N 1 1 390.285 2.240 20 0 GEADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC000137020614 532288621 /nfs/dbraw/zinc/28/86/21/532288621.db2.gz QRONUCWNULGYEE-CYBMUJFWSA-N 1 1 390.285 2.240 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCc2ccccc2Br)cn1 ZINC000181355759 532296495 /nfs/dbraw/zinc/29/64/95/532296495.db2.gz ARQLKUBNRFMGAB-INIZCTEOSA-N 1 1 377.286 2.288 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000181373401 532296540 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Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(Br)c(F)c2)cn1 ZINC000181439354 532298534 /nfs/dbraw/zinc/29/85/34/532298534.db2.gz HESPXICXQITWQW-HNNXBMFYSA-N 1 1 381.249 2.037 20 0 GEADMO C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181468647 532299225 /nfs/dbraw/zinc/29/92/25/532299225.db2.gz GGTMJPPFNVHYIW-UONOGXRCSA-N 1 1 396.329 2.380 20 0 GEADMO O=C(CSCc1cc(-c2cccs2)on1)NCCC[NH+]1CCOCC1 ZINC000149591754 532299927 /nfs/dbraw/zinc/29/99/27/532299927.db2.gz FBDBPTAUYHPUOK-UHFFFAOYSA-N 1 1 381.523 2.475 20 0 GEADMO CS(=O)(=O)N1CCC[N@H+](CCCc2ccccc2Br)CC1 ZINC000181523503 532300124 /nfs/dbraw/zinc/30/01/24/532300124.db2.gz WOYDGNQVSOVKNJ-UHFFFAOYSA-N 1 1 375.332 2.349 20 0 GEADMO CS(=O)(=O)N1CCC[N@@H+](CCCc2ccccc2Br)CC1 ZINC000181523503 532300126 /nfs/dbraw/zinc/30/01/26/532300126.db2.gz WOYDGNQVSOVKNJ-UHFFFAOYSA-N 1 1 375.332 2.349 20 0 GEADMO C[C@@H](CNC(=O)c1csc(I)c1)C[NH+]1CCOCC1 ZINC000150721154 532301327 /nfs/dbraw/zinc/30/13/27/532301327.db2.gz LNEYUBYOPVJXNN-JTQLQIEISA-N 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CC[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000183020291 532321187 /nfs/dbraw/zinc/32/11/87/532321187.db2.gz VUEPIOWGUCCRIM-ZDUSSCGKSA-N 1 1 376.404 2.327 20 0 GEADMO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185238801 532337369 /nfs/dbraw/zinc/33/73/69/532337369.db2.gz LYWCOPTXCWLJAT-UHFFFAOYSA-N 1 1 382.507 2.403 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000185926702 532338999 /nfs/dbraw/zinc/33/89/99/532338999.db2.gz REUPAVXALYUMEN-AWEZNQCLSA-N 1 1 394.313 2.300 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000185924328 532339026 /nfs/dbraw/zinc/33/90/26/532339026.db2.gz YOAGDUZSMHUOCK-UHFFFAOYSA-N 1 1 393.315 2.423 20 0 GEADMO COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000186212395 532340147 /nfs/dbraw/zinc/34/01/47/532340147.db2.gz AHTFYQKVDXGMOC-CYBMUJFWSA-N 1 1 384.523 2.220 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186777162 532341896 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C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)[C@H](C)C1 ZINC000186935188 532342711 /nfs/dbraw/zinc/34/27/11/532342711.db2.gz XPJGJTRGEMUUKT-CHWSQXEVSA-N 1 1 387.343 2.455 20 0 GEADMO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186951714 532342841 /nfs/dbraw/zinc/34/28/41/532342841.db2.gz KIAQGDRTDUZHHW-UHFFFAOYSA-N 1 1 379.507 2.214 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000187100858 532343078 /nfs/dbraw/zinc/34/30/78/532343078.db2.gz WEPDPELUXLNAIU-UHFFFAOYSA-N 1 1 382.555 2.336 20 0 GEADMO Brc1ccc2nc(CN3CC[NH+](C[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000187131976 532343282 /nfs/dbraw/zinc/34/32/82/532343282.db2.gz VQRLYZWYJLPABG-CYBMUJFWSA-N 1 1 379.302 2.480 20 0 GEADMO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C[N@H+]1C1CC1 ZINC000183881064 532329717 /nfs/dbraw/zinc/32/97/17/532329717.db2.gz GXDMJVJHSZHPAQ-UWVGGRQHSA-N 1 1 394.269 2.135 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000184329383 532331891 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NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678261419 532392112 /nfs/dbraw/zinc/39/21/12/532392112.db2.gz QDHZOVACIIXWLT-AWEZNQCLSA-N 1 1 382.917 2.085 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000558536016 532393716 /nfs/dbraw/zinc/39/37/16/532393716.db2.gz QMTRTARHHBMYHG-GFCCVEGCSA-N 1 1 391.331 2.468 20 0 GEADMO Brc1c[nH+]ccc1NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000372483609 532394437 /nfs/dbraw/zinc/39/44/37/532394437.db2.gz VTBVENXPWASSBG-LBPRGKRZSA-N 1 1 388.273 2.032 20 0 GEADMO CCC1(CC)C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCS1 ZINC000464568355 532398849 /nfs/dbraw/zinc/39/88/49/532398849.db2.gz IRAZLXJOVBLGDQ-UHFFFAOYSA-N 1 1 385.555 2.270 20 0 GEADMO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678629816 532400112 /nfs/dbraw/zinc/40/01/12/532400112.db2.gz PPVQVJHHDUYWFU-KGLIPLIRSA-N 1 1 375.296 2.140 20 0 GEADMO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678629816 532400118 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NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000517404241 532417046 /nfs/dbraw/zinc/41/70/46/532417046.db2.gz MMFVUDNPURZQCE-HNNXBMFYSA-N 1 1 388.295 2.218 20 0 GEADMO Cc1nc(-c2cccs2)c(CC(=O)NCCC[NH+]2CCN(C)CC2)s1 ZINC000680489421 532415190 /nfs/dbraw/zinc/41/51/90/532415190.db2.gz YOFXIJJXQDJPLV-UHFFFAOYSA-N 1 1 378.567 2.476 20 0 GEADMO CC[N@@H+](CCNC(=O)c1ccc(CS(C)(=O)=O)cc1)CCC(F)(F)F ZINC000427214247 532415423 /nfs/dbraw/zinc/41/54/23/532415423.db2.gz XOLYMZIQJJOBSV-UHFFFAOYSA-N 1 1 380.432 2.235 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000591642194 532416184 /nfs/dbraw/zinc/41/61/84/532416184.db2.gz UPUTZZIBPHLSFE-UHFFFAOYSA-N 1 1 398.349 2.148 20 0 GEADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000591642194 532416194 /nfs/dbraw/zinc/41/61/94/532416194.db2.gz UPUTZZIBPHLSFE-UHFFFAOYSA-N 1 1 398.349 2.148 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000680580435 532417812 /nfs/dbraw/zinc/41/78/12/532417812.db2.gz 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O=S(=O)(Cc1c(F)cccc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000649697938 532422554 /nfs/dbraw/zinc/42/25/54/532422554.db2.gz CERUOFDXCFUJGT-AWEZNQCLSA-N 1 1 390.908 2.496 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000465964429 532421443 /nfs/dbraw/zinc/42/14/43/532421443.db2.gz ZVUJCOUDTFLBSK-ZDUSSCGKSA-N 1 1 377.819 2.461 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000465964428 532421463 /nfs/dbraw/zinc/42/14/63/532421463.db2.gz ZVUJCOUDTFLBSK-CYBMUJFWSA-N 1 1 377.819 2.461 20 0 GEADMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295221814 532421707 /nfs/dbraw/zinc/42/17/07/532421707.db2.gz BEXVABIHJKAFGF-JOYOIKCWSA-N 1 1 383.208 2.481 20 0 GEADMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295221814 532421713 /nfs/dbraw/zinc/42/17/13/532421713.db2.gz BEXVABIHJKAFGF-JOYOIKCWSA-N 1 1 383.208 2.481 20 0 GEADMO CSCCC[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000281247322 532421918 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O=C(Nc1cc(F)cc(Br)c1F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650164714 532438727 /nfs/dbraw/zinc/43/87/27/532438727.db2.gz SAQCHMTVSYAWEP-SNVBAGLBSA-N 1 1 376.201 2.010 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000650153108 532438772 /nfs/dbraw/zinc/43/87/72/532438772.db2.gz OYJRKLPBVSYNGW-IJLUTSLNSA-N 1 1 396.289 2.235 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467159414 532438894 /nfs/dbraw/zinc/43/88/94/532438894.db2.gz BIVWPOXIVYKCFS-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO O=C(Nc1nnc2ccc(Br)cn21)c1cc(C[NH+]2CCCC2)on1 ZINC000295360047 532438919 /nfs/dbraw/zinc/43/89/19/532438919.db2.gz CIYKHHRVAFQBRA-UHFFFAOYSA-N 1 1 391.229 2.328 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000650138021 532439302 /nfs/dbraw/zinc/43/93/02/532439302.db2.gz FMWRTEIIISCNHW-PBHICJAKSA-N 1 1 390.281 2.341 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@H](C)CO1 ZINC000467170244 532440204 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GEADMO COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000467290383 532443987 /nfs/dbraw/zinc/44/39/87/532443987.db2.gz IKDZBLPVMAPQSU-PKOBYXMFSA-N 1 1 393.325 2.444 20 0 GEADMO CCn1nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)ccc1=O ZINC000682427860 532445002 /nfs/dbraw/zinc/44/50/02/532445002.db2.gz IUNRQNGNDXWXHP-UHFFFAOYSA-N 1 1 379.258 2.340 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1F ZINC000467512552 532449203 /nfs/dbraw/zinc/44/92/03/532449203.db2.gz UKINUOSOCQHZFL-TVQRCGJNSA-N 1 1 377.279 2.349 20 0 GEADMO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627269249 532448394 /nfs/dbraw/zinc/44/83/94/532448394.db2.gz PEAFAUKHIWMMPP-WCXIOVBPSA-N 1 1 379.298 2.220 20 0 GEADMO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627269246 532448460 /nfs/dbraw/zinc/44/84/60/532448460.db2.gz PEAFAUKHIWMMPP-LTIDMASMSA-N 1 1 379.298 2.220 20 0 GEADMO COc1ccc(CCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000627272476 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Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCOC[C@H]1CO ZINC000683526139 532459950 /nfs/dbraw/zinc/45/99/50/532459950.db2.gz FTASCNJNXCQWMA-OAHLLOKOSA-N 1 1 385.302 2.478 20 0 GEADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCOC[C@H]1CO ZINC000683526139 532459954 /nfs/dbraw/zinc/45/99/54/532459954.db2.gz FTASCNJNXCQWMA-OAHLLOKOSA-N 1 1 385.302 2.478 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000428785509 532460195 /nfs/dbraw/zinc/46/01/95/532460195.db2.gz UQQLCLNSJZAYJC-IAQYHMDHSA-N 1 1 395.301 2.450 20 0 GEADMO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000519385001 532460668 /nfs/dbraw/zinc/46/06/68/532460668.db2.gz FJUNGRBRRQAEJL-NSHDSACASA-N 1 1 391.871 2.319 20 0 GEADMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccncc1I ZINC000592775353 532463555 /nfs/dbraw/zinc/46/35/55/532463555.db2.gz BIURLAUNUBAUIQ-JTQLQIEISA-N 1 1 384.221 2.457 20 0 GEADMO C[C@@H]1CC[N@H+](CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000519422442 532464822 /nfs/dbraw/zinc/46/48/22/532464822.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 1 378.274 2.192 20 0 GEADMO C[C@@H]1CC[N@@H+](CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000519422442 532464825 /nfs/dbraw/zinc/46/48/25/532464825.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 1 378.274 2.192 20 0 GEADMO C[C@@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000373723330 532464886 /nfs/dbraw/zinc/46/48/86/532464886.db2.gz DLINSGCXFCZQAH-UKRRQHHQSA-N 1 1 382.917 2.262 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000468474730 532465032 /nfs/dbraw/zinc/46/50/32/532465032.db2.gz IRKZNQVUPMDGQC-ZDUSSCGKSA-N 1 1 380.290 2.342 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(c2ncnc3cc(F)c(Br)cc32)[C@@H](C)C1 ZINC000519519986 532466543 /nfs/dbraw/zinc/46/65/43/532466543.db2.gz ZMGRYMAQQXEMSE-WDEREUQCSA-N 1 1 383.265 2.423 20 0 GEADMO CC1(C)C[N@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 ZINC000194899807 532462989 /nfs/dbraw/zinc/46/29/89/532462989.db2.gz AAEXFIMBAFNYQA-UHFFFAOYSA-N 1 1 385.302 2.445 20 0 GEADMO CC1(C)C[N@@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 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COc1cc(OC)c(NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000275152087 532866646 /nfs/dbraw/zinc/86/66/46/532866646.db2.gz XBAAEAYXPWAIGP-LLVKDONJSA-N 1 1 387.274 2.373 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)cc1Br ZINC000275188392 532868068 /nfs/dbraw/zinc/86/80/68/532868068.db2.gz ANGWOBFAYWUIAQ-UHFFFAOYSA-N 1 1 398.301 2.341 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCOc1cccc(Br)c1 ZINC000416289584 532869593 /nfs/dbraw/zinc/86/95/93/532869593.db2.gz FQTXXPOUGUOJRS-KBPBESRZSA-N 1 1 385.302 2.132 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416300618 532870085 /nfs/dbraw/zinc/87/00/85/532870085.db2.gz UFHRJVCDGICBGL-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416300618 532870086 /nfs/dbraw/zinc/87/00/86/532870086.db2.gz UFHRJVCDGICBGL-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[N@H+]1C ZINC000333538100 532870225 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385.302 2.130 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416317588 532871091 /nfs/dbraw/zinc/87/10/91/532871091.db2.gz XBRTYEGMMBKODL-RDBSUJKOSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@@H](NC1CC[NH+](CC(=O)N(C)C)CC1)c1ncc(Br)cc1F ZINC000275315956 532872129 /nfs/dbraw/zinc/87/21/29/532872129.db2.gz KFMLRLDEYMQOKC-LLVKDONJSA-N 1 1 387.297 2.186 20 0 GEADMO COc1cc(S(=O)(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1Cl ZINC000416365893 532872175 /nfs/dbraw/zinc/87/21/75/532872175.db2.gz BNVTVXYUDFRPFL-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO COc1cc(S(=O)(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1Cl ZINC000416365893 532872176 /nfs/dbraw/zinc/87/21/76/532872176.db2.gz BNVTVXYUDFRPFL-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C(F)F ZINC000416371295 532872705 /nfs/dbraw/zinc/87/27/05/532872705.db2.gz MJNCPMGAASUHEC-NSHDSACASA-N 1 1 378.470 2.309 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)c1nc2ccccc2cc1Br ZINC000290170815 532874449 /nfs/dbraw/zinc/87/44/49/532874449.db2.gz MTOAGRKDASLVPB-UHFFFAOYSA-N 1 1 378.270 2.449 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1nc2ccccc2cc1Br ZINC000290170815 532874450 /nfs/dbraw/zinc/87/44/50/532874450.db2.gz MTOAGRKDASLVPB-UHFFFAOYSA-N 1 1 378.270 2.449 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000290192072 532875095 /nfs/dbraw/zinc/87/50/95/532875095.db2.gz SYDLNMKZGJHKSW-GFCCVEGCSA-N 1 1 379.931 2.048 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3csc(Cl)n3)cc2)CC1 ZINC000275397565 532875108 /nfs/dbraw/zinc/87/51/08/532875108.db2.gz BKAVFBIXRGVNHA-UHFFFAOYSA-N 1 1 378.885 2.365 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000275546953 532878633 /nfs/dbraw/zinc/87/86/33/532878633.db2.gz BDHNNTXOCDCXHA-UHFFFAOYSA-N 1 1 391.273 2.413 20 0 GEADMO FC(F)(F)c1ccnc(NCC[NH2+]Cc2ncc(C3OCCO3)s2)n1 ZINC000290371766 532878961 /nfs/dbraw/zinc/87/89/61/532878961.db2.gz NLCKSUHNZNULTM-UHFFFAOYSA-N 1 1 375.376 2.199 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000275726128 532882462 /nfs/dbraw/zinc/88/24/62/532882462.db2.gz WTSFCCSRMUXWEV-SNVBAGLBSA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000275726128 532882464 /nfs/dbraw/zinc/88/24/64/532882464.db2.gz WTSFCCSRMUXWEV-SNVBAGLBSA-N 1 1 386.823 2.358 20 0 GEADMO Cc1cc(CNC(=O)c2cnn(C)c2Br)cc(N2CCCC2)[nH+]1 ZINC000290554275 532883843 /nfs/dbraw/zinc/88/38/43/532883843.db2.gz MUBGGFITCYZIST-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000275656474 532880705 /nfs/dbraw/zinc/88/07/05/532880705.db2.gz QJKSGHLKMVLWQZ-MRXNPFEDSA-N 1 1 382.302 2.458 20 0 GEADMO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000290618414 532885424 /nfs/dbraw/zinc/88/54/24/532885424.db2.gz DFWLASXNDZRTQK-CYBMUJFWSA-N 1 1 376.544 2.026 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000290618414 532885426 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CCN1CC[NH+]([C@H]2CCN(Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682888 532890765 /nfs/dbraw/zinc/89/07/65/532890765.db2.gz WSERYFMXDKNWJC-LBPRGKRZSA-N 1 1 379.858 2.304 20 0 GEADMO COCCOCCOCC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000276209124 532891341 /nfs/dbraw/zinc/89/13/41/532891341.db2.gz HKURZNZCXJLBHM-MRXNPFEDSA-N 1 1 376.291 2.094 20 0 GEADMO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360971418 532891958 /nfs/dbraw/zinc/89/19/58/532891958.db2.gz BQMSINSXPFSXRS-LLLHUVSDSA-N 1 1 378.314 2.392 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000290905934 532892310 /nfs/dbraw/zinc/89/23/10/532892310.db2.gz IFTRHKBJNNIMMA-GFCCVEGCSA-N 1 1 375.922 2.049 20 0 GEADMO O=C(c1cc(Cl)ncc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000290819951 532890460 /nfs/dbraw/zinc/89/04/60/532890460.db2.gz MBIIECJZIXOKJI-LLVKDONJSA-N 1 1 388.693 2.292 20 0 GEADMO COc1ccc(Br)cc1CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000360730589 532890679 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GEADMO O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000294095725 532935742 /nfs/dbraw/zinc/93/57/42/532935742.db2.gz JDGSJGUHFSFYCC-UHFFFAOYSA-N 1 1 393.285 2.038 20 0 GEADMO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000368803077 532934559 /nfs/dbraw/zinc/93/45/59/532934559.db2.gz VEKDAKRFJGRSSS-ZIAGYGMSSA-N 1 1 388.295 2.223 20 0 GEADMO O=C([C@H]1CCCN(c2ccc(Br)cn2)C1)N1CC[NH+](C2CC2)CC1 ZINC000368790590 532934600 /nfs/dbraw/zinc/93/46/00/532934600.db2.gz MPCPVWAAYJZIGL-AWEZNQCLSA-N 1 1 393.329 2.367 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369171382 532937325 /nfs/dbraw/zinc/93/73/25/532937325.db2.gz IIBITKCWRWNSRA-ZIAGYGMSSA-N 1 1 381.318 2.128 20 0 GEADMO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369288394 532937767 /nfs/dbraw/zinc/93/77/67/532937767.db2.gz QDHWFEAEQFWOJT-NEPJUHHUSA-N 1 1 379.309 2.276 20 0 GEADMO C[C@H](CO)[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000368965288 532936043 /nfs/dbraw/zinc/93/60/43/532936043.db2.gz SNPXMLLJNUXPRJ-KGLIPLIRSA-N 1 1 384.318 2.165 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000369547953 532940014 /nfs/dbraw/zinc/94/00/14/532940014.db2.gz DEEJFPJDUBXQSV-VXGBXAGGSA-N 1 1 388.331 2.388 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000369348704 532938767 /nfs/dbraw/zinc/93/87/67/532938767.db2.gz UWTMFDAXLSLQTF-HNNXBMFYSA-N 1 1 398.320 2.369 20 0 GEADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000294436600 532939179 /nfs/dbraw/zinc/93/91/79/532939179.db2.gz ATIOMWRDEUATIU-NSHDSACASA-N 1 1 380.703 2.388 20 0 GEADMO O=S1(=O)CC[C@H](C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000369490353 532939479 /nfs/dbraw/zinc/93/94/79/532939479.db2.gz NOFVBAPNPVRBCR-CYBMUJFWSA-N 1 1 377.432 2.047 20 0 GEADMO O=S1(=O)CC[C@H](C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000369490353 532939480 /nfs/dbraw/zinc/93/94/80/532939480.db2.gz NOFVBAPNPVRBCR-CYBMUJFWSA-N 1 1 377.432 2.047 20 0 GEADMO C[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CCN(c2cccnn2)CC1 ZINC000370432267 532943434 /nfs/dbraw/zinc/94/34/34/532943434.db2.gz BASXLGIPJZVNSJ-UHFFFAOYSA-N 1 1 379.917 2.409 20 0 GEADMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc(Br)nn3C)CC2)on1 ZINC000370453100 532943487 /nfs/dbraw/zinc/94/34/87/532943487.db2.gz PWOWXTQSFHKPIJ-UHFFFAOYSA-N 1 1 396.289 2.216 20 0 GEADMO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369985569 532941686 /nfs/dbraw/zinc/94/16/86/532941686.db2.gz OQEQOBFMCIDBNH-LLVKDONJSA-N 1 1 394.269 2.090 20 0 GEADMO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369985573 532941713 /nfs/dbraw/zinc/94/17/13/532941713.db2.gz OQEQOBFMCIDBNH-NSHDSACASA-N 1 1 394.269 2.090 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000370095609 532942178 /nfs/dbraw/zinc/94/21/78/532942178.db2.gz WNEFGSDUZYFFOP-RBSFLKMASA-N 1 1 383.945 2.028 20 0 GEADMO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370739855 532945100 /nfs/dbraw/zinc/94/51/00/532945100.db2.gz MGSXRBCROCOLEW-RYUDHWBXSA-N 1 1 384.249 2.270 20 0 GEADMO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370739853 532945163 /nfs/dbraw/zinc/94/51/63/532945163.db2.gz MGSXRBCROCOLEW-NEPJUHHUSA-N 1 1 384.249 2.270 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000370561626 532944260 /nfs/dbraw/zinc/94/42/60/532944260.db2.gz NSJCTUFJHVRAQS-UHFFFAOYSA-N 1 1 382.917 2.279 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000370561626 532944261 /nfs/dbraw/zinc/94/42/61/532944261.db2.gz NSJCTUFJHVRAQS-UHFFFAOYSA-N 1 1 382.917 2.279 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371362953 532947617 /nfs/dbraw/zinc/94/76/17/532947617.db2.gz BEPNUXDSMQIOAV-UONOGXRCSA-N 1 1 390.285 2.386 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C(=O)Nc1cccc(Cl)c1Cl ZINC000371350898 532947666 /nfs/dbraw/zinc/94/76/66/532947666.db2.gz BHMYMOLVOAVVCO-NWDGAFQWSA-N 1 1 386.279 2.301 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C(=O)Nc1cccc(Cl)c1Cl ZINC000371350898 532947667 /nfs/dbraw/zinc/94/76/67/532947667.db2.gz BHMYMOLVOAVVCO-NWDGAFQWSA-N 1 1 386.279 2.301 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000371511979 532948407 /nfs/dbraw/zinc/94/84/07/532948407.db2.gz UMPNROKGLJALBO-INIZCTEOSA-N 1 1 384.307 2.477 20 0 GEADMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371619018 532949047 /nfs/dbraw/zinc/94/90/47/532949047.db2.gz NKSIISMJWJGWNO-ZDUSSCGKSA-N 1 1 381.929 2.342 20 0 GEADMO CN(C(=O)c1cc(Br)cn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371627853 532949156 /nfs/dbraw/zinc/94/91/56/532949156.db2.gz NCAMQXHAGZMOTI-HNNXBMFYSA-N 1 1 383.334 2.028 20 0 GEADMO CN(C(=O)c1cc(Br)cn1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371627853 532949157 /nfs/dbraw/zinc/94/91/57/532949157.db2.gz NCAMQXHAGZMOTI-HNNXBMFYSA-N 1 1 383.334 2.028 20 0 GEADMO O=C(c1ccc(Br)cc1-n1cncn1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371165752 532947119 /nfs/dbraw/zinc/94/71/19/532947119.db2.gz WAEVMVKUGYGYQW-CQSZACIVSA-N 1 1 390.285 2.340 20 0 GEADMO Cn1cc([C@@H]2[C@H](CNS(=O)(=O)c3ccccc3Cl)CCC[N@@H+]2C)cn1 ZINC000371738585 532949574 /nfs/dbraw/zinc/94/95/74/532949574.db2.gz FGQHXJFEHNQEPU-GUYCJALGSA-N 1 1 382.917 2.435 20 0 GEADMO Cn1cc([C@@H]2[C@H](CNS(=O)(=O)c3ccccc3Cl)CCC[N@H+]2C)cn1 ZINC000371738585 532949575 /nfs/dbraw/zinc/94/95/75/532949575.db2.gz FGQHXJFEHNQEPU-GUYCJALGSA-N 1 1 382.917 2.435 20 0 GEADMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)[C@@H]1c1cnn(C)c1 ZINC000408474878 570466914 /nfs/dbraw/zinc/46/69/14/570466914.db2.gz WHTKJACEERRCBJ-PBWTXFEYSA-N 1 1 377.533 2.402 20 0 GEADMO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(c3nc4cc(F)ccc4o3)C2)cc(=O)[nH]1 ZINC000275574394 570696749 /nfs/dbraw/zinc/69/67/49/570696749.db2.gz GZILBJONUZHIGK-CQSZACIVSA-N 1 1 386.431 2.239 20 0 GEADMO CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(c3nc4cc(F)ccc4o3)C2)cc(=O)[nH]1 ZINC000275574394 570696753 /nfs/dbraw/zinc/69/67/53/570696753.db2.gz 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CCc1[nH+]ccn1[C@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705175 598861787 /nfs/dbraw/zinc/86/17/87/598861787.db2.gz FWUVRBMOHQZXKO-WMZOPIPTSA-N 1 1 395.467 2.177 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267156 598870949 /nfs/dbraw/zinc/87/09/49/598870949.db2.gz MBQKBUIMIMKGCE-IRXDYDNUSA-N 1 1 397.527 2.392 20 0 GEADMO O=C(C[N@H+](CCO)[C@H]1CCCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737866285 598897947 /nfs/dbraw/zinc/89/79/47/598897947.db2.gz YNUPOABHLHTNRM-IBGZPJMESA-N 1 1 392.463 2.177 20 0 GEADMO COC(=O)CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000736913829 598899499 /nfs/dbraw/zinc/89/94/99/598899499.db2.gz XBDSXPONVQBOSI-UHFFFAOYSA-N 1 1 394.863 2.122 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736860810 598906834 /nfs/dbraw/zinc/90/68/34/598906834.db2.gz WRNGLQTWCPMXDW-OAHLLOKOSA-N 1 1 397.508 2.489 20 0 GEADMO CC(C)[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735699953 598907520 /nfs/dbraw/zinc/90/75/20/598907520.db2.gz DOVSAJRVAAXICL-MRXNPFEDSA-N 1 1 385.516 2.376 20 0 GEADMO CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510743 598915548 /nfs/dbraw/zinc/91/55/48/598915548.db2.gz INXGYDAZUQWQKI-MRXNPFEDSA-N 1 1 399.543 2.239 20 0 GEADMO OC[C@]1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000738392415 598917635 /nfs/dbraw/zinc/91/76/35/598917635.db2.gz DATRQGIRIIOOHC-NRFANRHFSA-N 1 1 396.470 2.123 20 0 GEADMO OC[C@]1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000738392415 598917637 /nfs/dbraw/zinc/91/76/37/598917637.db2.gz DATRQGIRIIOOHC-NRFANRHFSA-N 1 1 396.470 2.123 20 0 GEADMO CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000736731357 598923378 /nfs/dbraw/zinc/92/33/78/598923378.db2.gz ANSYYCYNSKZKKQ-LJQANCHMSA-N 1 1 392.463 2.121 20 0 GEADMO CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000736731357 598923380 /nfs/dbraw/zinc/92/33/80/598923380.db2.gz 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C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821625870 599544818 /nfs/dbraw/zinc/54/48/18/599544818.db2.gz XGSOCVMUCWCAKJ-INIZCTEOSA-N 1 1 392.511 2.021 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC3(O)Cc4ccccc4C3)c2c1 ZINC000822195483 599566781 /nfs/dbraw/zinc/56/67/81/599566781.db2.gz SUYCBRJCFZAYLY-UHFFFAOYSA-N 1 1 386.459 2.395 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCCOC[C@@H]3CCOC3)c2c1 ZINC000822195104 599569266 /nfs/dbraw/zinc/56/92/66/599569266.db2.gz HGJPFUHYIXDPHM-HNNXBMFYSA-N 1 1 382.468 2.309 20 0 GEADMO CCc1cnc(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821499269 599580491 /nfs/dbraw/zinc/58/04/91/599580491.db2.gz GZJXXPSYUYSNTO-UHFFFAOYSA-N 1 1 385.497 2.087 20 0 GEADMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2nn[nH]n2)c1 ZINC000737649633 599586811 /nfs/dbraw/zinc/58/68/11/599586811.db2.gz NPGOPOTVWHZWBV-AWEZNQCLSA-N 1 1 378.415 2.428 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000819940229 599588740 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/nfs/dbraw/zinc/03/83/23/607038323.db2.gz GLPGIAUMVXBCPT-UHFFFAOYSA-N 1 1 398.442 2.215 20 0 GEADMO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000819933293 607060153 /nfs/dbraw/zinc/06/01/53/607060153.db2.gz MPJCWVWVMYOAGX-UHFFFAOYSA-N 1 1 376.436 2.449 20 0 GEADMO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000819933293 607060154 /nfs/dbraw/zinc/06/01/54/607060154.db2.gz MPJCWVWVMYOAGX-UHFFFAOYSA-N 1 1 376.436 2.449 20 0 GEADMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3cc(F)ccc3-c3nn[nH]n3)C2)nn1 ZINC000822241529 607064918 /nfs/dbraw/zinc/06/49/18/607064918.db2.gz YWAGRILYFPRQOP-MRXNPFEDSA-N 1 1 382.447 2.205 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(C(=O)CSCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625603 607071727 /nfs/dbraw/zinc/07/17/27/607071727.db2.gz RPCRJMIUOQDZPJ-IRXDYDNUSA-N 1 1 386.525 2.043 20 0 GEADMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820300054 607102711 /nfs/dbraw/zinc/10/27/11/607102711.db2.gz NJCLNSWWDXXAGM-CQSZACIVSA-N 1 1 380.452 2.464 20 0 GEADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821623719 607192952 /nfs/dbraw/zinc/19/29/52/607192952.db2.gz RDMDPTOJBGEFLN-MJGOQNOKSA-N 1 1 398.511 2.359 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)c1 ZINC000821164346 607233759 /nfs/dbraw/zinc/23/37/59/607233759.db2.gz COLOZZUNPKGNKC-UHFFFAOYSA-N 1 1 385.859 2.297 20 0 GEADMO C[C@@H]1C[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)cn2C)C[N@H+]1Cc1ccccc1 ZINC000824874843 607795361 /nfs/dbraw/zinc/79/53/61/607795361.db2.gz GQTBSEQBCVMRGB-WBVHZDCISA-N 1 1 393.495 2.236 20 0 GEADMO c1ccc2c(c1)CC[C@@]21C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826517722 607803446 /nfs/dbraw/zinc/80/34/46/607803446.db2.gz MQTOCXQLISULDR-OAQYLSRUSA-N 1 1 377.448 2.419 20 0 GEADMO c1ccc2c(c1)CC[C@@]21C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826517722 607803447 /nfs/dbraw/zinc/80/34/47/607803447.db2.gz MQTOCXQLISULDR-OAQYLSRUSA-N 1 1 377.448 2.419 20 0 GEADMO O[C@@H](C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502544 607803539 /nfs/dbraw/zinc/80/35/39/607803539.db2.gz FVEMLCMICIZWEO-PZJWPPBQSA-N 1 1 377.448 2.074 20 0 GEADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000825981910 607824929 /nfs/dbraw/zinc/82/49/29/607824929.db2.gz ZWTJHGLDSCYDND-UHFFFAOYSA-N 1 1 394.479 2.272 20 0 GEADMO CC(C)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824213566 607827617 /nfs/dbraw/zinc/82/76/17/607827617.db2.gz BXDHJUPXLIKJCJ-HNNXBMFYSA-N 1 1 377.514 2.399 20 0 GEADMO CC[N@H+](CCc1cccs1)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825429162 607827890 /nfs/dbraw/zinc/82/78/90/607827890.db2.gz XRNTVKXKWVEAIK-UHFFFAOYSA-N 1 1 391.522 2.267 20 0 GEADMO CC[N@@H+](CCc1cccs1)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825429162 607827891 /nfs/dbraw/zinc/82/78/91/607827891.db2.gz XRNTVKXKWVEAIK-UHFFFAOYSA-N 1 1 391.522 2.267 20 0 GEADMO CC(C)(C)C1CC[NH+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824077729 607828696 /nfs/dbraw/zinc/82/86/96/607828696.db2.gz FCPSCCSBBGVLQR-UHFFFAOYSA-N 1 1 377.514 2.399 20 0 GEADMO CC(C)[N@@H+](CCc1nccs1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824293317 607831299 /nfs/dbraw/zinc/83/12/99/607831299.db2.gz JQYMYGHOVQTVLR-HNNXBMFYSA-N 1 1 388.497 2.016 20 0 GEADMO O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000826469162 607834679 /nfs/dbraw/zinc/83/46/79/607834679.db2.gz WUYFZBURFWEMKI-LLVKDONJSA-N 1 1 381.267 2.484 20 0 GEADMO O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000826469162 607834680 /nfs/dbraw/zinc/83/46/80/607834680.db2.gz WUYFZBURFWEMKI-LLVKDONJSA-N 1 1 381.267 2.484 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CC[C@H](C4CCOCC4)C3)o2)c1 ZINC000826512567 607859316 /nfs/dbraw/zinc/85/93/16/607859316.db2.gz FXOZVFURNKCKKH-INIZCTEOSA-N 1 1 381.440 2.165 20 0 GEADMO Cc1cc(-c2nn[nH]n2)cc(C)c1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000826243111 607874109 /nfs/dbraw/zinc/87/41/09/607874109.db2.gz UTNVRFJEGKPEGP-LJQANCHMSA-N 1 1 379.464 2.282 20 0 GEADMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824977369 607913317 /nfs/dbraw/zinc/91/33/17/607913317.db2.gz QQPWWZWOHLDEJP-ZIAGYGMSSA-N 1 1 396.451 2.203 20 0 GEADMO COCC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826159778 607920615 /nfs/dbraw/zinc/92/06/15/607920615.db2.gz RITKJQOZTWEUTK-UHFFFAOYSA-N 1 1 387.465 2.363 20 0 GEADMO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825140068 607930789 /nfs/dbraw/zinc/93/07/89/607930789.db2.gz JDKGGDKMCGOJRR-CVEARBPZSA-N 1 1 381.440 2.318 20 0 GEADMO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1c(C)noc1C ZINC000825139154 607930812 /nfs/dbraw/zinc/93/08/12/607930812.db2.gz CJUDMGZYEGHMID-OLZOCXBDSA-N 1 1 387.469 2.379 20 0 GEADMO CCc1[nH+]ccn1CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000825754529 607932642 /nfs/dbraw/zinc/93/26/42/607932642.db2.gz BBMWNTUTLKKMMM-UHFFFAOYSA-N 1 1 394.439 2.324 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029349 607978748 /nfs/dbraw/zinc/97/87/48/607978748.db2.gz RECKEDUHIIBGES-ROUUACIJSA-N 1 1 377.452 2.111 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826028507 607978840 /nfs/dbraw/zinc/97/88/40/607978840.db2.gz BLILMSQISGGJLT-QZTJIDSGSA-N 1 1 377.452 2.111 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1c1ccccc1 ZINC000826029097 607979479 /nfs/dbraw/zinc/97/94/79/607979479.db2.gz OEKDIQDXQZQBCF-MSOLQXFVSA-N 1 1 395.442 2.250 20 0 GEADMO CCC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCO1 ZINC000825255611 607992813 /nfs/dbraw/zinc/99/28/13/607992813.db2.gz XVBGMEVBUUCSIZ-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCO1 ZINC000825255611 607992814 /nfs/dbraw/zinc/99/28/14/607992814.db2.gz XVBGMEVBUUCSIZ-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029546 608007008 /nfs/dbraw/zinc/00/70/08/608007008.db2.gz SXRXRZHMPHVPCO-WBVHZDCISA-N 1 1 384.390 2.320 20 0 GEADMO Cc1ccc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1C ZINC000826292472 608035123 /nfs/dbraw/zinc/03/51/23/608035123.db2.gz WCDCDJQLHYFDFX-UHFFFAOYSA-N 1 1 384.488 2.122 20 0 GEADMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(Cl)c2cccnc12 ZINC000825935203 608036709 /nfs/dbraw/zinc/03/67/09/608036709.db2.gz WWYDKKLSOCUOKK-UHFFFAOYSA-N 1 1 397.874 2.438 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000824051833 608043706 /nfs/dbraw/zinc/04/37/06/608043706.db2.gz GDJSGVJUSLMTRW-BDAKNGLRSA-N 1 1 382.440 2.331 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@H](C(F)F)C1 ZINC000824051833 608043707 /nfs/dbraw/zinc/04/37/07/608043707.db2.gz GDJSGVJUSLMTRW-BDAKNGLRSA-N 1 1 382.440 2.331 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000824051834 608043928 /nfs/dbraw/zinc/04/39/28/608043928.db2.gz GDJSGVJUSLMTRW-DTWKUNHWSA-N 1 1 382.440 2.331 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000824051834 608043929 /nfs/dbraw/zinc/04/39/29/608043929.db2.gz GDJSGVJUSLMTRW-DTWKUNHWSA-N 1 1 382.440 2.331 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000824261332 608046963 /nfs/dbraw/zinc/04/69/63/608046963.db2.gz IHAKFRAXOQJAJB-CYBMUJFWSA-N 1 1 395.305 2.398 20 0 GEADMO COC1CC[NH+](CCNc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826146989 608050846 /nfs/dbraw/zinc/05/08/46/608050846.db2.gz KPCGAVDGLZOYHY-UHFFFAOYSA-N 1 1 381.278 2.152 20 0 GEADMO CN(C(=O)CC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000825818066 608070283 /nfs/dbraw/zinc/07/02/83/608070283.db2.gz UTNOXEBICDEHHA-IBGZPJMESA-N 1 1 392.463 2.293 20 0 GEADMO CN(C(=O)CC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000825818066 608070284 /nfs/dbraw/zinc/07/02/84/608070284.db2.gz UTNOXEBICDEHHA-IBGZPJMESA-N 1 1 392.463 2.293 20 0 GEADMO C[NH+](C)[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000825851981 608080073 /nfs/dbraw/zinc/08/00/73/608080073.db2.gz ZMUCMUYFMGKMCE-OALUTQOASA-N 1 1 392.463 2.070 20 0 GEADMO C[NH+](C)[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000825851983 608080232 /nfs/dbraw/zinc/08/02/32/608080232.db2.gz ZMUCMUYFMGKMCE-RTBURBONSA-N 1 1 392.463 2.070 20 0 GEADMO Cc1cccc([C@H]2CC[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297297 608127520 /nfs/dbraw/zinc/12/75/20/608127520.db2.gz AXRXITUJBJDCCS-IBGZPJMESA-N 1 1 376.464 2.281 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000824045610 608128116 /nfs/dbraw/zinc/12/81/16/608128116.db2.gz NFDJFTCVPLKNET-BBRMVZONSA-N 1 1 396.426 2.486 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000824045610 608128117 /nfs/dbraw/zinc/12/81/17/608128117.db2.gz NFDJFTCVPLKNET-BBRMVZONSA-N 1 1 396.426 2.486 20 0 GEADMO O=C(C=C1CCSCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826400186 608220748 /nfs/dbraw/zinc/22/07/48/608220748.db2.gz RKTMTIZLKZSMJV-UHFFFAOYSA-N 1 1 398.536 2.354 20 0 GEADMO COc1ccc(COCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000826206584 608239609 /nfs/dbraw/zinc/23/96/09/608239609.db2.gz BUEGMPCNZFULJL-UHFFFAOYSA-N 1 1 376.420 2.474 20 0 GEADMO Cn1ccc(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)n1 ZINC000826363530 608243650 /nfs/dbraw/zinc/24/36/50/608243650.db2.gz QNCGWFYRMNLMIH-UHFFFAOYSA-N 1 1 375.436 2.469 20 0 GEADMO Cn1ccc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n1 ZINC000826363531 608243764 /nfs/dbraw/zinc/24/37/64/608243764.db2.gz QOJKXZJVWOKFIY-UHFFFAOYSA-N 1 1 375.436 2.469 20 0 GEADMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824406385 608267344 /nfs/dbraw/zinc/26/73/44/608267344.db2.gz INCGVRZIVMZYEF-INIZCTEOSA-N 1 1 394.479 2.468 20 0 GEADMO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c(-c2nn[nH]n2)c1C ZINC000826341378 608269270 /nfs/dbraw/zinc/26/92/70/608269270.db2.gz GHCXBPXSYVFAGL-CYBMUJFWSA-N 1 1 398.467 2.288 20 0 GEADMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c(-c2nn[nH]n2)c1C ZINC000826341378 608269272 /nfs/dbraw/zinc/26/92/72/608269272.db2.gz GHCXBPXSYVFAGL-CYBMUJFWSA-N 1 1 398.467 2.288 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1C ZINC000825443732 608281451 /nfs/dbraw/zinc/28/14/51/608281451.db2.gz FBPDUOJYMIFGFS-QWRGUYRKSA-N 1 1 395.414 2.415 20 0 GEADMO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000824771648 608287968 /nfs/dbraw/zinc/28/79/68/608287968.db2.gz RYKODYWQOZGERE-OAHLLOKOSA-N 1 1 390.495 2.419 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826331890 608316626 /nfs/dbraw/zinc/31/66/26/608316626.db2.gz BVCFVPZFKNFWLA-DOTOQJQBSA-N 1 1 379.468 2.362 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826331890 608316628 /nfs/dbraw/zinc/31/66/28/608316628.db2.gz BVCFVPZFKNFWLA-DOTOQJQBSA-N 1 1 379.468 2.362 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2nccs2)c1-c1nn[nH]n1 ZINC000826332173 608317776 /nfs/dbraw/zinc/31/77/76/608317776.db2.gz LUOJWCSVOJHOKP-UHFFFAOYSA-N 1 1 380.481 2.492 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407645 608326503 /nfs/dbraw/zinc/32/65/03/608326503.db2.gz VRKHNGJEDIXIEQ-HOTGVXAUSA-N 1 1 384.484 2.334 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407396 608326800 /nfs/dbraw/zinc/32/68/00/608326800.db2.gz LTZZJGKJKWDMAB-JKSUJKDBSA-N 1 1 384.484 2.334 20 0 GEADMO COc1cccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)c1 ZINC000826216924 608353820 /nfs/dbraw/zinc/35/38/20/608353820.db2.gz RYSAEDHMVUAYGC-UHFFFAOYSA-N 1 1 380.452 2.206 20 0 GEADMO Cc1sc(NC(=O)CN2CCC3(CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1C ZINC000826349718 608383270 /nfs/dbraw/zinc/38/32/70/608383270.db2.gz RWWGTKYBENJWSM-UHFFFAOYSA-N 1 1 389.529 2.044 20 0 GEADMO Cc1cc(C2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000826265996 608384393 /nfs/dbraw/zinc/38/43/93/608384393.db2.gz XUZKIBAIELJYDJ-UHFFFAOYSA-N 1 1 380.456 2.106 20 0 GEADMO Fc1c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cccc1-c1nn[nH]n1 ZINC000826371263 608397102 /nfs/dbraw/zinc/39/71/02/608397102.db2.gz YUMKJXNZTGXLEA-CQSZACIVSA-N 1 1 378.415 2.428 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000825220226 608409522 /nfs/dbraw/zinc/40/95/22/608409522.db2.gz QPYYQQUVWNLYGT-KBPBESRZSA-N 1 1 389.529 2.042 20 0 GEADMO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1n1ccnc1 ZINC000824962305 608453293 /nfs/dbraw/zinc/45/32/93/608453293.db2.gz SEZSPJXWXFFGAC-BBRMVZONSA-N 1 1 391.439 2.196 20 0 GEADMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1n1ccnc1 ZINC000824962305 608453294 /nfs/dbraw/zinc/45/32/94/608453294.db2.gz SEZSPJXWXFFGAC-BBRMVZONSA-N 1 1 391.439 2.196 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000826170209 608459306 /nfs/dbraw/zinc/45/93/06/608459306.db2.gz RUQVGTQZUPLZFJ-UHFFFAOYSA-N 1 1 386.500 2.440 20 0 GEADMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826390421 608501168 /nfs/dbraw/zinc/50/11/68/608501168.db2.gz ZGSPDZNWTGQRMD-IBGZPJMESA-N 1 1 392.463 2.286 20 0 GEADMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826390421 608501169 /nfs/dbraw/zinc/50/11/69/608501169.db2.gz ZGSPDZNWTGQRMD-IBGZPJMESA-N 1 1 392.463 2.286 20 0 GEADMO C[N@H+](CC(=O)NC1CC1)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825892528 608504663 /nfs/dbraw/zinc/50/46/63/608504663.db2.gz OBLCMHLGGXTXCB-UHFFFAOYSA-N 1 1 392.463 2.156 20 0 GEADMO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825892528 608504665 /nfs/dbraw/zinc/50/46/65/608504665.db2.gz OBLCMHLGGXTXCB-UHFFFAOYSA-N 1 1 392.463 2.156 20 0 GEADMO CC1(C)Cc2cccc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2O1 ZINC000824813285 608508473 /nfs/dbraw/zinc/50/84/73/608508473.db2.gz XLSIKYPJQVTPRE-UHFFFAOYSA-N 1 1 391.479 2.297 20 0 GEADMO CC1(C)Cc2cc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)ccc2O1 ZINC000824811790 608509921 /nfs/dbraw/zinc/50/99/21/608509921.db2.gz CGWFPAJOSCESGM-UHFFFAOYSA-N 1 1 391.479 2.297 20 0 GEADMO CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825991905 608514955 /nfs/dbraw/zinc/51/49/55/608514955.db2.gz LHZQKOZDTHMIJY-SFHVURJKSA-N 1 1 388.479 2.221 20 0 GEADMO Cc1ccc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1C ZINC000826290577 608515197 /nfs/dbraw/zinc/51/51/97/608515197.db2.gz QRUWXCUOUDGDKH-UHFFFAOYSA-N 1 1 388.479 2.453 20 0 GEADMO c1ccc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000826516064 608516055 /nfs/dbraw/zinc/51/60/55/608516055.db2.gz VSKOCLRUNJXMQK-UHFFFAOYSA-N 1 1 392.463 2.350 20 0 GEADMO COc1ccc(C[N@H+]2CCCN(c3nc(-c4nn[nH]n4)ccc3C)CC2)cc1 ZINC000826194253 608542135 /nfs/dbraw/zinc/54/21/35/608542135.db2.gz GYIYDCKHYAXHIW-UHFFFAOYSA-N 1 1 379.468 2.291 20 0 GEADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)nc1 ZINC000826290260 608559974 /nfs/dbraw/zinc/55/99/74/608559974.db2.gz HEBQYRZBZPHDFG-ZDUSSCGKSA-N 1 1 383.481 2.482 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824909800 608607906 /nfs/dbraw/zinc/60/79/06/608607906.db2.gz UYJPVHGWJRUDKY-UXLLHSPISA-N 1 1 380.500 2.352 20 0 GEADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000824975455 608634589 /nfs/dbraw/zinc/63/45/89/608634589.db2.gz KIODZNDJVIOVPA-KBPBESRZSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000824975455 608634591 /nfs/dbraw/zinc/63/45/91/608634591.db2.gz KIODZNDJVIOVPA-KBPBESRZSA-N 1 1 396.451 2.203 20 0 GEADMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825938707 608717299 /nfs/dbraw/zinc/71/72/99/608717299.db2.gz WWADHBUBNARXBQ-UHFFFAOYSA-N 1 1 383.525 2.182 20 0 GEADMO CCN1CC[NH+](Cc2ccc(CNc3cnccc3-c3nn[nH]n3)cc2)CC1 ZINC000825459414 608774026 /nfs/dbraw/zinc/77/40/26/608774026.db2.gz KIZIDNHAIJNGQZ-UHFFFAOYSA-N 1 1 378.484 2.011 20 0 GEADMO O[C@@H](C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502353 608802817 /nfs/dbraw/zinc/80/28/17/608802817.db2.gz BMFIJGIUKADTML-PXNSSMCTSA-N 1 1 389.463 2.414 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502355 608803271 /nfs/dbraw/zinc/80/32/71/608803271.db2.gz BMFIJGIUKADTML-YLJYHZDGSA-N 1 1 389.463 2.414 20 0 GEADMO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000824329376 608815988 /nfs/dbraw/zinc/81/59/88/608815988.db2.gz NVECQCYGLRHTLC-HIFRSBDPSA-N 1 1 385.472 2.354 20 0 GEADMO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1coc2ccccc12 ZINC000824999832 608834268 /nfs/dbraw/zinc/83/42/68/608834268.db2.gz KMCPPGWHJYGSLA-ZDUSSCGKSA-N 1 1 376.424 2.114 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000826334765 609160294 /nfs/dbraw/zinc/16/02/94/609160294.db2.gz IRUOYFXKPFFSMT-GOSISDBHSA-N 1 1 394.483 2.282 20 0 GEADMO CC[C@@H]1C[C@@H](C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000825183769 609171520 /nfs/dbraw/zinc/17/15/20/609171520.db2.gz PRPTWEKVTSFHKV-DZGCQCFKSA-N 1 1 387.488 2.059 20 0 GEADMO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826468929 609227418 /nfs/dbraw/zinc/22/74/18/609227418.db2.gz NHUTXFBFTCCXAK-QFBILLFUSA-N 1 1 391.479 2.322 20 0 GEADMO Cc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)c(N2CCCC2)[nH+]1 ZINC000826287877 609284243 /nfs/dbraw/zinc/28/42/43/609284243.db2.gz HNZZBFYNJWZGID-KHPPLWFESA-N 1 1 389.463 2.500 20 0 GEADMO Cc1ccc(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c(N2CCCC2)[nH+]1 ZINC000826287928 609284387 /nfs/dbraw/zinc/28/43/87/609284387.db2.gz JSTGADUNYJGBGA-UHFFFAOYSA-N 1 1 391.479 2.419 20 0 GEADMO C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498133 609298668 /nfs/dbraw/zinc/29/86/68/609298668.db2.gz CDHJTMVHBLHNRE-RHSMWYFYSA-N 1 1 383.500 2.319 20 0 GEADMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825328735 609312966 /nfs/dbraw/zinc/31/29/66/609312966.db2.gz WQPPLQIWBSCXLH-CQSZACIVSA-N 1 1 384.419 2.004 20 0 GEADMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530461 609334280 /nfs/dbraw/zinc/33/42/80/609334280.db2.gz LVNYARNGCVJMBU-SCLBCKFNSA-N 1 1 382.443 2.356 20 0 GEADMO CC1CC[NH+](CCNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824957223 609336809 /nfs/dbraw/zinc/33/68/09/609336809.db2.gz WTIYLINTYCPSGY-UHFFFAOYSA-N 1 1 380.500 2.089 20 0 GEADMO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579473 609337226 /nfs/dbraw/zinc/33/72/26/609337226.db2.gz ZNBORXHKXZQDFS-YCRPNKLZSA-N 1 1 396.470 2.293 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000823821304 609362162 /nfs/dbraw/zinc/36/21/62/609362162.db2.gz SCWRYWCRGXRWDE-UONOGXRCSA-N 1 1 396.314 2.336 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000823821304 609362164 /nfs/dbraw/zinc/36/21/64/609362164.db2.gz SCWRYWCRGXRWDE-UONOGXRCSA-N 1 1 396.314 2.336 20 0 GEADMO Cc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000826297466 609364471 /nfs/dbraw/zinc/36/44/71/609364471.db2.gz JAWGFBJIXKJMNE-INIZCTEOSA-N 1 1 378.484 2.108 20 0 GEADMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825604237 609366694 /nfs/dbraw/zinc/36/66/94/609366694.db2.gz FRONFXWZMHUWGB-AWEZNQCLSA-N 1 1 396.289 2.257 20 0 GEADMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825604237 609366695 /nfs/dbraw/zinc/36/66/95/609366695.db2.gz FRONFXWZMHUWGB-AWEZNQCLSA-N 1 1 396.289 2.257 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCO1 ZINC000824222775 609375417 /nfs/dbraw/zinc/37/54/17/609375417.db2.gz BAHBBTJABXMUPT-ZDUSSCGKSA-N 1 1 390.513 2.102 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000825914522 609379637 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IWKFBGBJHHTIAV-LLVKDONJSA-N 1 1 378.420 2.129 20 0 GEADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000453967716 650241364 /nfs/dbraw/zinc/24/13/64/650241364.db2.gz IWKFBGBJHHTIAV-LLVKDONJSA-N 1 1 378.420 2.129 20 0 GEADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000453972198 650241709 /nfs/dbraw/zinc/24/17/09/650241709.db2.gz LQWUENVTXBEAQU-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000453972198 650241715 /nfs/dbraw/zinc/24/17/15/650241715.db2.gz LQWUENVTXBEAQU-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000454050583 650249159 /nfs/dbraw/zinc/24/91/59/650249159.db2.gz XNRHJDZHIGOYNI-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000454093417 650252294 /nfs/dbraw/zinc/25/22/94/650252294.db2.gz KJJMZYNSKFKACG-GFCCVEGCSA-N 1 1 386.265 2.468 20 0 GEADMO C[N@@H+](CCCCNC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC1 ZINC000454115208 650254619 /nfs/dbraw/zinc/25/46/19/650254619.db2.gz WSDPMANSRXBCBV-UHFFFAOYSA-N 1 1 394.313 2.329 20 0 GEADMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000454480527 650267691 /nfs/dbraw/zinc/26/76/91/650267691.db2.gz GYVAJAXGAJXWQG-DGCLKSJQSA-N 1 1 387.297 2.194 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000454640145 650274242 /nfs/dbraw/zinc/27/42/42/650274242.db2.gz JHOWQQJPFAWVGV-HIFRSBDPSA-N 1 1 387.933 2.286 20 0 GEADMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Br)c1 ZINC000454704067 650276887 /nfs/dbraw/zinc/27/68/87/650276887.db2.gz VJYPMYQECSXKEP-LBPRGKRZSA-N 1 1 386.290 2.426 20 0 GEADMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000455865104 650323804 /nfs/dbraw/zinc/32/38/04/650323804.db2.gz SKQGFFBOWCZQTK-UHFFFAOYSA-N 1 1 395.305 2.735 20 0 GEADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000455906593 650325658 /nfs/dbraw/zinc/32/56/58/650325658.db2.gz GBEKRULHIBAKQM-LBPRGKRZSA-N 1 1 387.265 2.394 20 0 GEADMO Cc1ccc(OCCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000456208369 650334091 /nfs/dbraw/zinc/33/40/91/650334091.db2.gz ICBRPVWQHMYQON-GASCZTMLSA-N 1 1 399.329 2.440 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H](C)[N@H+]1CCO ZINC000456218864 650334199 /nfs/dbraw/zinc/33/41/99/650334199.db2.gz BEKLBWQIYQIUQU-TXEJJXNPSA-N 1 1 380.286 2.458 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000456218864 650334201 /nfs/dbraw/zinc/33/42/01/650334201.db2.gz BEKLBWQIYQIUQU-TXEJJXNPSA-N 1 1 380.286 2.458 20 0 GEADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456480302 650342224 /nfs/dbraw/zinc/34/22/24/650342224.db2.gz GDOUOUVYGCSKHQ-LBPRGKRZSA-N 1 1 375.282 2.196 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2CCCS2)CC1 ZINC000456551565 650347955 /nfs/dbraw/zinc/34/79/55/650347955.db2.gz APEPFAXTVONOHJ-CYBMUJFWSA-N 1 1 385.331 2.430 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2CC2(F)F)CC1 ZINC000456592063 650350427 /nfs/dbraw/zinc/35/04/27/650350427.db2.gz PLWSLQQSLFIYAQ-SNVBAGLBSA-N 1 1 375.217 2.190 20 0 GEADMO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500269942 650374116 /nfs/dbraw/zinc/37/41/16/650374116.db2.gz QXSGLTOOUZPRRL-NWDGAFQWSA-N 1 1 376.320 2.015 20 0 GEADMO C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500269942 650374118 /nfs/dbraw/zinc/37/41/18/650374118.db2.gz QXSGLTOOUZPRRL-NWDGAFQWSA-N 1 1 376.320 2.015 20 0 GEADMO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)O1 ZINC000500406926 650376154 /nfs/dbraw/zinc/37/61/54/650376154.db2.gz VYYSPWXQJHONHM-TVQRCGJNSA-N 1 1 377.229 2.453 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000500492612 650379283 /nfs/dbraw/zinc/37/92/83/650379283.db2.gz WGJLKTWEROBWTH-HNNXBMFYSA-N 1 1 389.924 2.270 20 0 GEADMO Cc1[nH+]ccn1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000457595421 650381588 /nfs/dbraw/zinc/38/15/88/650381588.db2.gz JREIFFUFGBIGIH-UHFFFAOYSA-N 1 1 386.836 2.063 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@H+]1C ZINC000500937151 650385117 /nfs/dbraw/zinc/38/51/17/650385117.db2.gz ZALLYQIRPJWNHX-NEPJUHHUSA-N 1 1 390.347 2.276 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccc(Br)cc1Cl ZINC000458008275 650392284 /nfs/dbraw/zinc/39/22/84/650392284.db2.gz CPJTWZGTDOXJHN-NSHDSACASA-N 1 1 390.709 2.311 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccc(Br)cc1Cl ZINC000458008275 650392287 /nfs/dbraw/zinc/39/22/87/650392287.db2.gz CPJTWZGTDOXJHN-NSHDSACASA-N 1 1 390.709 2.311 20 0 GEADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000501510865 650393924 /nfs/dbraw/zinc/39/39/24/650393924.db2.gz NTKSZZYRHNGJSC-UKRRQHHQSA-N 1 1 385.555 2.139 20 0 GEADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000501510865 650393926 /nfs/dbraw/zinc/39/39/26/650393926.db2.gz NTKSZZYRHNGJSC-UKRRQHHQSA-N 1 1 385.555 2.139 20 0 GEADMO O=C(NCCc1ccccc1Br)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458093104 650395038 /nfs/dbraw/zinc/39/50/38/650395038.db2.gz GSZMOZDSPSWIBK-OAHLLOKOSA-N 1 1 384.318 2.138 20 0 GEADMO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458090516 650395048 /nfs/dbraw/zinc/39/50/48/650395048.db2.gz AZPFQQIJUPWVOQ-CYBMUJFWSA-N 1 1 388.281 2.234 20 0 GEADMO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000458115408 650396033 /nfs/dbraw/zinc/39/60/33/650396033.db2.gz RXRQJTOGOSHBPA-CXAGYDPISA-N 1 1 399.304 2.482 20 0 GEADMO COc1c(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc(Cl)cc1C(=O)N(C)C ZINC000501867859 650398387 /nfs/dbraw/zinc/39/83/87/650398387.db2.gz PVVFQCYMKVTUDK-LBPRGKRZSA-N 1 1 385.917 2.426 20 0 GEADMO COc1c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc(Cl)cc1C(=O)N(C)C ZINC000501867859 650398388 /nfs/dbraw/zinc/39/83/88/650398388.db2.gz PVVFQCYMKVTUDK-LBPRGKRZSA-N 1 1 385.917 2.426 20 0 GEADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458165585 650398437 /nfs/dbraw/zinc/39/84/37/650398437.db2.gz ZTBGTQGFSLSWKJ-CYBMUJFWSA-N 1 1 375.282 2.196 20 0 GEADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000458719315 650409134 /nfs/dbraw/zinc/40/91/34/650409134.db2.gz VVCGKKSPSOQPFI-CQSZACIVSA-N 1 1 387.933 2.369 20 0 GEADMO C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H](C)[N@@H+]1CCO ZINC000458408838 650402638 /nfs/dbraw/zinc/40/26/38/650402638.db2.gz XCLULYVUNUJVGQ-OKILXGFUSA-N 1 1 384.318 2.088 20 0 GEADMO Cn1c2ccc(C[NH2+]Cc3cc(S(C)(=O)=O)ccc3F)cc2sc1=O ZINC000502335972 650405279 /nfs/dbraw/zinc/40/52/79/650405279.db2.gz VEMDQGALVYHLDW-UHFFFAOYSA-N 1 1 380.466 2.432 20 0 GEADMO CCCN(CC1CC1)S(=O)(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000502356503 650405452 /nfs/dbraw/zinc/40/54/52/650405452.db2.gz YQEHSKRXQSWASE-GOSISDBHSA-N 1 1 375.579 2.080 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC(C)(C)c1ccccc1Br ZINC000458581565 650405770 /nfs/dbraw/zinc/40/57/70/650405770.db2.gz OUEXVXXANDVSHY-AWEZNQCLSA-N 1 1 398.345 2.435 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC(C)(C)c1ccccc1Br ZINC000458581565 650405772 /nfs/dbraw/zinc/40/57/72/650405772.db2.gz OUEXVXXANDVSHY-AWEZNQCLSA-N 1 1 398.345 2.435 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)c(Br)c3)[C@H]2C1 ZINC000502555213 650408344 /nfs/dbraw/zinc/40/83/44/650408344.db2.gz PGQVAXLJFKCQAE-GOEBONIOSA-N 1 1 383.286 2.393 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458706524 650408425 /nfs/dbraw/zinc/40/84/25/650408425.db2.gz DHLQOAQQOOOJFL-CQSZACIVSA-N 1 1 387.933 2.368 20 0 GEADMO C[N@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502975621 650413377 /nfs/dbraw/zinc/41/33/77/650413377.db2.gz VYKALPUTAZBBPE-HNNXBMFYSA-N 1 1 381.318 2.375 20 0 GEADMO COC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C ZINC000503192728 650415399 /nfs/dbraw/zinc/41/53/99/650415399.db2.gz IHYXRFSDHTVEEY-SUYBPPKGSA-N 1 1 386.286 2.320 20 0 GEADMO Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1Br ZINC000459163079 650420377 /nfs/dbraw/zinc/42/03/77/650420377.db2.gz AXDULRFEKCDARL-HNNXBMFYSA-N 1 1 384.318 2.404 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000459275205 650421951 /nfs/dbraw/zinc/42/19/51/650421951.db2.gz ABNKKCBOXIEUAD-ZDUSSCGKSA-N 1 1 397.317 2.419 20 0 GEADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000459394830 650423786 /nfs/dbraw/zinc/42/37/86/650423786.db2.gz BIYZPFGIMKVHAX-LBPRGKRZSA-N 1 1 378.270 2.479 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504039007 650426051 /nfs/dbraw/zinc/42/60/51/650426051.db2.gz ADIIGQZIMIJTML-LLVKDONJSA-N 1 1 391.335 2.168 20 0 GEADMO C[N@@H+](CCNc1ncc(Br)cc1S(N)(=O)=O)Cc1ccccc1 ZINC000504053871 650426565 /nfs/dbraw/zinc/42/65/65/650426565.db2.gz OJZFFFGZIUOFEU-UHFFFAOYSA-N 1 1 399.314 2.035 20 0 GEADMO CCOc1cc(CN2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc(Br)c1O ZINC000459514748 650426727 /nfs/dbraw/zinc/42/67/27/650426727.db2.gz CEQVQFISEACQCO-LSDHHAIUSA-N 1 1 385.302 2.458 20 0 GEADMO CCOc1cc(CN2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(Br)c1O ZINC000459514748 650426728 /nfs/dbraw/zinc/42/67/28/650426728.db2.gz 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LLGYZKQBVILIBK-IEBWSBKVSA-N 1 1 394.357 2.436 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000528554372 650696632 /nfs/dbraw/zinc/69/66/32/650696632.db2.gz UGJMLUHTQIMEHW-IUODEOHRSA-N 1 1 385.555 2.240 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000528554372 650696634 /nfs/dbraw/zinc/69/66/34/650696634.db2.gz UGJMLUHTQIMEHW-IUODEOHRSA-N 1 1 385.555 2.240 20 0 GEADMO O=C(C[N@H+]1CC2(CCOCC2)CC[C@H]1CO)Nc1ccc(Br)cn1 ZINC000528639924 650697136 /nfs/dbraw/zinc/69/71/36/650697136.db2.gz MJSORWWFSHLWQZ-AWEZNQCLSA-N 1 1 398.301 2.036 20 0 GEADMO O=C(C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO)Nc1ccc(Br)cn1 ZINC000528639924 650697139 /nfs/dbraw/zinc/69/71/39/650697139.db2.gz MJSORWWFSHLWQZ-AWEZNQCLSA-N 1 1 398.301 2.036 20 0 GEADMO Cc1c[nH+]cn1CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000529261795 650702129 /nfs/dbraw/zinc/70/21/29/650702129.db2.gz OWMXVTMGYORPOK-UHFFFAOYSA-N 1 1 395.276 2.438 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000486000687 650704898 /nfs/dbraw/zinc/70/48/98/650704898.db2.gz HEHFAFLAFMGAII-BXUZGUMPSA-N 1 1 378.274 2.225 20 0 GEADMO O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000486009639 650705081 /nfs/dbraw/zinc/70/50/81/650705081.db2.gz QZEBOISHTIZNOS-CYBMUJFWSA-N 1 1 386.721 2.499 20 0 GEADMO O=C1C[NH2+]CCN1[C@H]1CCCN(Cc2ccc(Cl)c(Br)c2)C1 ZINC000486009643 650705155 /nfs/dbraw/zinc/70/51/55/650705155.db2.gz QZEBOISHTIZNOS-ZDUSSCGKSA-N 1 1 386.721 2.499 20 0 GEADMO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000529913207 650709314 /nfs/dbraw/zinc/70/93/14/650709314.db2.gz HRMAHJROYRHQPR-UHFFFAOYSA-N 1 1 395.297 2.345 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294868 650711170 /nfs/dbraw/zinc/71/11/70/650711170.db2.gz RPYOMHRBDOYOPI-HIFRSBDPSA-N 1 1 396.329 2.112 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000486397974 650712988 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COc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(Br)c1 ZINC000530536120 650725733 /nfs/dbraw/zinc/72/57/33/650725733.db2.gz XQEYKXONMSTGRP-LLVKDONJSA-N 1 1 377.304 2.078 20 0 GEADMO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)nc12 ZINC000487143754 650729532 /nfs/dbraw/zinc/72/95/32/650729532.db2.gz XHHNLZIDYHIVER-WFASDCNBSA-N 1 1 379.302 2.262 20 0 GEADMO Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000530866634 650730227 /nfs/dbraw/zinc/73/02/27/650730227.db2.gz WVHCREXGHXFNIA-PBHICJAKSA-N 1 1 394.313 2.487 20 0 GEADMO CCOc1c(Cl)cccc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000487280088 650732041 /nfs/dbraw/zinc/73/20/41/650732041.db2.gz QPRAIFKBBMHBQR-HNNXBMFYSA-N 1 1 390.933 2.317 20 0 GEADMO CCN(CCOc1ccc(Br)cc1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000487810824 650738263 /nfs/dbraw/zinc/73/82/63/650738263.db2.gz SECBJMVQXVNXJR-HNNXBMFYSA-N 1 1 398.345 2.312 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000531765032 650744000 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CCC[N@@H+](CCC(=O)NC(N)=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000028934660 642454987 /nfs/dbraw/zinc/45/49/87/642454987.db2.gz OOPIOVZUGOXHKT-UHFFFAOYSA-N 1 1 375.256 2.229 20 0 GEADMO CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](CCO)CCO ZINC000533272275 650759206 /nfs/dbraw/zinc/75/92/06/650759206.db2.gz YZYYITCPHFTIRD-UHFFFAOYSA-N 1 1 386.242 2.159 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489261910 650756569 /nfs/dbraw/zinc/75/65/69/650756569.db2.gz IOBCNFUHPSPOJH-SFHVURJKSA-N 1 1 397.313 2.133 20 0 GEADMO CC(C)[C@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@H+]1C ZINC000489328628 650757703 /nfs/dbraw/zinc/75/77/03/650757703.db2.gz LPRYHNKISOYSDL-OAHLLOKOSA-N 1 1 396.289 2.094 20 0 GEADMO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000532808511 650753503 /nfs/dbraw/zinc/75/35/03/650753503.db2.gz SSHIWJMKJQXLDC-GFCCVEGCSA-N 1 1 394.331 2.387 20 0 GEADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000041275463 642527897 /nfs/dbraw/zinc/52/78/97/642527897.db2.gz 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C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000553861862 651191242 /nfs/dbraw/zinc/19/12/42/651191242.db2.gz BMVIBUWXCCTNGG-ZYHUDNBSSA-N 1 1 382.379 2.439 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@H]2C1 ZINC000553861861 651191284 /nfs/dbraw/zinc/19/12/84/651191284.db2.gz BMVIBUWXCCTNGG-PWSUYJOCSA-N 1 1 382.379 2.439 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@H]2C1 ZINC000553861861 651191286 /nfs/dbraw/zinc/19/12/86/651191286.db2.gz BMVIBUWXCCTNGG-PWSUYJOCSA-N 1 1 382.379 2.439 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000553867263 651191633 /nfs/dbraw/zinc/19/16/33/651191633.db2.gz VKNQCQHKDNPZPY-UHFFFAOYSA-N 1 1 380.233 2.105 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1Br ZINC000554251603 651200751 /nfs/dbraw/zinc/20/07/51/651200751.db2.gz ABAVBTUZHXBPIP-HNNXBMFYSA-N 1 1 384.318 2.402 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(F)cc1Br ZINC000554579122 651207513 /nfs/dbraw/zinc/20/75/13/651207513.db2.gz NVOPAFPLTHKTMA-JTQLQIEISA-N 1 1 386.265 2.293 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000555166019 651219554 /nfs/dbraw/zinc/21/95/54/651219554.db2.gz SXFGNAPLFBBSJO-CYBMUJFWSA-N 1 1 392.301 2.168 20 0 GEADMO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cn1 ZINC000555368894 651224152 /nfs/dbraw/zinc/22/41/52/651224152.db2.gz AJARGCNICQCRQK-CYBMUJFWSA-N 1 1 383.334 2.437 20 0 GEADMO CSCc1cnc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)s1 ZINC000555537102 651228195 /nfs/dbraw/zinc/22/81/95/651228195.db2.gz KEWMZIRBWKOGCW-KRWDZBQOSA-N 1 1 376.507 2.351 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000555771308 651229702 /nfs/dbraw/zinc/22/97/02/651229702.db2.gz SLSRRPRXVHWMNS-RKDXNWHRSA-N 1 1 383.258 2.488 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000555771308 651229704 /nfs/dbraw/zinc/22/97/04/651229704.db2.gz SLSRRPRXVHWMNS-RKDXNWHRSA-N 1 1 383.258 2.488 20 0 GEADMO CSC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000556078591 651236141 /nfs/dbraw/zinc/23/61/41/651236141.db2.gz WXGITOXSJZVHEP-BBRMVZONSA-N 1 1 383.945 2.461 20 0 GEADMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000556604036 651247737 /nfs/dbraw/zinc/24/77/37/651247737.db2.gz UCKFMJXYVRDFFL-MRXNPFEDSA-N 1 1 388.258 2.294 20 0 GEADMO C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000556606224 651247747 /nfs/dbraw/zinc/24/77/47/651247747.db2.gz UYFUNPMRTPFAPQ-RISCZKNCSA-N 1 1 387.265 2.302 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000556745545 651251045 /nfs/dbraw/zinc/25/10/45/651251045.db2.gz FUBSPURWGCJYKV-UHFFFAOYSA-N 1 1 378.523 2.074 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCCS3(=O)=O)C2)s1 ZINC000556829447 651254786 /nfs/dbraw/zinc/25/47/86/651254786.db2.gz MQBGXUANRFYGLJ-NVXWUHKLSA-N 1 1 384.567 2.304 20 0 GEADMO COc1c(Br)cc(CNC[C@H]2C[NH2+]CCO2)cc1Br ZINC000556963680 651258385 /nfs/dbraw/zinc/25/83/85/651258385.db2.gz WTXFHRDAQXQQLD-SNVBAGLBSA-N 1 1 394.107 2.298 20 0 GEADMO Cc1c(Br)ccnc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000557123424 651263620 /nfs/dbraw/zinc/26/36/20/651263620.db2.gz KYAHNFGKEISAEH-UHFFFAOYSA-N 1 1 384.322 2.300 20 0 GEADMO CCC[N@@H+](C)[C@H](CNc1ncc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC000557683962 651272220 /nfs/dbraw/zinc/27/22/20/651272220.db2.gz OMCMAYNVYRJZQO-CYBMUJFWSA-N 1 1 388.946 2.939 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000557918176 651276199 /nfs/dbraw/zinc/27/61/99/651276199.db2.gz NRMZFEGWUQPBDD-KBPBESRZSA-N 1 1 394.313 2.355 20 0 GEADMO CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000558859524 651286832 /nfs/dbraw/zinc/28/68/32/651286832.db2.gz DKEHEVLSXVYRLL-NSHDSACASA-N 1 1 398.330 2.310 20 0 GEADMO CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000558859524 651286837 /nfs/dbraw/zinc/28/68/37/651286837.db2.gz DKEHEVLSXVYRLL-NSHDSACASA-N 1 1 398.330 2.310 20 0 GEADMO CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558859522 651286944 /nfs/dbraw/zinc/28/69/44/651286944.db2.gz DKEHEVLSXVYRLL-LLVKDONJSA-N 1 1 398.330 2.310 20 0 GEADMO CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558859522 651286949 /nfs/dbraw/zinc/28/69/49/651286949.db2.gz DKEHEVLSXVYRLL-LLVKDONJSA-N 1 1 398.330 2.310 20 0 GEADMO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000560023117 651303688 /nfs/dbraw/zinc/30/36/88/651303688.db2.gz BOGRWOUCOGTLPD-HNNXBMFYSA-N 1 1 387.933 2.082 20 0 GEADMO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000560023117 651303693 /nfs/dbraw/zinc/30/36/93/651303693.db2.gz BOGRWOUCOGTLPD-HNNXBMFYSA-N 1 1 387.933 2.082 20 0 GEADMO COc1cc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc(Br)c1OC ZINC000560393863 651308549 /nfs/dbraw/zinc/30/85/49/651308549.db2.gz FNQZJCYLMHFXQY-GXTWGEPZSA-N 1 1 398.301 2.312 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560581241 651311842 /nfs/dbraw/zinc/31/18/42/651311842.db2.gz OQSJHGYTAYVWIT-BBWFWOEESA-N 1 1 385.961 2.389 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560581241 651311843 /nfs/dbraw/zinc/31/18/43/651311843.db2.gz OQSJHGYTAYVWIT-BBWFWOEESA-N 1 1 385.961 2.389 20 0 GEADMO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000560674704 651313954 /nfs/dbraw/zinc/31/39/54/651313954.db2.gz KLEXZHUCYSDKIS-UHFFFAOYSA-N 1 1 384.307 2.206 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000643195556 651479110 /nfs/dbraw/zinc/47/91/10/651479110.db2.gz RSOTXUKKORVYRU-GFCCVEGCSA-N 1 1 397.488 2.167 20 0 GEADMO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000725828990 651480832 /nfs/dbraw/zinc/48/08/32/651480832.db2.gz XIBDMINKZKFKBG-LBPRGKRZSA-N 1 1 394.324 2.264 20 0 GEADMO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000725828990 651480835 /nfs/dbraw/zinc/48/08/35/651480835.db2.gz XIBDMINKZKFKBG-LBPRGKRZSA-N 1 1 394.324 2.264 20 0 GEADMO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000725895891 651482419 /nfs/dbraw/zinc/48/24/19/651482419.db2.gz IVYVBJATPRUUQP-UONOGXRCSA-N 1 1 383.279 2.163 20 0 GEADMO CCOC(=O)c1nc(N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000603342937 651482720 /nfs/dbraw/zinc/48/27/20/651482720.db2.gz GTUVDGDVGDEODY-CYBMUJFWSA-N 1 1 398.301 2.322 20 0 GEADMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000643336987 651483621 /nfs/dbraw/zinc/48/36/21/651483621.db2.gz IZCLZTFTSDUVCN-OAHLLOKOSA-N 1 1 378.519 2.498 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000643336987 651483623 /nfs/dbraw/zinc/48/36/23/651483623.db2.gz IZCLZTFTSDUVCN-OAHLLOKOSA-N 1 1 378.519 2.498 20 0 GEADMO COCC(=O)NC1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000643366280 651484343 /nfs/dbraw/zinc/48/43/43/651484343.db2.gz YKSQMROCRCLMCA-UHFFFAOYSA-N 1 1 382.258 2.317 20 0 GEADMO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000643600693 651490451 /nfs/dbraw/zinc/49/04/51/651490451.db2.gz VIKBMMSNJORKIB-CVEARBPZSA-N 1 1 388.265 2.493 20 0 GEADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ncc(I)s3)C2)C1 ZINC000603433624 651491710 /nfs/dbraw/zinc/49/17/10/651491710.db2.gz HGKKKUZYBZOHGS-CYBMUJFWSA-N 1 1 391.278 2.306 20 0 GEADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000562668734 651499142 /nfs/dbraw/zinc/49/91/42/651499142.db2.gz DFUVGPGGENWVOV-UHFFFAOYSA-N 1 1 399.333 2.127 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000563085924 651508906 /nfs/dbraw/zinc/50/89/06/651508906.db2.gz CVAUOQYJSZSZJJ-UHFFFAOYSA-N 1 1 392.301 2.208 20 0 GEADMO CCC[C@@H](C)[N@H+]1Cc2ccc(NC(=S)NCCNS(C)(=O)=O)cc2C1 ZINC000727086844 651512465 /nfs/dbraw/zinc/51/24/65/651512465.db2.gz XXMYISJRFPZYAX-CYBMUJFWSA-N 1 1 384.571 2.026 20 0 GEADMO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644298489 651532579 /nfs/dbraw/zinc/53/25/79/651532579.db2.gz GEQHMPRVEXFXSX-GWCFXTLKSA-N 1 1 377.279 2.221 20 0 GEADMO CCOc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC000644301917 651533227 /nfs/dbraw/zinc/53/32/27/651533227.db2.gz VCAHLXYZKXIRAI-BXUZGUMPSA-N 1 1 389.315 2.172 20 0 GEADMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@H]2C1 ZINC000644302241 651534287 /nfs/dbraw/zinc/53/42/87/651534287.db2.gz RYBKBWOOHYXTEP-SKDRFNHKSA-N 1 1 379.707 2.427 20 0 GEADMO O=c1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)nc2ccc(Br)cn12 ZINC000728055511 651536312 /nfs/dbraw/zinc/53/63/12/651536312.db2.gz RQMAYOHJQHIPPM-GFCCVEGCSA-N 1 1 394.269 2.042 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000564123996 651555699 /nfs/dbraw/zinc/55/56/99/651555699.db2.gz MPEHTCTWNMSFKB-LLVKDONJSA-N 1 1 383.212 2.131 20 0 GEADMO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000564155274 651557895 /nfs/dbraw/zinc/55/78/95/651557895.db2.gz CIXVEFVCDTVELK-LBPRGKRZSA-N 1 1 394.273 2.314 20 0 GEADMO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000564155274 651557901 /nfs/dbraw/zinc/55/79/01/651557901.db2.gz CIXVEFVCDTVELK-LBPRGKRZSA-N 1 1 394.273 2.314 20 0 GEADMO O[C@@H](C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)Cn1cccn1 ZINC000644676950 651562820 /nfs/dbraw/zinc/56/28/20/651562820.db2.gz BKKPCOKAVHOZON-ZETCQYMHSA-N 1 1 382.155 2.353 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C ZINC000607161454 651567356 /nfs/dbraw/zinc/56/73/56/651567356.db2.gz VQGRLBNAXHIIPG-WCQYABFASA-N 1 1 376.320 2.337 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000729499599 651570945 /nfs/dbraw/zinc/57/09/45/651570945.db2.gz VVHGCAUYXHVOSU-WCXIOVBPSA-N 1 1 394.313 2.467 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000607908138 651581586 /nfs/dbraw/zinc/58/15/86/651581586.db2.gz NLHFYSXWIBVSOM-OAHLLOKOSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000607908138 651581590 /nfs/dbraw/zinc/58/15/90/651581590.db2.gz NLHFYSXWIBVSOM-OAHLLOKOSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000607908138 651581594 /nfs/dbraw/zinc/58/15/94/651581594.db2.gz NLHFYSXWIBVSOM-OAHLLOKOSA-N 1 1 398.345 2.360 20 0 GEADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133819 651586779 /nfs/dbraw/zinc/58/67/79/651586779.db2.gz YGCLKQQUNDCYQO-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133819 651586786 /nfs/dbraw/zinc/58/67/86/651586786.db2.gz YGCLKQQUNDCYQO-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000730077980 651589561 /nfs/dbraw/zinc/58/95/61/651589561.db2.gz AELLENYYQZDTSH-YPMHNXCESA-N 1 1 377.710 2.478 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCN1C ZINC000730077980 651589566 /nfs/dbraw/zinc/58/95/66/651589566.db2.gz AELLENYYQZDTSH-YPMHNXCESA-N 1 1 377.710 2.478 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCN1C ZINC000730077980 651589568 /nfs/dbraw/zinc/58/95/68/651589568.db2.gz 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COc1ncc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000645433372 651604212 /nfs/dbraw/zinc/60/42/12/651604212.db2.gz KNYDDHCIJRJHLF-LBPRGKRZSA-N 1 1 375.903 2.386 20 0 GEADMO O=C(NCC[N@H+]1CC=CCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000567434947 651624283 /nfs/dbraw/zinc/62/42/83/651624283.db2.gz PXVKLGLCWNKDMN-UHFFFAOYSA-N 1 1 377.282 2.428 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000567434947 651624285 /nfs/dbraw/zinc/62/42/85/651624285.db2.gz PXVKLGLCWNKDMN-UHFFFAOYSA-N 1 1 377.282 2.428 20 0 GEADMO COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000609596209 651625987 /nfs/dbraw/zinc/62/59/87/651625987.db2.gz NGOQGDKWKRJDNB-HNNXBMFYSA-N 1 1 382.507 2.045 20 0 GEADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCc1cc(F)ccc1Br ZINC000567672841 651633835 /nfs/dbraw/zinc/63/38/35/651633835.db2.gz NVQVHPYMQANCIH-OAHLLOKOSA-N 1 1 395.276 2.427 20 0 GEADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645751189 651646939 /nfs/dbraw/zinc/64/69/39/651646939.db2.gz 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Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000656256554 652029328 /nfs/dbraw/zinc/02/93/28/652029328.db2.gz VCZNLMGCIQULTK-MRXNPFEDSA-N 1 1 391.313 2.460 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000656256554 652029333 /nfs/dbraw/zinc/02/93/33/652029333.db2.gz VCZNLMGCIQULTK-MRXNPFEDSA-N 1 1 391.313 2.460 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000743981797 652031391 /nfs/dbraw/zinc/03/13/91/652031391.db2.gz RWHYTMUJQFMGHT-SNVBAGLBSA-N 1 1 375.803 2.480 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000743981443 652031585 /nfs/dbraw/zinc/03/15/85/652031585.db2.gz QXNQDBDEHOZFAG-GFCCVEGCSA-N 1 1 398.301 2.387 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000574773405 652042277 /nfs/dbraw/zinc/04/22/77/652042277.db2.gz YTUYJXGOBWLRJW-GFCCVEGCSA-N 1 1 396.289 2.144 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000744347662 652046204 /nfs/dbraw/zinc/04/62/04/652046204.db2.gz PDTJZQAHUZGBAU-LLVKDONJSA-N 1 1 388.331 2.183 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000574953123 652054807 /nfs/dbraw/zinc/05/48/07/652054807.db2.gz GNBGMZLKOFFRHA-CQSZACIVSA-N 1 1 387.933 2.273 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656860128 652059495 /nfs/dbraw/zinc/05/94/95/652059495.db2.gz AJWDUSIXVSFCNH-ZDUSSCGKSA-N 1 1 379.295 2.492 20 0 GEADMO Nc1cnc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000575121545 652063563 /nfs/dbraw/zinc/06/35/63/652063563.db2.gz WEYKVIHQBPCWSY-UHFFFAOYSA-N 1 1 390.285 2.216 20 0 GEADMO CO[C@@H](CS(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000656933461 652067023 /nfs/dbraw/zinc/06/70/23/652067023.db2.gz AHBQHYDUKSCOOI-JZXOWHBKSA-N 1 1 376.563 2.000 20 0 GEADMO CO[C@@H](CS(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000656933461 652067029 /nfs/dbraw/zinc/06/70/29/652067029.db2.gz AHBQHYDUKSCOOI-JZXOWHBKSA-N 1 1 376.563 2.000 20 0 GEADMO COCC[N@@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc(Cl)c2C1 ZINC000575192782 652068199 /nfs/dbraw/zinc/06/81/99/652068199.db2.gz NAWHPYHUUTYRLX-GFCCVEGCSA-N 1 1 391.737 2.400 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000575651499 652073359 /nfs/dbraw/zinc/07/33/59/652073359.db2.gz KHSIGNCXGRCOFL-NSHDSACASA-N 1 1 376.320 2.109 20 0 GEADMO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000575796718 652078548 /nfs/dbraw/zinc/07/85/48/652078548.db2.gz HREBWNGMQNJVRJ-XHDPSFHLSA-N 1 1 385.249 2.279 20 0 GEADMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000575857121 652082708 /nfs/dbraw/zinc/08/27/08/652082708.db2.gz LNKAGEFQYPLZED-GFCCVEGCSA-N 1 1 383.265 2.421 20 0 GEADMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000575857121 652082718 /nfs/dbraw/zinc/08/27/18/652082718.db2.gz LNKAGEFQYPLZED-GFCCVEGCSA-N 1 1 383.265 2.421 20 0 GEADMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000619896137 652083196 /nfs/dbraw/zinc/08/31/96/652083196.db2.gz ZHALCDDDKJTCEO-HOCLYGCPSA-N 1 1 394.313 2.403 20 0 GEADMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000657021972 652089435 /nfs/dbraw/zinc/08/94/35/652089435.db2.gz HZBGQVRDSKTBSW-UHFFFAOYSA-N 1 1 376.320 2.339 20 0 GEADMO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nnnn2-c2ccccc2Br)C1 ZINC000576031920 652091896 /nfs/dbraw/zinc/09/18/96/652091896.db2.gz VRGCUKGFFSEUJS-QWHCGFSZSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2nnnn2-c2ccccc2Br)C1 ZINC000576031920 652091901 /nfs/dbraw/zinc/09/19/01/652091901.db2.gz VRGCUKGFFSEUJS-QWHCGFSZSA-N 1 1 380.290 2.408 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000746052983 652094610 /nfs/dbraw/zinc/09/46/10/652094610.db2.gz BRSIFNYGPHFEJK-AWEZNQCLSA-N 1 1 382.917 2.340 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)sc1C ZINC000657085134 652107866 /nfs/dbraw/zinc/10/78/66/652107866.db2.gz MSNKIEVDMNYHOB-KRWDZBQOSA-N 1 1 380.535 2.410 20 0 GEADMO O=S(=O)(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1sccc1Cl ZINC000657085136 652108118 /nfs/dbraw/zinc/10/81/18/652108118.db2.gz MTDPBPCSZRGPOO-AWEZNQCLSA-N 1 1 386.926 2.447 20 0 GEADMO Cc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000576355737 652109986 /nfs/dbraw/zinc/10/99/86/652109986.db2.gz FKPVBYJJDRWFQP-UHFFFAOYSA-N 1 1 375.441 2.092 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000746614533 652118049 /nfs/dbraw/zinc/11/80/49/652118049.db2.gz AEOTVIKBXLLZDH-TXNVCOODSA-N 1 1 385.258 2.151 20 0 GEADMO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000576487626 652121882 /nfs/dbraw/zinc/12/18/82/652121882.db2.gz TTWRBIIHHNRHEJ-AWEZNQCLSA-N 1 1 382.917 2.335 20 0 GEADMO Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C(F)(F)F)n1 ZINC000746829390 652125657 /nfs/dbraw/zinc/12/56/57/652125657.db2.gz MTKDCMUACOYZDI-TYNCELHUSA-N 1 1 377.432 2.335 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746870823 652127049 /nfs/dbraw/zinc/12/70/49/652127049.db2.gz FLLONEFELOUDPS-UHFFFAOYSA-N 1 1 385.965 2.154 20 0 GEADMO CNS(=O)(=O)CCN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000621276568 652141569 /nfs/dbraw/zinc/14/15/69/652141569.db2.gz LUABPPZBZBPXHW-MRXNPFEDSA-N 1 1 375.485 2.019 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621286338 652141924 /nfs/dbraw/zinc/14/19/24/652141924.db2.gz GPUCFHAKXJJESX-LBPRGKRZSA-N 1 1 399.285 2.264 20 0 GEADMO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000621298243 652143470 /nfs/dbraw/zinc/14/34/70/652143470.db2.gz OKFYUBNNHBBLLS-CQSZACIVSA-N 1 1 375.332 2.395 20 0 GEADMO CNS(=O)(=O)CC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000621298243 652143472 /nfs/dbraw/zinc/14/34/72/652143472.db2.gz OKFYUBNNHBBLLS-CQSZACIVSA-N 1 1 375.332 2.395 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621919122 652170014 /nfs/dbraw/zinc/17/00/14/652170014.db2.gz YKNODVJQNWRSTI-CYBMUJFWSA-N 1 1 375.416 2.146 20 0 GEADMO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000577214758 652170538 /nfs/dbraw/zinc/17/05/38/652170538.db2.gz LEBAPFZTWYYQTI-GFCCVEGCSA-N 1 1 376.258 2.231 20 0 GEADMO NC(=O)Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)nn1 ZINC000657549453 652172432 /nfs/dbraw/zinc/17/24/32/652172432.db2.gz DIJCSEOZFNNLGC-UHFFFAOYSA-N 1 1 392.301 2.475 20 0 GEADMO O=S1(=O)CCCN1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000747657384 652173710 /nfs/dbraw/zinc/17/37/10/652173710.db2.gz NDEIFHXEVJNEBW-SFHVURJKSA-N 1 1 380.535 2.319 20 0 GEADMO O=S1(=O)CCCN1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000747657384 652173716 /nfs/dbraw/zinc/17/37/16/652173716.db2.gz NDEIFHXEVJNEBW-SFHVURJKSA-N 1 1 380.535 2.319 20 0 GEADMO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000577306175 652177824 /nfs/dbraw/zinc/17/78/24/652177824.db2.gz SWGDXTYXLQYBCQ-ZDUSSCGKSA-N 1 1 389.315 2.193 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657651185 652185790 /nfs/dbraw/zinc/18/57/90/652185790.db2.gz UJBMPMDTVBCTSI-SECBINFHSA-N 1 1 390.228 2.124 20 0 GEADMO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000657651468 652186026 /nfs/dbraw/zinc/18/60/26/652186026.db2.gz DJVFZWULPLIZJZ-SECBINFHSA-N 1 1 386.265 2.434 20 0 GEADMO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000577527995 652195409 /nfs/dbraw/zinc/19/54/09/652195409.db2.gz FUPRJAJEXZWWAP-ZDUSSCGKSA-N 1 1 383.286 2.291 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@@H+]1C ZINC000748344423 652199280 /nfs/dbraw/zinc/19/92/80/652199280.db2.gz AILGVTHQUJJJLZ-GFCCVEGCSA-N 1 1 378.523 2.091 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@H+]1C ZINC000748344423 652199285 /nfs/dbraw/zinc/19/92/85/652199285.db2.gz AILGVTHQUJJJLZ-GFCCVEGCSA-N 1 1 378.523 2.091 20 0 GEADMO O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657917497 652217181 /nfs/dbraw/zinc/21/71/81/652217181.db2.gz ICGQIGRUJDBSGF-UHFFFAOYSA-N 1 1 388.212 2.044 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657917497 652217191 /nfs/dbraw/zinc/21/71/91/652217191.db2.gz ICGQIGRUJDBSGF-UHFFFAOYSA-N 1 1 388.212 2.044 20 0 GEADMO Cc1csc([C@@](O)(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000748843438 652220468 /nfs/dbraw/zinc/22/04/68/652220468.db2.gz DCCNIYQRRNUGIP-WFASDCNBSA-N 1 1 379.448 2.438 20 0 GEADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657974750 652224101 /nfs/dbraw/zinc/22/41/01/652224101.db2.gz RHSUXTOCJYWNHG-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657974750 652224115 /nfs/dbraw/zinc/22/41/15/652224115.db2.gz RHSUXTOCJYWNHG-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1Br ZINC000658124237 652238228 /nfs/dbraw/zinc/23/82/28/652238228.db2.gz FMPFGEIQEDDYQS-LLVKDONJSA-N 1 1 383.290 2.080 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000623462918 652239531 /nfs/dbraw/zinc/23/95/31/652239531.db2.gz ZTQAOGGWCVVXNF-LBPRGKRZSA-N 1 1 385.306 2.384 20 0 GEADMO 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C[C@@H]1CC[N@@H+](CCNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000897454286 653922337 /nfs/dbraw/zinc/92/23/37/653922337.db2.gz CHEIZUMOZVHSRZ-GFCCVEGCSA-N 1 1 390.347 2.356 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000897460519 653923121 /nfs/dbraw/zinc/92/31/21/653923121.db2.gz HTSCWZXPPUBMBS-BBRMVZONSA-N 1 1 384.318 2.466 20 0 GEADMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(F)nc1F ZINC000867374298 653924672 /nfs/dbraw/zinc/92/46/72/653924672.db2.gz ZMFQAKZSDYRMHQ-UHFFFAOYSA-N 1 1 387.374 2.397 20 0 GEADMO C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000897506075 653924882 /nfs/dbraw/zinc/92/48/82/653924882.db2.gz UHHAPPKMTCBPQO-XHDPSFHLSA-N 1 1 388.281 2.405 20 0 GEADMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)[C@@H](C)C1 ZINC000867394873 653926805 /nfs/dbraw/zinc/92/68/05/653926805.db2.gz GZVQWJFTUXPLRO-ZDUSSCGKSA-N 1 1 387.933 2.147 20 0 GEADMO Cn1nc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1Br ZINC000825400585 653928070 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CN1CC[NH+](Cc2ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906125650 654418133 /nfs/dbraw/zinc/41/81/33/654418133.db2.gz DBGDGYGHIHKMMG-AWEZNQCLSA-N 1 1 394.730 2.494 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2nscc2I)C1 ZINC000906172851 654419442 /nfs/dbraw/zinc/41/94/42/654419442.db2.gz NDDFJCZLXCSAJR-SECBINFHSA-N 1 1 379.267 2.209 20 0 GEADMO Brc1ccn2cc(CNC[C@@H]3CC[N@H+]3C3CCOCC3)nc2c1 ZINC000922954480 654421526 /nfs/dbraw/zinc/42/15/26/654421526.db2.gz UXHOZJZIBHBOAC-INIZCTEOSA-N 1 1 379.302 2.440 20 0 GEADMO Brc1ccn2cc(C[NH2+]C[C@@H]3CCN3C3CCOCC3)nc2c1 ZINC000922954480 654421532 /nfs/dbraw/zinc/42/15/32/654421532.db2.gz UXHOZJZIBHBOAC-INIZCTEOSA-N 1 1 379.302 2.440 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906239928 654423027 /nfs/dbraw/zinc/42/30/27/654423027.db2.gz KWZUZZCOXIAZTK-TZMCWYRMSA-N 1 1 380.286 2.302 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)s1 ZINC000922980291 654423218 /nfs/dbraw/zinc/42/32/18/654423218.db2.gz SUHARFFUXIIRHV-GFCCVEGCSA-N 1 1 380.413 2.238 20 0 GEADMO Cn1ccc(-n2cc(C[N@H+](C)CCc3cccc(Br)c3)nn2)n1 ZINC000906303944 654426741 /nfs/dbraw/zinc/42/67/41/654426741.db2.gz LQKLXPPVBXIUBN-UHFFFAOYSA-N 1 1 375.274 2.438 20 0 GEADMO Cn1ccc(-n2cc(C[N@@H+](C)CCc3cccc(Br)c3)nn2)n1 ZINC000906303944 654426746 /nfs/dbraw/zinc/42/67/46/654426746.db2.gz LQKLXPPVBXIUBN-UHFFFAOYSA-N 1 1 375.274 2.438 20 0 GEADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cn1 ZINC000906352014 654430165 /nfs/dbraw/zinc/43/01/65/654430165.db2.gz ZCKDTKYLXFMTDM-LLVKDONJSA-N 1 1 377.659 2.313 20 0 GEADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893909413 654430829 /nfs/dbraw/zinc/43/08/29/654430829.db2.gz MOPINLXEUWGLKZ-GFCCVEGCSA-N 1 1 380.539 2.050 20 0 GEADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893909413 654430831 /nfs/dbraw/zinc/43/08/31/654430831.db2.gz MOPINLXEUWGLKZ-GFCCVEGCSA-N 1 1 380.539 2.050 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)[C@@H]2C1 ZINC000893936466 654432098 /nfs/dbraw/zinc/43/20/98/654432098.db2.gz WYZLHURSVZJTEK-WDEREUQCSA-N 1 1 379.306 2.484 20 0 GEADMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893987196 654436355 /nfs/dbraw/zinc/43/63/55/654436355.db2.gz OUFDRZXBSHVNLR-CYBMUJFWSA-N 1 1 386.949 2.371 20 0 GEADMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893987196 654436357 /nfs/dbraw/zinc/43/63/57/654436357.db2.gz OUFDRZXBSHVNLR-CYBMUJFWSA-N 1 1 386.949 2.371 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906448938 654438651 /nfs/dbraw/zinc/43/86/51/654438651.db2.gz OQIZPMOTIVNEFH-VIFPVBQESA-N 1 1 379.267 2.209 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)Cc2c(I)cnn2C)C[C@@H]1C ZINC000894042508 654441559 /nfs/dbraw/zinc/44/15/59/654441559.db2.gz APIOBZKTXIKSSZ-RYUDHWBXSA-N 1 1 376.286 2.329 20 0 GEADMO Cn1cc(C[C@H]2CC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)cn1 ZINC000894084695 654444964 /nfs/dbraw/zinc/44/49/64/654444964.db2.gz MYBHHICLMLUWOB-CYBMUJFWSA-N 1 1 381.933 2.431 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000873666542 654446252 /nfs/dbraw/zinc/44/62/52/654446252.db2.gz KDOIFGSGMLJJKH-OLZOCXBDSA-N 1 1 396.285 2.139 20 0 GEADMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2sc(N3CCOCC3)nc2Cl)CN1 ZINC000894094765 654446431 /nfs/dbraw/zinc/44/64/31/654446431.db2.gz NEXUXMNEUZMYKK-CHWSQXEVSA-N 1 1 384.933 2.124 20 0 GEADMO O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1CSCCS1 ZINC000855924246 654448761 /nfs/dbraw/zinc/44/87/61/654448761.db2.gz UPEVINKMNDRSGM-KRWDZBQOSA-N 1 1 377.579 2.306 20 0 GEADMO O=C(NCc1cnc(Br)cn1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000923399834 654449733 /nfs/dbraw/zinc/44/97/33/654449733.db2.gz HTTCBJRBALESAN-CQSZACIVSA-N 1 1 382.306 2.445 20 0 GEADMO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906584637 654451133 /nfs/dbraw/zinc/45/11/33/654451133.db2.gz LESAZKVLKFNOGC-GFCCVEGCSA-N 1 1 378.274 2.162 20 0 GEADMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906584638 654451413 /nfs/dbraw/zinc/45/14/13/654451413.db2.gz LESAZKVLKFNOGC-LBPRGKRZSA-N 1 1 378.274 2.162 20 0 GEADMO C[C@@H](CNCc1c(I)cnn1C)[N@H+]1CCCC[C@@H]1C ZINC000894175779 654452801 /nfs/dbraw/zinc/45/28/01/654452801.db2.gz LONANJAXGHYZIL-RYUDHWBXSA-N 1 1 376.286 2.377 20 0 GEADMO C[C@@H](C(=O)N1CCn2ncc(Br)c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000856010486 654454886 /nfs/dbraw/zinc/45/48/86/654454886.db2.gz IWPMGEDHVVXYFM-ZDUSSCGKSA-N 1 1 389.297 2.435 20 0 GEADMO C[C@@H](C(=O)N1CCn2ncc(Br)c2C1)[N@H+]1CCc2ccccc2C1 ZINC000856010486 654454890 /nfs/dbraw/zinc/45/48/90/654454890.db2.gz IWPMGEDHVVXYFM-ZDUSSCGKSA-N 1 1 389.297 2.435 20 0 GEADMO Cn1nc(Br)nc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000894211588 654456256 /nfs/dbraw/zinc/45/62/56/654456256.db2.gz RSSCFTXVJIWQNW-JTQLQIEISA-N 1 1 395.179 2.299 20 0 GEADMO O=C(CSc1nccn1Cc1ccccc1)NCC[NH+]1CCSCC1 ZINC000906660705 654457437 /nfs/dbraw/zinc/45/74/37/654457437.db2.gz MCTMMKZDLZAYNA-UHFFFAOYSA-N 1 1 376.551 2.189 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000906661671 654457705 /nfs/dbraw/zinc/45/77/05/654457705.db2.gz SLDXYCSZGBTKDZ-CYBMUJFWSA-N 1 1 398.349 2.125 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000906661671 654457715 /nfs/dbraw/zinc/45/77/15/654457715.db2.gz SLDXYCSZGBTKDZ-CYBMUJFWSA-N 1 1 398.349 2.125 20 0 GEADMO CCC[NH+]1CCC(CNCc2c(I)cnn2C)CC1 ZINC000894241482 654458371 /nfs/dbraw/zinc/45/83/71/654458371.db2.gz JBKCXYAWOBQOKS-UHFFFAOYSA-N 1 1 376.286 2.236 20 0 GEADMO O[C@H](COc1ccc(Cl)cc1Br)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515597 654458548 /nfs/dbraw/zinc/45/85/48/654458548.db2.gz IICBZGCCSRHQCJ-SCRDCRAPSA-N 1 1 389.721 2.384 20 0 GEADMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc(Br)nc1 ZINC000856082612 654460134 /nfs/dbraw/zinc/46/01/34/654460134.db2.gz PZUDHXPFHKAXIH-ZIAGYGMSSA-N 1 1 380.286 2.217 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1O)CCc1ccccc1 ZINC000894260231 654460525 /nfs/dbraw/zinc/46/05/25/654460525.db2.gz DIRGHYWXFVZLOW-UHFFFAOYSA-N 1 1 399.310 2.297 20 0 GEADMO Cn1ncc(I)c1C[NH2+]CCCC(=O)OC(C)(C)C ZINC000894310777 654464042 /nfs/dbraw/zinc/46/40/42/654464042.db2.gz MOHTWMREEYBZHC-UHFFFAOYSA-N 1 1 379.242 2.236 20 0 GEADMO Cn1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c(I)n1 ZINC000894445094 654476307 /nfs/dbraw/zinc/47/63/07/654476307.db2.gz MCEYDQCUDSGVKL-LBPRGKRZSA-N 1 1 375.254 2.273 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)c2nscc2I)CC[N@H+]1C ZINC000906794281 654472764 /nfs/dbraw/zinc/47/27/64/654472764.db2.gz UWOXYUCWSYYARQ-DTWKUNHWSA-N 1 1 379.267 2.302 20 0 GEADMO Nc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Br)n1 ZINC000873856084 654473319 /nfs/dbraw/zinc/47/33/19/654473319.db2.gz AERMOKWMGAWUGY-CQSZACIVSA-N 1 1 375.270 2.431 20 0 GEADMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000856283409 654474590 /nfs/dbraw/zinc/47/45/90/654474590.db2.gz YSKSJKNGULUPIH-UHFFFAOYSA-N 1 1 389.949 2.441 20 0 GEADMO CN(C)C(=O)CC1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894433839 654475375 /nfs/dbraw/zinc/47/53/75/654475375.db2.gz DUJHTQPKARRWFX-UHFFFAOYSA-N 1 1 386.949 2.323 20 0 GEADMO O=S(=O)(Cc1c(Cl)cccc1Cl)NCCCCC[NH+]1CCNCC1 ZINC000923683298 654475898 /nfs/dbraw/zinc/47/58/98/654475898.db2.gz ZHITWRNUQGXSIW-UHFFFAOYSA-N 1 1 394.368 2.488 20 0 GEADMO CCN1CCC([N@@H+]2CCCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923683589 654476255 /nfs/dbraw/zinc/47/62/55/654476255.db2.gz KHNTYQKVOHVLMB-UHFFFAOYSA-N 1 1 385.965 2.498 20 0 GEADMO CCN1CCC([N@H+]2CCCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923683589 654476258 /nfs/dbraw/zinc/47/62/58/654476258.db2.gz KHNTYQKVOHVLMB-UHFFFAOYSA-N 1 1 385.965 2.498 20 0 GEADMO CCn1ncc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000873881059 654476661 /nfs/dbraw/zinc/47/66/61/654476661.db2.gz OGCSFCFXCFGWJO-VXGBXAGGSA-N 1 1 387.322 2.283 20 0 GEADMO C[NH+]1CCN(C(=O)C2CCN(Cc3csc(C(F)(F)F)n3)CC2)CC1 ZINC000894451799 654476868 /nfs/dbraw/zinc/47/68/68/654476868.db2.gz JKPLKMDGEFLVBM-UHFFFAOYSA-N 1 1 376.448 2.148 20 0 GEADMO CC(C)N1CC[NH+](C2CCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923689936 654477662 /nfs/dbraw/zinc/47/76/62/654477662.db2.gz OFMFPBVYOPSQJF-UHFFFAOYSA-N 1 1 385.965 2.497 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856357596 654478234 /nfs/dbraw/zinc/47/82/34/654478234.db2.gz MOCOLKILEFKNPZ-CQSZACIVSA-N 1 1 377.286 2.495 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000856357596 654478238 /nfs/dbraw/zinc/47/82/38/654478238.db2.gz MOCOLKILEFKNPZ-CQSZACIVSA-N 1 1 377.286 2.495 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCn1cc(Br)cn1 ZINC000894517133 654482614 /nfs/dbraw/zinc/48/26/14/654482614.db2.gz FLYPZGKKLCGTDC-GJZGRUSLSA-N 1 1 384.322 2.304 20 0 GEADMO CCN(C(=O)C(=O)Nc1ccc(Br)cc1OC)[C@@H]1CC[N@@H+](CC)C1 ZINC000873939478 654485830 /nfs/dbraw/zinc/48/58/30/654485830.db2.gz CORHGKXEYLITQK-CYBMUJFWSA-N 1 1 398.301 2.339 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1I ZINC000894559289 654486290 /nfs/dbraw/zinc/48/62/90/654486290.db2.gz OPIFTBWOPOLKMZ-VIFPVBQESA-N 1 1 394.257 2.028 20 0 GEADMO Cc1cc(N2CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)nc(C)[nH+]1 ZINC000906917122 654487318 /nfs/dbraw/zinc/48/73/18/654487318.db2.gz FVQRAIFYTVHZIB-GFCCVEGCSA-N 1 1 395.718 2.300 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CCN(c3cnc(Br)cn3)CC2)CC1 ZINC000856729674 654487469 /nfs/dbraw/zinc/48/74/69/654487469.db2.gz PIYMHWJQRWUMJA-UHFFFAOYSA-N 1 1 396.333 2.010 20 0 GEADMO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c(I)n1 ZINC000894572647 654487559 /nfs/dbraw/zinc/48/75/59/654487559.db2.gz JAUABJQXZRIHJM-LLVKDONJSA-N 1 1 385.253 2.138 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(I)n1 ZINC000894572647 654487563 /nfs/dbraw/zinc/48/75/63/654487563.db2.gz JAUABJQXZRIHJM-LLVKDONJSA-N 1 1 385.253 2.138 20 0 GEADMO Cn1cc(CN2CCC[C@@H](c3[nH+]ccn3C)C2)c(I)n1 ZINC000894572647 654487565 /nfs/dbraw/zinc/48/75/65/654487565.db2.gz JAUABJQXZRIHJM-LLVKDONJSA-N 1 1 385.253 2.138 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000894656073 654492904 /nfs/dbraw/zinc/49/29/04/654492904.db2.gz NVRLEQIJRPQABV-ZDUSSCGKSA-N 1 1 397.317 2.372 20 0 GEADMO CC(C)[C@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)C(F)(F)F ZINC000894681412 654494235 /nfs/dbraw/zinc/49/42/35/654494235.db2.gz RKHREMZTAGTDEV-UWVGGRQHSA-N 1 1 391.175 2.062 20 0 GEADMO O=C(NCCOC(F)(F)C(F)(F)F)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000923974116 654494893 /nfs/dbraw/zinc/49/48/93/654494893.db2.gz QRROTMIVGJOHQX-UWVGGRQHSA-N 1 1 377.379 2.037 20 0 GEADMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3ncc(Cl)s3)C2)[C@@H]1C(C)C ZINC000923977132 654495384 /nfs/dbraw/zinc/49/53/84/654495384.db2.gz QRYDEROGCLKAKV-LVRJZDEYSA-N 1 1 386.949 2.466 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856828118 654496283 /nfs/dbraw/zinc/49/62/83/654496283.db2.gz OSQUAZVAGXLSSL-AWEZNQCLSA-N 1 1 396.329 2.394 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000894768336 654498024 /nfs/dbraw/zinc/49/80/24/654498024.db2.gz IMIYGSUDQNGIKR-LBPRGKRZSA-N 1 1 383.290 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GEADMO COc1cc(Br)ccc1CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907337609 654533372 /nfs/dbraw/zinc/53/33/72/654533372.db2.gz SIJSLYLPXBCLMX-SFHVURJKSA-N 1 1 399.329 2.353 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cn(C)c(C)n3)C2)s1 ZINC000907345880 654534208 /nfs/dbraw/zinc/53/42/08/654534208.db2.gz KZGVLAJXBVYZPV-HNNXBMFYSA-N 1 1 382.555 2.241 20 0 GEADMO CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925152280 654535020 /nfs/dbraw/zinc/53/50/20/654535020.db2.gz IAYUZIOCHBHXDO-TZPNTHKFSA-N 1 1 381.567 2.145 20 0 GEADMO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925172219 654536094 /nfs/dbraw/zinc/53/60/94/654536094.db2.gz RSOYGYIJLJDUGA-IGQOVBAYSA-N 1 1 381.464 2.365 20 0 GEADMO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1CCCC[NH+]1CCOCC1 ZINC000925287127 654539626 /nfs/dbraw/zinc/53/96/26/654539626.db2.gz YXPHRZAYMBSHPF-HNNXBMFYSA-N 1 1 396.285 2.154 20 0 GEADMO C[N@H+]1CCC[C@H]1CN1C(=O)N[C@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000925288037 654539685 /nfs/dbraw/zinc/53/96/85/654539685.db2.gz BECDXBQQVQOAPK-YJBOKZPZSA-N 1 1 392.297 2.323 20 0 GEADMO COc1ccc([C@@H]2NC(=O)N(C[C@@H]3CCC[N@H+]3C)C2=O)cc1Br ZINC000925294880 654540081 /nfs/dbraw/zinc/54/00/81/654540081.db2.gz VULDXIDOGZDBAM-FZMZJTMJSA-N 1 1 382.258 2.145 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2ncc(Cl)cc12 ZINC000907419958 654541149 /nfs/dbraw/zinc/54/11/49/654541149.db2.gz RLKMUEZMLLSCIB-OLZOCXBDSA-N 1 1 386.930 2.074 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2ncc(Cl)cc12 ZINC000907419958 654541152 /nfs/dbraw/zinc/54/11/52/654541152.db2.gz RLKMUEZMLLSCIB-OLZOCXBDSA-N 1 1 386.930 2.074 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)oc1Cl ZINC000907428791 654542229 /nfs/dbraw/zinc/54/22/29/654542229.db2.gz AZSYNOVEDFIJKK-UHFFFAOYSA-N 1 1 390.889 2.405 20 0 GEADMO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000925380471 654543206 /nfs/dbraw/zinc/54/32/06/654543206.db2.gz QQQSUAMNZAHGMG-INIZCTEOSA-N 1 1 398.326 2.462 20 0 GEADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000925401419 654544026 /nfs/dbraw/zinc/54/40/26/654544026.db2.gz WVWTUMQYAOESIX-LBPRGKRZSA-N 1 1 385.295 2.165 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Br)n1 ZINC000925472716 654545350 /nfs/dbraw/zinc/54/53/50/654545350.db2.gz STFGLXBVGCVPKQ-WCQYABFASA-N 1 1 378.274 2.424 20 0 GEADMO O=C(NCCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(Br)c1 ZINC000925548721 654545850 /nfs/dbraw/zinc/54/58/50/654545850.db2.gz DEKRKXCOVLMIGN-XSIBGMEISA-N 1 1 378.314 2.155 20 0 GEADMO Cc1cnc(Br)c(NC(=O)NCCCCC[NH+]2CCNCC2)c1 ZINC000926122027 654559856 /nfs/dbraw/zinc/55/98/56/654559856.db2.gz APKNJQUVBSZETD-UHFFFAOYSA-N 1 1 384.322 2.350 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1nc(Br)cs1)C2 ZINC000926159426 654561637 /nfs/dbraw/zinc/56/16/37/654561637.db2.gz KFANVZQHNFAVTF-NDLNZWKESA-N 1 1 388.331 2.115 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926161987 654561707 /nfs/dbraw/zinc/56/17/07/654561707.db2.gz RVPMERIYFIZAEW-FAELENHSSA-N 1 1 396.329 2.362 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926161988 654561813 /nfs/dbraw/zinc/56/18/13/654561813.db2.gz RVPMERIYFIZAEW-GQGSAGHOSA-N 1 1 396.329 2.362 20 0 GEADMO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Br)n1 ZINC000926165091 654561903 /nfs/dbraw/zinc/56/19/03/654561903.db2.gz PEQRSOPBZOFGOY-ADAWSYLGSA-N 1 1 396.329 2.362 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)c(O)c1)C2 ZINC000926167247 654562182 /nfs/dbraw/zinc/56/21/82/654562182.db2.gz SWHZOMCTFNMKHX-GFOCRRMGSA-N 1 1 397.313 2.364 20 0 GEADMO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cnnn3C)C2=O)ccc1Br ZINC000926181453 654562557 /nfs/dbraw/zinc/56/25/57/654562557.db2.gz CEXAGZJKEMQMQZ-FZMZJTMJSA-N 1 1 378.274 2.342 20 0 GEADMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)nc3)C2)[C@H]1C(C)C ZINC000926247491 654564144 /nfs/dbraw/zinc/56/41/44/654564144.db2.gz QONFKJQLUPQEIX-SZXPJGKVSA-N 1 1 396.329 2.444 20 0 GEADMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)cn3C)C2)[C@H]1C(C)C ZINC000926257391 654565081 /nfs/dbraw/zinc/56/50/81/654565081.db2.gz DYGGYIAUEMEXIG-IIVZCXTMSA-N 1 1 398.345 2.387 20 0 GEADMO CC(C)NS(=O)(=O)NCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000926280999 654565579 /nfs/dbraw/zinc/56/55/79/654565579.db2.gz LKEGSWSODUKRJC-QGZVFWFLSA-N 1 1 382.917 2.246 20 0 GEADMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000926412195 654570475 /nfs/dbraw/zinc/57/04/75/654570475.db2.gz ARZFGDKYHWZMIV-ZDUSSCGKSA-N 1 1 375.213 2.112 20 0 GEADMO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc(Br)ccc1F ZINC000926415461 654570609 /nfs/dbraw/zinc/57/06/09/654570609.db2.gz SSVWCWQVTGAVNB-MNOVXSKESA-N 1 1 394.310 2.448 20 0 GEADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000907744978 654573032 /nfs/dbraw/zinc/57/30/32/654573032.db2.gz WAJXSTSUQJKWIL-DOTOQJQBSA-N 1 1 375.296 2.380 20 0 GEADMO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1nc(Br)ccc1F ZINC000926874878 654583910 /nfs/dbraw/zinc/58/39/10/654583910.db2.gz XRJHLLMSJVDHFA-SECBINFHSA-N 1 1 380.283 2.058 20 0 GEADMO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000926980440 654587042 /nfs/dbraw/zinc/58/70/42/654587042.db2.gz QKFZCGUFCKYHLH-OAHLLOKOSA-N 1 1 390.285 2.257 20 0 GEADMO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000926980440 654587044 /nfs/dbraw/zinc/58/70/44/654587044.db2.gz QKFZCGUFCKYHLH-OAHLLOKOSA-N 1 1 390.285 2.257 20 0 GEADMO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908000622 654595869 /nfs/dbraw/zinc/59/58/69/654595869.db2.gz IERYJXHTJLTULW-GJZGRUSLSA-N 1 1 379.309 2.213 20 0 GEADMO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908000622 654595872 /nfs/dbraw/zinc/59/58/72/654595872.db2.gz IERYJXHTJLTULW-GJZGRUSLSA-N 1 1 379.309 2.213 20 0 GEADMO Cc1cccc(NCCNC(=O)N(C)CCn2cc(Br)cn2)[nH+]1 ZINC000927481961 654601847 /nfs/dbraw/zinc/60/18/47/654601847.db2.gz MMZATQSGVDKFND-UHFFFAOYSA-N 1 1 381.278 2.103 20 0 GEADMO C[C@@H](C(=O)NCc1cn(C)nc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000927630914 654607941 /nfs/dbraw/zinc/60/79/41/654607941.db2.gz ICFUHOYEZMKIQH-LBPRGKRZSA-N 1 1 377.286 2.246 20 0 GEADMO C[C@@H](C(=O)NCc1cn(C)nc1Br)[N@H+]1CCc2ccccc2C1 ZINC000927630914 654607945 /nfs/dbraw/zinc/60/79/45/654607945.db2.gz ICFUHOYEZMKIQH-LBPRGKRZSA-N 1 1 377.286 2.246 20 0 GEADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000908152970 654608845 /nfs/dbraw/zinc/60/88/45/654608845.db2.gz WBWNANHFBYSBDH-WBVHZDCISA-N 1 1 375.296 2.380 20 0 GEADMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc2c(cc1Br)OCO2 ZINC000928071729 654628721 /nfs/dbraw/zinc/62/87/21/654628721.db2.gz DCRACRCKDTYHBY-QWHCGFSZSA-N 1 1 399.310 2.487 20 0 GEADMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc2c(cc1Br)OCO2 ZINC000928071729 654628722 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398.301 2.196 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(S(=O)(=O)NC)cs2)c1 ZINC000176157920 532127951 /nfs/dbraw/zinc/12/79/51/532127951.db2.gz LPQHKBCVOVKKST-UHFFFAOYSA-N 1 1 381.523 2.038 20 0 GEADMO COC(=O)Cn1cc(CC[N@@H+](Cc2cccc(Br)c2)C2CC2)nn1 ZINC000124796851 532129864 /nfs/dbraw/zinc/12/98/64/532129864.db2.gz QAYRXDDCAHLKHY-UHFFFAOYSA-N 1 1 393.285 2.421 20 0 GEADMO COC(=O)c1sccc1S(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000124979629 532131659 /nfs/dbraw/zinc/13/16/59/532131659.db2.gz FRJUTBNDEGPPKD-UHFFFAOYSA-N 1 1 386.470 2.084 20 0 GEADMO COC(=O)c1sccc1S(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000124979629 532131663 /nfs/dbraw/zinc/13/16/63/532131663.db2.gz FRJUTBNDEGPPKD-UHFFFAOYSA-N 1 1 386.470 2.084 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000125097497 532133293 /nfs/dbraw/zinc/13/32/93/532133293.db2.gz ZJVFBVMLTTYQQM-UHFFFAOYSA-N 1 1 388.693 2.043 20 0 GEADMO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1CS(C)(=O)=O ZINC000127092842 532153162 /nfs/dbraw/zinc/15/31/62/532153162.db2.gz ZZYOXWLIRDRASL-UHFFFAOYSA-N 1 1 384.523 2.398 20 0 GEADMO Cn1c(C[NH2+]CCNS(=O)(=O)c2cccs2)nc2cc(Cl)ccc21 ZINC000125756906 532143309 /nfs/dbraw/zinc/14/33/09/532143309.db2.gz NFQFZRWWDPOMAF-UHFFFAOYSA-N 1 1 384.914 2.356 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CSCC(F)(F)F)c1 ZINC000126219497 532145997 /nfs/dbraw/zinc/14/59/97/532145997.db2.gz OIZQPPBNXACMIK-CYBMUJFWSA-N 1 1 375.416 2.370 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CSCC(F)(F)F)c1 ZINC000126219497 532146000 /nfs/dbraw/zinc/14/60/00/532146000.db2.gz OIZQPPBNXACMIK-CYBMUJFWSA-N 1 1 375.416 2.370 20 0 GEADMO COc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000126275346 532147580 /nfs/dbraw/zinc/14/75/80/532147580.db2.gz TVOARFFVXBHFSC-QWRGUYRKSA-N 1 1 389.315 2.361 20 0 GEADMO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000177029455 532159286 /nfs/dbraw/zinc/15/92/86/532159286.db2.gz ZGLYMPFITNFMAU-LBPRGKRZSA-N 1 1 398.301 2.243 20 0 GEADMO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177119829 532162385 /nfs/dbraw/zinc/16/23/85/532162385.db2.gz FWYYQFWEVBQXEY-UHFFFAOYSA-N 1 1 386.279 2.255 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)cc2I)C1 ZINC000177818210 532184411 /nfs/dbraw/zinc/18/44/11/532184411.db2.gz ULPPXCBIDUMQAW-LBPRGKRZSA-N 1 1 378.185 2.090 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)cc2I)C1 ZINC000177818210 532184416 /nfs/dbraw/zinc/18/44/16/532184416.db2.gz ULPPXCBIDUMQAW-LBPRGKRZSA-N 1 1 378.185 2.090 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129115508 532172900 /nfs/dbraw/zinc/17/29/00/532172900.db2.gz SJCKGTBLJKJDSY-HUUCEWRRSA-N 1 1 396.329 2.430 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129115508 532172905 /nfs/dbraw/zinc/17/29/05/532172905.db2.gz SJCKGTBLJKJDSY-HUUCEWRRSA-N 1 1 396.329 2.430 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cc1cc(F)ccc1Br ZINC000131231547 532195007 /nfs/dbraw/zinc/19/50/07/532195007.db2.gz UTULRLFOCNHSBN-UHFFFAOYSA-N 1 1 386.309 2.227 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000131571720 532199600 /nfs/dbraw/zinc/19/96/00/532199600.db2.gz QVJKKOMYXCPZPE-MRXNPFEDSA-N 1 1 381.314 2.396 20 0 GEADMO CN1CC[NH+](CCCSc2nnc(SCc3ccccc3)n2N)CC1 ZINC000130087917 532189407 /nfs/dbraw/zinc/18/94/07/532189407.db2.gz QHSWVZOOVYNRJD-UHFFFAOYSA-N 1 1 378.571 2.014 20 0 GEADMO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)CN1CC[NH+](C)CC1 ZINC000178555527 532204825 /nfs/dbraw/zinc/20/48/25/532204825.db2.gz ZYVSJCATKNWYTA-NSHDSACASA-N 1 1 378.826 2.367 20 0 GEADMO COC[C@@](C)(CCO)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000132516110 532216861 /nfs/dbraw/zinc/21/68/61/532216861.db2.gz JCWMHNFKHCNLMQ-CYBMUJFWSA-N 1 1 376.276 2.438 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000131694793 532202165 /nfs/dbraw/zinc/20/21/65/532202165.db2.gz YUBQCLCCBUJKCZ-AWEZNQCLSA-N 1 1 380.286 2.459 20 0 GEADMO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)n1 ZINC000133072004 532226790 /nfs/dbraw/zinc/22/67/90/532226790.db2.gz RHKLCULRYMPIBQ-CYBMUJFWSA-N 1 1 383.290 2.339 20 0 GEADMO CC(C)n1cc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000179660816 532240095 /nfs/dbraw/zinc/24/00/95/532240095.db2.gz SHGAIOPYQVJPRS-UHFFFAOYSA-N 1 1 382.452 2.252 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179730297 532241952 /nfs/dbraw/zinc/24/19/52/532241952.db2.gz OPOMKCYEUBQPDL-LBPRGKRZSA-N 1 1 383.290 2.082 20 0 GEADMO COc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)sc1Br ZINC000133834374 532243583 /nfs/dbraw/zinc/24/35/83/532243583.db2.gz ASMIQOKOYKHKGG-NSHDSACASA-N 1 1 391.331 2.486 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000134011481 532247798 /nfs/dbraw/zinc/24/77/98/532247798.db2.gz UTUZSDOFQHEAKV-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO Brc1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc2c1OCCO2 ZINC000179930216 532250723 /nfs/dbraw/zinc/25/07/23/532250723.db2.gz FZYYPUOUKOSJCE-CQSZACIVSA-N 1 1 397.313 2.374 20 0 GEADMO Brc1cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc2c1OCCO2 ZINC000179930216 532250728 /nfs/dbraw/zinc/25/07/28/532250728.db2.gz FZYYPUOUKOSJCE-CQSZACIVSA-N 1 1 397.313 2.374 20 0 GEADMO COCC[N@@H+](C)CCNCc1ncc(Br)cc1Br ZINC000135301058 532270388 /nfs/dbraw/zinc/27/03/88/532270388.db2.gz OORUOGAUIXGVGW-UHFFFAOYSA-N 1 1 381.112 2.274 20 0 GEADMO COCCN(C)CC[NH2+]Cc1ncc(Br)cc1Br ZINC000135301058 532270397 /nfs/dbraw/zinc/27/03/97/532270397.db2.gz OORUOGAUIXGVGW-UHFFFAOYSA-N 1 1 381.112 2.274 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000180408716 532270522 /nfs/dbraw/zinc/27/05/22/532270522.db2.gz AKMGQHNMZKZGTG-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[N@@H+](C)C1CC1 ZINC000180048163 532255254 /nfs/dbraw/zinc/25/52/54/532255254.db2.gz HRAWNOKUMISOID-MRVPVSSYSA-N 1 1 390.228 2.265 20 0 GEADMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134447998 532255704 /nfs/dbraw/zinc/25/57/04/532255704.db2.gz KMGNMHWNXAFSPA-RYUDHWBXSA-N 1 1 377.432 2.325 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134766682 532262442 /nfs/dbraw/zinc/26/24/42/532262442.db2.gz LBVDNRZNEUBHHW-CYBMUJFWSA-N 1 1 391.299 2.177 20 0 GEADMO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180767539 532280547 /nfs/dbraw/zinc/28/05/47/532280547.db2.gz RZZJDFMFGDLLCC-CABZTGNLSA-N 1 1 382.379 2.043 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Br)ccc2C)[C@@H](C)C1 ZINC000180859927 532283800 /nfs/dbraw/zinc/28/38/00/532283800.db2.gz OUPKKAWXKGMWMY-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Br)ccc2C)[C@@H](C)C1 ZINC000180859927 532283803 /nfs/dbraw/zinc/28/38/03/532283803.db2.gz OUPKKAWXKGMWMY-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000136730333 532286732 /nfs/dbraw/zinc/28/67/32/532286732.db2.gz VOPMXGAUTGXLRZ-CYBMUJFWSA-N 1 1 392.301 2.444 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136978492 532288643 /nfs/dbraw/zinc/28/86/43/532288643.db2.gz IULQORWNSMBJLG-CQSZACIVSA-N 1 1 381.318 2.086 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136978545 532288744 /nfs/dbraw/zinc/28/87/44/532288744.db2.gz IULQORWNSMBJLG-AWEZNQCLSA-N 1 1 381.318 2.086 20 0 GEADMO Cn1ncnc1NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000181276514 532294842 /nfs/dbraw/zinc/29/48/42/532294842.db2.gz GBKGQUBOWSZFMN-UHFFFAOYSA-N 1 1 393.289 2.364 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCc2cc(Br)cs2)cn1 ZINC000181396482 532296838 /nfs/dbraw/zinc/29/68/38/532296838.db2.gz MJAXYONQDUQJFN-AWEZNQCLSA-N 1 1 383.315 2.350 20 0 GEADMO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181414204 532298096 /nfs/dbraw/zinc/29/80/96/532298096.db2.gz CGTFEHLDYXEOCX-XYPHTWIQSA-N 1 1 385.350 2.392 20 0 GEADMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cc(F)c(Cl)cc1Cl ZINC000181644371 532304056 /nfs/dbraw/zinc/30/40/56/532304056.db2.gz FMMZTCPFAYOIKI-SECBINFHSA-N 1 1 395.287 2.495 20 0 GEADMO C[C@H](NC(=O)NCCCc1cccc(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000151054035 532306197 /nfs/dbraw/zinc/30/61/97/532306197.db2.gz SZIWIXZRLZBCEH-XJKSGUPXSA-N 1 1 384.318 2.400 20 0 GEADMO C[C@H](NC(=O)NCCCc1cccc(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000151054035 532306201 /nfs/dbraw/zinc/30/62/01/532306201.db2.gz SZIWIXZRLZBCEH-XJKSGUPXSA-N 1 1 384.318 2.400 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183383586 532324639 /nfs/dbraw/zinc/32/46/39/532324639.db2.gz PKTWDMZZTHVLLF-JTQLQIEISA-N 1 1 384.274 2.240 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1Br ZINC000183451811 532325324 /nfs/dbraw/zinc/32/53/24/532325324.db2.gz LBORLPNRSDNGBO-HNNXBMFYSA-N 1 1 390.281 2.341 20 0 GEADMO CO[C@H](C)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000182239431 532310513 /nfs/dbraw/zinc/31/05/13/532310513.db2.gz UTEBRJOMGOYUOA-LLVKDONJSA-N 1 1 397.360 2.242 20 0 GEADMO CO[C@H](C)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000182239431 532310514 /nfs/dbraw/zinc/31/05/14/532310514.db2.gz UTEBRJOMGOYUOA-LLVKDONJSA-N 1 1 397.360 2.242 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000182514847 532314666 /nfs/dbraw/zinc/31/46/66/532314666.db2.gz DYXPPGGCHNITGM-UHFFFAOYSA-N 1 1 383.334 2.228 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182845961 532318743 /nfs/dbraw/zinc/31/87/43/532318743.db2.gz AWJKSSUAPXOZQR-UHFFFAOYSA-N 1 1 394.273 2.145 20 0 GEADMO CN(CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000182962929 532320178 /nfs/dbraw/zinc/32/01/78/532320178.db2.gz HYLAXFDFBNEQHA-UHFFFAOYSA-N 1 1 398.305 2.161 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C[N@@H+]1C1CC1 ZINC000185120594 532336800 /nfs/dbraw/zinc/33/68/00/532336800.db2.gz IMXPPOQZHSAAKP-MWLCHTKSSA-N 1 1 377.279 2.492 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C[N@H+]1C1CC1 ZINC000185120594 532336801 /nfs/dbraw/zinc/33/68/01/532336801.db2.gz IMXPPOQZHSAAKP-MWLCHTKSSA-N 1 1 377.279 2.492 20 0 GEADMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(Br)cc3N)CC2)CCO1 ZINC000185253408 532337302 /nfs/dbraw/zinc/33/73/02/532337302.db2.gz QFMIVMOBSFBELV-LBPRGKRZSA-N 1 1 382.302 2.357 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCOc1cccc(Br)c1 ZINC000185307012 532337533 /nfs/dbraw/zinc/33/75/33/532337533.db2.gz VTUABYVPFSYJJX-HNNXBMFYSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000185585939 532337979 /nfs/dbraw/zinc/33/79/79/532337979.db2.gz YKQZSSGQJBAQNQ-NWDGAFQWSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@@H](CNC(=O)N1Cc2cccc(Br)c2C1)CN1CC[NH+](C)CC1 ZINC000185815801 532338867 /nfs/dbraw/zinc/33/88/67/532338867.db2.gz ZAWMAUYWNWMWBY-AWEZNQCLSA-N 1 1 395.345 2.358 20 0 GEADMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185897349 532338963 /nfs/dbraw/zinc/33/89/63/532338963.db2.gz NLUCHMIDGXNTTD-CYBMUJFWSA-N 1 1 389.315 2.147 20 0 GEADMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185897349 532338964 /nfs/dbraw/zinc/33/89/64/532338964.db2.gz NLUCHMIDGXNTTD-CYBMUJFWSA-N 1 1 389.315 2.147 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000186139786 532339978 /nfs/dbraw/zinc/33/99/78/532339978.db2.gz PSKUECOXPOURNP-CYBMUJFWSA-N 1 1 387.322 2.210 20 0 GEADMO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000186298009 532340486 /nfs/dbraw/zinc/34/04/86/532340486.db2.gz FCUDWIQKKAUZOK-DLBZAZTESA-N 1 1 399.329 2.234 20 0 GEADMO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000186298009 532340487 /nfs/dbraw/zinc/34/04/87/532340487.db2.gz FCUDWIQKKAUZOK-DLBZAZTESA-N 1 1 399.329 2.234 20 0 GEADMO O=C(CCSc1ccccc1Cl)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186609622 532341372 /nfs/dbraw/zinc/34/13/72/532341372.db2.gz LRGBECQQSCPDMT-AWEZNQCLSA-N 1 1 381.929 2.245 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)c1ccco1 ZINC000186707025 532341729 /nfs/dbraw/zinc/34/17/29/532341729.db2.gz MBFNRPUKIXVLBQ-CYBMUJFWSA-N 1 1 376.429 2.103 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1(CO)CC1 ZINC000186806547 532342098 /nfs/dbraw/zinc/34/20/98/532342098.db2.gz REXPPCCPHLMGNN-LLVKDONJSA-N 1 1 388.249 2.323 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC1(CO)CC1 ZINC000186806547 532342099 /nfs/dbraw/zinc/34/20/99/532342099.db2.gz REXPPCCPHLMGNN-LLVKDONJSA-N 1 1 388.249 2.323 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000186861567 532342387 /nfs/dbraw/zinc/34/23/87/532342387.db2.gz PNURYEZELGXDGN-GFCCVEGCSA-N 1 1 383.279 2.318 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000186907567 532342540 /nfs/dbraw/zinc/34/25/40/532342540.db2.gz VRCHRKVCXQUHSU-LBPRGKRZSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000186946275 532342894 /nfs/dbraw/zinc/34/28/94/532342894.db2.gz LRNONCXXYPYTGV-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000187096802 532343045 /nfs/dbraw/zinc/34/30/45/532343045.db2.gz MBOWOEJCPWJHHZ-NSHDSACASA-N 1 1 398.276 2.436 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCc2c1cccc2Br ZINC000187142003 532343403 /nfs/dbraw/zinc/34/34/03/532343403.db2.gz JELCTEPLZYYITF-INIZCTEOSA-N 1 1 382.302 2.458 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000183738113 532328360 /nfs/dbraw/zinc/32/83/60/532328360.db2.gz RZYYDESYDXGART-JTQLQIEISA-N 1 1 395.294 2.312 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000183738113 532328362 /nfs/dbraw/zinc/32/83/62/532328362.db2.gz RZYYDESYDXGART-JTQLQIEISA-N 1 1 395.294 2.312 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184304373 532331732 /nfs/dbraw/zinc/33/17/32/532331732.db2.gz ARUCHYQPBJAMBH-OAHLLOKOSA-N 1 1 382.346 2.442 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000184330405 532332058 /nfs/dbraw/zinc/33/20/58/532332058.db2.gz AFTZFWGINJTPIM-HUUCEWRRSA-N 1 1 398.345 2.359 20 0 GEADMO COc1ccc(Br)c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184376302 532332235 /nfs/dbraw/zinc/33/22/35/532332235.db2.gz RRRRDEBUNUYHOE-ZDUSSCGKSA-N 1 1 384.318 2.214 20 0 GEADMO COc1nc(N2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)ncc1Br ZINC000184672413 532334437 /nfs/dbraw/zinc/33/44/37/532334437.db2.gz DJALEQQHCIAINN-GFCCVEGCSA-N 1 1 385.306 2.327 20 0 GEADMO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958877 532336121 /nfs/dbraw/zinc/33/61/21/532336121.db2.gz DOJOSPYGWMUDIL-MRVPVSSYSA-N 1 1 383.271 2.418 20 0 GEADMO O=C1NCCN1C1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000184966652 532336395 /nfs/dbraw/zinc/33/63/95/532336395.db2.gz NBFKNRVESYZRTH-HNNXBMFYSA-N 1 1 386.265 2.111 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000187825388 532345780 /nfs/dbraw/zinc/34/57/80/532345780.db2.gz QTLRNYZLOHVGJB-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000187825388 532345781 /nfs/dbraw/zinc/34/57/81/532345781.db2.gz QTLRNYZLOHVGJB-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(C)nc1OC ZINC000188125124 532346777 /nfs/dbraw/zinc/34/67/77/532346777.db2.gz JBMMIXDDDDXJEB-GFCCVEGCSA-N 1 1 386.290 2.002 20 0 GEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCS1 ZINC000188135141 532346898 /nfs/dbraw/zinc/34/68/98/532346898.db2.gz MYJBXSZTFQKEFR-MJGOQNOKSA-N 1 1 380.579 2.321 20 0 GEADMO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)nn1 ZINC000191350764 532360596 /nfs/dbraw/zinc/36/05/96/532360596.db2.gz IZDQKNGYPSLUJZ-CYBMUJFWSA-N 1 1 383.290 2.325 20 0 GEADMO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000189149167 532351083 /nfs/dbraw/zinc/35/10/83/532351083.db2.gz QEOQDVFNYVXZFK-QWHCGFSZSA-N 1 1 384.318 2.271 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000189166490 532351196 /nfs/dbraw/zinc/35/11/96/532351196.db2.gz CWLJNRUZIKTPOE-GFCCVEGCSA-N 1 1 386.290 2.378 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000189166490 532351197 /nfs/dbraw/zinc/35/11/97/532351197.db2.gz CWLJNRUZIKTPOE-GFCCVEGCSA-N 1 1 386.290 2.378 20 0 GEADMO Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000189421042 532352196 /nfs/dbraw/zinc/35/21/96/532352196.db2.gz MHONUESBALDAQX-AWEZNQCLSA-N 1 1 383.334 2.193 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000189561480 532352822 /nfs/dbraw/zinc/35/28/22/532352822.db2.gz ZLUSOXRGAOXUTL-CHWSQXEVSA-N 1 1 385.302 2.107 20 0 GEADMO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC1(O)CCOCC1 ZINC000189767526 532353604 /nfs/dbraw/zinc/35/36/04/532353604.db2.gz REXVZEGDEXYREE-UHFFFAOYSA-N 1 1 393.228 2.139 20 0 GEADMO CC(C)(O)C[N@@H+](CC(=O)Nc1cccc(I)c1)C1CC1 ZINC000189905288 532354040 /nfs/dbraw/zinc/35/40/40/532354040.db2.gz FVBSJSZIECTYSU-UHFFFAOYSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1CCO ZINC000190248049 532355289 /nfs/dbraw/zinc/35/52/89/532355289.db2.gz OVVNYUUCVRVELF-CYBMUJFWSA-N 1 1 385.302 2.109 20 0 GEADMO O=C(Cc1ccc(I)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000190884711 532358598 /nfs/dbraw/zinc/35/85/98/532358598.db2.gz QLFLOLSKWROSEE-CYBMUJFWSA-N 1 1 384.261 2.434 20 0 GEADMO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000190950020 532358857 /nfs/dbraw/zinc/35/88/57/532358857.db2.gz OUSRPQCHVORCPL-UHFFFAOYSA-N 1 1 393.285 2.429 20 0 GEADMO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1ccc(I)cc1 ZINC000191166740 532359812 /nfs/dbraw/zinc/35/98/12/532359812.db2.gz NUVOJXYRTSWWDX-QWRGUYRKSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC[N@@H+]1CCO ZINC000187278657 532343883 /nfs/dbraw/zinc/34/38/83/532343883.db2.gz SNBWYBDBMJSOIE-JTQLQIEISA-N 1 1 384.249 2.208 20 0 GEADMO C[C@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC[N@H+]1CCO ZINC000187278657 532343884 /nfs/dbraw/zinc/34/38/84/532343884.db2.gz SNBWYBDBMJSOIE-JTQLQIEISA-N 1 1 384.249 2.208 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1CCO ZINC000187694737 532345090 /nfs/dbraw/zinc/34/50/90/532345090.db2.gz WQPCOBZUINIDBL-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1CCO ZINC000187694737 532345091 /nfs/dbraw/zinc/34/50/91/532345091.db2.gz WQPCOBZUINIDBL-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000372136002 532373369 /nfs/dbraw/zinc/37/33/69/532373369.db2.gz ILJHEPOUSPQXRU-ZDUSSCGKSA-N 1 1 383.905 2.490 20 0 GEADMO CC[N@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000515888239 532374015 /nfs/dbraw/zinc/37/40/15/532374015.db2.gz OFWFLBWOPZPDNJ-GFCCVEGCSA-N 1 1 383.286 2.315 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000425214102 532374514 /nfs/dbraw/zinc/37/45/14/532374514.db2.gz IMARHIAAIWZATJ-SMDDNHRTSA-N 1 1 389.315 2.172 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000191938007 532375331 /nfs/dbraw/zinc/37/53/31/532375331.db2.gz KXYJVKJKHKLZEU-UHFFFAOYSA-N 1 1 398.276 2.389 20 0 GEADMO CCC(CC)[C@H](CNC(=O)c1cc(Br)nn1C)[NH+]1CCOCC1 ZINC000191926241 532375960 /nfs/dbraw/zinc/37/59/60/532375960.db2.gz MMMLRKNUNLIEGJ-AWEZNQCLSA-N 1 1 387.322 2.049 20 0 GEADMO COc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278391512 532376692 /nfs/dbraw/zinc/37/66/92/532376692.db2.gz MMRFSZOZNICWFI-ZDUSSCGKSA-N 1 1 388.917 2.222 20 0 GEADMO COc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278391512 532376698 /nfs/dbraw/zinc/37/66/98/532376698.db2.gz MMRFSZOZNICWFI-ZDUSSCGKSA-N 1 1 388.917 2.222 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000278395163 532376728 /nfs/dbraw/zinc/37/67/28/532376728.db2.gz MZWKBMHIWSIPJC-GFCCVEGCSA-N 1 1 376.881 2.353 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000278395163 532376734 /nfs/dbraw/zinc/37/67/34/532376734.db2.gz MZWKBMHIWSIPJC-GFCCVEGCSA-N 1 1 376.881 2.353 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000677540637 532377205 /nfs/dbraw/zinc/37/72/05/532377205.db2.gz FFVNJRFIQAMQSA-JTQLQIEISA-N 1 1 377.304 2.360 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)c(Br)s2)C1 ZINC000677540637 532377212 /nfs/dbraw/zinc/37/72/12/532377212.db2.gz FFVNJRFIQAMQSA-JTQLQIEISA-N 1 1 377.304 2.360 20 0 GEADMO COc1c(Br)cc(Br)cc1C[NH2+]C1(C(N)=O)CC1 ZINC000191486970 532361185 /nfs/dbraw/zinc/36/11/85/532361185.db2.gz KIUURBGPEHTHDV-UHFFFAOYSA-N 1 1 378.064 2.328 20 0 GEADMO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000621656209 532364712 /nfs/dbraw/zinc/36/47/12/532364712.db2.gz JHPZMCFSLFYLKO-CQSZACIVSA-N 1 1 390.237 2.360 20 0 GEADMO C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)n1cc(Br)cn1 ZINC000647028216 532365302 /nfs/dbraw/zinc/36/53/02/532365302.db2.gz WPCXOLHFXBCGQS-WFASDCNBSA-N 1 1 378.274 2.165 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000463061663 532365623 /nfs/dbraw/zinc/36/56/23/532365623.db2.gz QRXWLFZDCZGPFH-GXFFZTMASA-N 1 1 379.258 2.427 20 0 GEADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000677177535 532366960 /nfs/dbraw/zinc/36/69/60/532366960.db2.gz PEWRWGNTUDYQAT-UHFFFAOYSA-N 1 1 381.523 2.036 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000590316505 532367452 /nfs/dbraw/zinc/36/74/52/532367452.db2.gz GBGGMTCZUIZPCK-GFCCVEGCSA-N 1 1 378.523 2.189 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C ZINC000677218504 532367552 /nfs/dbraw/zinc/36/75/52/532367552.db2.gz KSCYNZURDCVFBY-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C ZINC000677218504 532367559 /nfs/dbraw/zinc/36/75/59/532367559.db2.gz KSCYNZURDCVFBY-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[NH+](C)CC1 ZINC000191805759 532368101 /nfs/dbraw/zinc/36/81/01/532368101.db2.gz CZCDDMQASYDQAS-HIFRSBDPSA-N 1 1 385.339 2.324 20 0 GEADMO CC(C)(CO)[NH+]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000677647822 532379402 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ZINC000738218455 599158085 /nfs/dbraw/zinc/15/80/85/599158085.db2.gz FIEDXKSWPCBCKI-MRXNPFEDSA-N 1 1 378.436 2.331 20 0 GEADMO CCCCC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)C ZINC000736452903 599168951 /nfs/dbraw/zinc/16/89/51/599168951.db2.gz YCGVOYQLWVFTGW-HXUWFJFHSA-N 1 1 399.499 2.492 20 0 GEADMO Cc1ccc(N(C)C2CCN(c3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2)nn1 ZINC000737346062 599173960 /nfs/dbraw/zinc/17/39/60/599173960.db2.gz CVVJCAQSAMSHDO-UHFFFAOYSA-N 1 1 379.472 2.082 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736189951 599221155 /nfs/dbraw/zinc/22/11/55/599221155.db2.gz UYEHJHNCHAXRER-RDJZCZTQSA-N 1 1 393.447 2.452 20 0 GEADMO O=c1c2ccccc2ncn1CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738378906 599234756 /nfs/dbraw/zinc/23/47/56/599234756.db2.gz BHJYDABWILRXEO-UHFFFAOYSA-N 1 1 387.447 2.241 20 0 GEADMO Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000818958991 597087124 /nfs/dbraw/zinc/08/71/24/597087124.db2.gz VZRBASGSFFOQCJ-SFHVURJKSA-N 1 1 387.524 2.262 20 0 GEADMO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000737739876 599271873 /nfs/dbraw/zinc/27/18/73/599271873.db2.gz RJKNGLQRIDTFAB-SJORKVTESA-N 1 1 380.477 2.183 20 0 GEADMO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000737739876 599271875 /nfs/dbraw/zinc/27/18/75/599271875.db2.gz RJKNGLQRIDTFAB-SJORKVTESA-N 1 1 380.477 2.183 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000737739871 599272144 /nfs/dbraw/zinc/27/21/44/599272144.db2.gz RJKNGLQRIDTFAB-IAGOWNOFSA-N 1 1 380.477 2.183 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000737739871 599272147 /nfs/dbraw/zinc/27/21/47/599272147.db2.gz RJKNGLQRIDTFAB-IAGOWNOFSA-N 1 1 380.477 2.183 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](O)COc3ccccc3)c2c1 ZINC000737249261 599272690 /nfs/dbraw/zinc/27/26/90/599272690.db2.gz VELVDAHTSGJZHY-HNNXBMFYSA-N 1 1 390.447 2.305 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@H+]1C ZINC000820658848 599276474 /nfs/dbraw/zinc/27/64/74/599276474.db2.gz VBJGJZKRXMBDKT-MWLCHTKSSA-N 1 1 381.387 2.072 20 0 GEADMO c1cc([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)n[nH]1 ZINC000738407184 599291018 /nfs/dbraw/zinc/29/10/18/599291018.db2.gz YAHAGTOVFOYBLD-CQSZACIVSA-N 1 1 377.412 2.019 20 0 GEADMO c1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)n[nH]1 ZINC000738407184 599291022 /nfs/dbraw/zinc/29/10/22/599291022.db2.gz YAHAGTOVFOYBLD-CQSZACIVSA-N 1 1 377.412 2.019 20 0 GEADMO C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000824983558 608391831 /nfs/dbraw/zinc/39/18/31/608391831.db2.gz BNAYKZNKPKKEBA-KXBFYZLASA-N 1 1 396.470 2.246 20 0 GEADMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737148954 598247276 /nfs/dbraw/zinc/24/72/76/598247276.db2.gz CWKYNGRJPAVIAN-UHFFFAOYSA-N 1 1 380.452 2.378 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738388905 598253358 /nfs/dbraw/zinc/25/33/58/598253358.db2.gz UHFPWYWGHZHXHH-WMZOPIPTSA-N 1 1 383.427 2.235 20 0 GEADMO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424797 598255236 /nfs/dbraw/zinc/25/52/36/598255236.db2.gz XOUBDDVITJKNOT-SFHVURJKSA-N 1 1 376.464 2.281 20 0 GEADMO COc1c(C)cc(C[N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737025295 598257740 /nfs/dbraw/zinc/25/77/40/598257740.db2.gz YIYUGDNGMASOGB-GOSISDBHSA-N 1 1 397.479 2.364 20 0 GEADMO COc1c(C)cc(C[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000737023927 598257763 /nfs/dbraw/zinc/25/77/63/598257763.db2.gz QHHJTOBTKLDDME-UHFFFAOYSA-N 1 1 394.479 2.240 20 0 GEADMO COc1c(C)cc(C[N@@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000737023927 598257765 /nfs/dbraw/zinc/25/77/65/598257765.db2.gz QHHJTOBTKLDDME-UHFFFAOYSA-N 1 1 394.479 2.240 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H]1OCCc2ccccc21 ZINC000736793160 598258132 /nfs/dbraw/zinc/25/81/32/598258132.db2.gz SVMXFZKMWYMCEN-IBGZPJMESA-N 1 1 392.463 2.441 20 0 GEADMO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000736267147 598317429 /nfs/dbraw/zinc/31/74/29/598317429.db2.gz MBLZQGDKYZJSRQ-STQMWFEESA-N 1 1 375.452 2.068 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736509735 598326050 /nfs/dbraw/zinc/32/60/50/598326050.db2.gz KPJAOWXDJCDIBU-UHFFFAOYSA-N 1 1 397.458 2.457 20 0 GEADMO CC1CCC([N@@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736241459 598334549 /nfs/dbraw/zinc/33/45/49/598334549.db2.gz OASRNBGHKXJSEX-UHFFFAOYSA-N 1 1 397.483 2.099 20 0 GEADMO CC(C)n1ccnc1C[N@@H+]1CCCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000735966546 598335568 /nfs/dbraw/zinc/33/55/68/598335568.db2.gz TUKRTUQTOUQPJZ-UHFFFAOYSA-N 1 1 384.463 2.496 20 0 GEADMO CC(C)n1ccnc1C[N@H+]1CCCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000735966546 598335569 /nfs/dbraw/zinc/33/55/69/598335569.db2.gz TUKRTUQTOUQPJZ-UHFFFAOYSA-N 1 1 384.463 2.496 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736859742 598346964 /nfs/dbraw/zinc/34/69/64/598346964.db2.gz IPNYGZAOZHYTNQ-IRXDYDNUSA-N 1 1 386.525 2.185 20 0 GEADMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000737502565 598347968 /nfs/dbraw/zinc/34/79/68/598347968.db2.gz OYQNQVVHJUNKTG-UKRRQHHQSA-N 1 1 381.440 2.003 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444686 598355353 /nfs/dbraw/zinc/35/53/53/598355353.db2.gz OJUBZGZLKWCLKU-RHSMWYFYSA-N 1 1 380.456 2.036 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444686 598355355 /nfs/dbraw/zinc/35/53/55/598355355.db2.gz OJUBZGZLKWCLKU-RHSMWYFYSA-N 1 1 380.456 2.036 20 0 GEADMO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736286819 598365694 /nfs/dbraw/zinc/36/56/94/598365694.db2.gz NTQRHXJPGMKHTM-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736286819 598365696 /nfs/dbraw/zinc/36/56/96/598365696.db2.gz NTQRHXJPGMKHTM-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736286819 598365699 /nfs/dbraw/zinc/36/56/99/598365699.db2.gz NTQRHXJPGMKHTM-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO CCOCC[N@H+]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@H]1CC ZINC000736623677 598366366 /nfs/dbraw/zinc/36/63/66/598366366.db2.gz LDZSROVBTJXJRB-QGZVFWFLSA-N 1 1 383.500 2.052 20 0 GEADMO CCOCCN1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@H]1CC ZINC000736623677 598366367 /nfs/dbraw/zinc/36/63/67/598366367.db2.gz LDZSROVBTJXJRB-QGZVFWFLSA-N 1 1 383.500 2.052 20 0 GEADMO CCOCCN1CC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@H]1CC ZINC000736623677 598366369 /nfs/dbraw/zinc/36/63/69/598366369.db2.gz LDZSROVBTJXJRB-QGZVFWFLSA-N 1 1 383.500 2.052 20 0 GEADMO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736828682 598366668 /nfs/dbraw/zinc/36/66/68/598366668.db2.gz QLXKYWFTNWYXPF-MRXNPFEDSA-N 1 1 394.483 2.224 20 0 GEADMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737511456 598368413 /nfs/dbraw/zinc/36/84/13/598368413.db2.gz RWXNQGCGZYTDKA-KRWDZBQOSA-N 1 1 394.483 2.383 20 0 GEADMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000735558332 598373893 /nfs/dbraw/zinc/37/38/93/598373893.db2.gz AAWOSPLONOEPDT-RDTXWAMCSA-N 1 1 377.452 2.380 20 0 GEADMO c1cn2cc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)nc2s1 ZINC000738436494 598396528 /nfs/dbraw/zinc/39/65/28/598396528.db2.gz RTHZVBKDSKKHSA-UHFFFAOYSA-N 1 1 380.481 2.288 20 0 GEADMO c1cn2cc(C[N@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)nc2s1 ZINC000738436494 598396530 /nfs/dbraw/zinc/39/65/30/598396530.db2.gz RTHZVBKDSKKHSA-UHFFFAOYSA-N 1 1 380.481 2.288 20 0 GEADMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736141864 598404222 /nfs/dbraw/zinc/40/42/22/598404222.db2.gz KIWSITPHSRPXSF-ABAIWWIYSA-N 1 1 378.864 2.084 20 0 GEADMO CC1(C)C[N@H+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)cc3)CCCCC2)CCO1 ZINC000736213141 598534440 /nfs/dbraw/zinc/53/44/40/598534440.db2.gz INDOUIJQHCVTOI-UHFFFAOYSA-N 1 1 398.511 2.410 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859346 598555843 /nfs/dbraw/zinc/55/58/43/598555843.db2.gz FYBIFOVEOYKVEI-SFHVURJKSA-N 1 1 378.436 2.478 20 0 GEADMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737503059 598591176 /nfs/dbraw/zinc/59/11/76/598591176.db2.gz RDPMJGVGDBMSBB-KRWDZBQOSA-N 1 1 397.508 2.469 20 0 GEADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735882485 598595954 /nfs/dbraw/zinc/59/59/54/598595954.db2.gz RMSIZLRICPBUJG-APWZRJJASA-N 1 1 397.527 2.072 20 0 GEADMO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000738393169 598621028 /nfs/dbraw/zinc/62/10/28/598621028.db2.gz FZMYAQZVVLXJQR-UHFFFAOYSA-N 1 1 389.463 2.106 20 0 GEADMO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000738393169 598621029 /nfs/dbraw/zinc/62/10/29/598621029.db2.gz FZMYAQZVVLXJQR-UHFFFAOYSA-N 1 1 389.463 2.106 20 0 GEADMO C[C@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000735514337 598623999 /nfs/dbraw/zinc/62/39/99/598623999.db2.gz OMELBAUBNADPHK-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO C[C@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[N@H+]1CCc2ccccc2C1 ZINC000735514337 598624001 /nfs/dbraw/zinc/62/40/01/598624001.db2.gz OMELBAUBNADPHK-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@@H](C)O1 ZINC000736286093 598659479 /nfs/dbraw/zinc/65/94/79/598659479.db2.gz LWQKPASLFVVUKJ-ZIAGYGMSSA-N 1 1 393.451 2.123 20 0 GEADMO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1c[nH+]ccc1-n1cccn1 ZINC000737933714 598665536 /nfs/dbraw/zinc/66/55/36/598665536.db2.gz ZRTWMZNWBWBJCZ-UHFFFAOYSA-N 1 1 392.448 2.319 20 0 GEADMO C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1 ZINC000736184735 598666346 /nfs/dbraw/zinc/66/63/46/598666346.db2.gz MXUGWIXVXSOPTA-HOTGVXAUSA-N 1 1 394.479 2.271 20 0 GEADMO Cc1nnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737519797 598674759 /nfs/dbraw/zinc/67/47/59/598674759.db2.gz DNKBKAIKZANSHK-QGZVFWFLSA-N 1 1 378.484 2.250 20 0 GEADMO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)Cc1ccccc1N1CCOCC1 ZINC000736820344 598678628 /nfs/dbraw/zinc/67/86/28/598678628.db2.gz VZQRWEGEAKHYQQ-UHFFFAOYSA-N 1 1 382.443 2.474 20 0 GEADMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738274370 598681507 /nfs/dbraw/zinc/68/15/07/598681507.db2.gz SFYOUNMBQWGUNN-UHFFFAOYSA-N 1 1 398.417 2.493 20 0 GEADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738274370 598681508 /nfs/dbraw/zinc/68/15/08/598681508.db2.gz SFYOUNMBQWGUNN-UHFFFAOYSA-N 1 1 398.417 2.493 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736568460 598694041 /nfs/dbraw/zinc/69/40/41/598694041.db2.gz CDFYLURMNRXXMP-KRWDZBQOSA-N 1 1 386.500 2.406 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403060 598710605 /nfs/dbraw/zinc/71/06/05/598710605.db2.gz RLGORUAGNVGGHS-AWEZNQCLSA-N 1 1 392.529 2.046 20 0 GEADMO O=C1[C@H]([NH+]2CCC(c3nccs3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292363 598761527 /nfs/dbraw/zinc/76/15/27/598761527.db2.gz ZPKOEFMYRYMRCT-MRXNPFEDSA-N 1 1 395.492 2.308 20 0 GEADMO CC(C)(C)CCNC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735602350 598764869 /nfs/dbraw/zinc/76/48/69/598764869.db2.gz MSVPLWIYPWXMQL-UHFFFAOYSA-N 1 1 386.500 2.262 20 0 GEADMO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736804547 598775340 /nfs/dbraw/zinc/77/53/40/598775340.db2.gz PHDBPWXBCKUJKN-QGZVFWFLSA-N 1 1 396.426 2.122 20 0 GEADMO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736804547 598775342 /nfs/dbraw/zinc/77/53/42/598775342.db2.gz PHDBPWXBCKUJKN-QGZVFWFLSA-N 1 1 396.426 2.122 20 0 GEADMO Cc1nnc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(-c2nn[nH]n2)c1C ZINC000737533652 598798177 /nfs/dbraw/zinc/79/81/77/598798177.db2.gz PPVRYPRIKCOZCM-CQSZACIVSA-N 1 1 380.456 2.410 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736238216 598810252 /nfs/dbraw/zinc/81/02/52/598810252.db2.gz UCGUTPLARROBAX-MJBXVCDLSA-N 1 1 389.529 2.204 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568949 598821354 /nfs/dbraw/zinc/82/13/54/598821354.db2.gz FFCAKKDMYVJENA-GOSISDBHSA-N 1 1 384.484 2.111 20 0 GEADMO O=C(CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964909 599306757 /nfs/dbraw/zinc/30/67/57/599306757.db2.gz SREONIUTFMHXKP-SFHVURJKSA-N 1 1 396.451 2.470 20 0 GEADMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000736196529 599308671 /nfs/dbraw/zinc/30/86/71/599308671.db2.gz JCIUXAVDGAUZID-INIZCTEOSA-N 1 1 391.479 2.184 20 0 GEADMO Cc1nc(CN2CCC[C@H]([N@H+](C)[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 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FZLQXDNZUBNKFN-YPMHNXCESA-N 1 1 378.864 2.348 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000820529840 599692217 /nfs/dbraw/zinc/69/22/17/599692217.db2.gz RVOJFVHGRXOKNC-OAHLLOKOSA-N 1 1 384.484 2.111 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000821762644 599692864 /nfs/dbraw/zinc/69/28/64/599692864.db2.gz OCEFIKBDQNINOU-CABCVRRESA-N 1 1 385.472 2.354 20 0 GEADMO Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)c1 ZINC000738797802 600096806 /nfs/dbraw/zinc/09/68/06/600096806.db2.gz JCDYTLPEQOOCMU-PACYTGELSA-N 1 1 390.509 2.015 20 0 GEADMO Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)c1 ZINC000738797802 600096810 /nfs/dbraw/zinc/09/68/10/600096810.db2.gz JCDYTLPEQOOCMU-PACYTGELSA-N 1 1 390.509 2.015 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000737516403 600409213 /nfs/dbraw/zinc/40/92/13/600409213.db2.gz YDBFJZZFCWLCNA-LJQANCHMSA-N 1 1 393.915 2.342 20 0 GEADMO CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736474330 600441267 /nfs/dbraw/zinc/44/12/67/600441267.db2.gz KLFJAOQOZAQXMA-UHFFFAOYSA-N 1 1 397.466 2.231 20 0 GEADMO CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736474330 600441269 /nfs/dbraw/zinc/44/12/69/600441269.db2.gz KLFJAOQOZAQXMA-UHFFFAOYSA-N 1 1 397.466 2.231 20 0 GEADMO C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000824936379 607449693 /nfs/dbraw/zinc/44/96/93/607449693.db2.gz GUPQVAMBODKVJM-LSDHHAIUSA-N 1 1 383.500 2.275 20 0 GEADMO Cc1ccc(NCCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)[nH+]c1 ZINC000826291401 607452370 /nfs/dbraw/zinc/45/23/70/607452370.db2.gz DLCWAZPDTWFFED-UHFFFAOYSA-N 1 1 392.467 2.361 20 0 GEADMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824377960 607472455 /nfs/dbraw/zinc/47/24/55/607472455.db2.gz UOEIJSHTEBOHMQ-SCLBCKFNSA-N 1 1 378.436 2.129 20 0 GEADMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824377960 607472457 /nfs/dbraw/zinc/47/24/57/607472457.db2.gz UOEIJSHTEBOHMQ-SCLBCKFNSA-N 1 1 378.436 2.129 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824771180 607470238 /nfs/dbraw/zinc/47/02/38/607470238.db2.gz QFSCAKSRXGIYOC-MRXNPFEDSA-N 1 1 392.463 2.151 20 0 GEADMO Fc1cc(-c2nn[nH]n2)ccc1CNCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000822740458 607472085 /nfs/dbraw/zinc/47/20/85/607472085.db2.gz KTBUATFQYIDFSJ-UHFFFAOYSA-N 1 1 395.486 2.308 20 0 GEADMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377640 607472556 /nfs/dbraw/zinc/47/25/56/607472556.db2.gz JQOSABJZUBGVJN-ABAIWWIYSA-N 1 1 384.465 2.191 20 0 GEADMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377640 607472558 /nfs/dbraw/zinc/47/25/58/607472558.db2.gz JQOSABJZUBGVJN-ABAIWWIYSA-N 1 1 384.465 2.191 20 0 GEADMO O=C([O-])C1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000833191515 600890585 /nfs/dbraw/zinc/89/05/85/600890585.db2.gz HTPIJLGUPIDXDD-HXUWFJFHSA-N 1 1 387.524 2.344 20 0 GEADMO CS[C@@H]1CCCC[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000826227331 607475645 /nfs/dbraw/zinc/47/56/45/607475645.db2.gz PHWSUQRMGGQZSB-DGCLKSJQSA-N 1 1 378.527 2.251 20 0 GEADMO COc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1-c1nn[nH]n1 ZINC000826193789 607480389 /nfs/dbraw/zinc/48/03/89/607480389.db2.gz PDDFKXFKEJHANY-UHFFFAOYSA-N 1 1 378.436 2.139 20 0 GEADMO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCCC1 ZINC000822912268 607478487 /nfs/dbraw/zinc/47/84/87/607478487.db2.gz ULHWHOOOAXCLDF-IBGZPJMESA-N 1 1 394.454 2.329 20 0 GEADMO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000827357367 601088459 /nfs/dbraw/zinc/08/84/59/601088459.db2.gz XBPVOQZKHZLYCW-SJLPKXTDSA-N 1 1 391.487 2.045 20 0 GEADMO CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000830923462 601208036 /nfs/dbraw/zinc/20/80/36/601208036.db2.gz KAJUHFSQYZCWAK-UHFFFAOYSA-N 1 1 388.512 2.048 20 0 GEADMO COc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1-c1nn[nH]n1 ZINC000826195218 607497901 /nfs/dbraw/zinc/49/79/01/607497901.db2.gz LTWSXVOUQOUBSK-UHFFFAOYSA-N 1 1 391.435 2.339 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823232974 607499755 /nfs/dbraw/zinc/49/97/55/607499755.db2.gz CEMDTFZJPARYCK-KBXCAEBGSA-N 1 1 399.474 2.164 20 0 GEADMO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823332140 607508736 /nfs/dbraw/zinc/50/87/36/607508736.db2.gz KGRFFUIGUIYPNP-SJCJKPOMSA-N 1 1 385.447 2.486 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948279 607509925 /nfs/dbraw/zinc/50/99/25/607509925.db2.gz SSOLCDHASGWQLF-CJNGLKHVSA-N 1 1 387.488 2.387 20 0 GEADMO CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000828796456 601633345 /nfs/dbraw/zinc/63/33/45/601633345.db2.gz HOFWRKWPVLFVSY-UHFFFAOYSA-N 1 1 375.513 2.262 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410395 607527697 /nfs/dbraw/zinc/52/76/97/607527697.db2.gz LQNKFEBABXXZDC-STQMWFEESA-N 1 1 390.875 2.207 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000826512809 607528126 /nfs/dbraw/zinc/52/81/26/607528126.db2.gz OOKBCIDGOUOAMM-HZPDHXFCSA-N 1 1 381.440 2.165 20 0 GEADMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826349596 607529346 /nfs/dbraw/zinc/52/93/46/607529346.db2.gz NPBRGTSCSICABL-KGLIPLIRSA-N 1 1 390.513 2.232 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829764976 602379925 /nfs/dbraw/zinc/37/99/25/602379925.db2.gz DGBZLYWDIVTUFO-HNNXBMFYSA-N 1 1 380.464 2.404 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000826341190 607601359 /nfs/dbraw/zinc/60/13/59/607601359.db2.gz ZOTPSPJFWJSSKZ-UHFFFAOYSA-N 1 1 394.439 2.226 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220418 607627287 /nfs/dbraw/zinc/62/72/87/607627287.db2.gz TVEJLLOBUBCITG-HZPDHXFCSA-N 1 1 399.499 2.034 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000444171755 649938401 /nfs/dbraw/zinc/93/84/01/649938401.db2.gz WHQAOLBKDAIGHJ-UHFFFAOYSA-N 1 1 379.320 2.466 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc(OC)c1)C(C)C ZINC000444163884 649938773 /nfs/dbraw/zinc/93/87/73/649938773.db2.gz DAINSZUVSGCAIB-UHFFFAOYSA-N 1 1 379.320 2.466 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000444173984 649938915 /nfs/dbraw/zinc/93/89/15/649938915.db2.gz FMMHFEFZEXSPML-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000444173984 649938918 /nfs/dbraw/zinc/93/89/18/649938918.db2.gz FMMHFEFZEXSPML-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO CCC(CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)[NH+]1CCOCC1 ZINC000825096674 607661199 /nfs/dbraw/zinc/66/11/99/607661199.db2.gz PNWZNFLBBDGIOJ-SFHVURJKSA-N 1 1 386.500 2.042 20 0 GEADMO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000826247905 607661908 /nfs/dbraw/zinc/66/19/08/607661908.db2.gz QMHJSKUPJRAHOQ-CYBMUJFWSA-N 1 1 382.493 2.413 20 0 GEADMO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000826247905 607661909 /nfs/dbraw/zinc/66/19/09/607661909.db2.gz QMHJSKUPJRAHOQ-CYBMUJFWSA-N 1 1 382.493 2.413 20 0 GEADMO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000826247514 607662124 /nfs/dbraw/zinc/66/21/24/607662124.db2.gz GGMHKLGCHLNPAJ-OAHLLOKOSA-N 1 1 376.464 2.352 20 0 GEADMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)s1 ZINC000826323486 607688772 /nfs/dbraw/zinc/68/87/72/607688772.db2.gz GKVVATQXBYNUFY-UHFFFAOYSA-N 1 1 397.508 2.288 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000444919680 649954824 /nfs/dbraw/zinc/95/48/24/649954824.db2.gz JOYYFKWTLIXBNP-UHFFFAOYSA-N 1 1 390.245 2.356 20 0 GEADMO CC[N@@H+](C)CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444971365 649955272 /nfs/dbraw/zinc/95/52/72/649955272.db2.gz CGHNCSSBVZAGLP-UHFFFAOYSA-N 1 1 380.290 2.386 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000824884477 607741325 /nfs/dbraw/zinc/74/13/25/607741325.db2.gz OBBOHHKQOOVFCM-HOCLYGCPSA-N 1 1 379.468 2.320 20 0 GEADMO CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)O1 ZINC000833576175 605349501 /nfs/dbraw/zinc/34/95/01/605349501.db2.gz HKYFTERTSNCZKU-LJQANCHMSA-N 1 1 379.545 2.262 20 0 GEADMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824699443 607756721 /nfs/dbraw/zinc/75/67/21/607756721.db2.gz SWFCGNMSBVIHJH-AAEUAGOBSA-N 1 1 378.864 2.084 20 0 GEADMO C[C@H](C[C@H]1CCCCCN1C(=O)[O-])[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000824760974 605499576 /nfs/dbraw/zinc/49/95/76/605499576.db2.gz ZUDFVXYEKATTMA-SJLPKXTDSA-N 1 1 382.549 2.220 20 0 GEADMO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000824766952 605505763 /nfs/dbraw/zinc/50/57/63/605505763.db2.gz FOSGTNNEYYWKDS-RSPOEFSDSA-N 1 1 375.513 2.380 20 0 GEADMO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000824766952 605505771 /nfs/dbraw/zinc/50/57/71/605505771.db2.gz FOSGTNNEYYWKDS-RSPOEFSDSA-N 1 1 375.513 2.380 20 0 GEADMO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000824766949 605506060 /nfs/dbraw/zinc/50/60/60/605506060.db2.gz FOSGTNNEYYWKDS-LMCOJAPRSA-N 1 1 375.513 2.380 20 0 GEADMO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000824766949 605506067 /nfs/dbraw/zinc/50/60/67/605506067.db2.gz FOSGTNNEYYWKDS-LMCOJAPRSA-N 1 1 375.513 2.380 20 0 GEADMO O=C(Cc1cc[nH]c(=O)c1Br)NCC[N@H+]1CCc2ccccc2C1 ZINC000445254271 649960242 /nfs/dbraw/zinc/96/02/42/649960242.db2.gz PDGLMBRZEXKDAO-UHFFFAOYSA-N 1 1 390.281 2.267 20 0 GEADMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820044544 606081586 /nfs/dbraw/zinc/08/15/86/606081586.db2.gz HCDUCFMGWQHTAS-INIZCTEOSA-N 1 1 391.907 2.121 20 0 GEADMO CC(C)[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820044544 606081589 /nfs/dbraw/zinc/08/15/89/606081589.db2.gz HCDUCFMGWQHTAS-INIZCTEOSA-N 1 1 391.907 2.121 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820044544 606081592 /nfs/dbraw/zinc/08/15/92/606081592.db2.gz HCDUCFMGWQHTAS-INIZCTEOSA-N 1 1 391.907 2.121 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088057 606089178 /nfs/dbraw/zinc/08/91/78/606089178.db2.gz IZNHEYRDHNKMLG-ZFWWWQNUSA-N 1 1 389.504 2.067 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821252826 606113568 /nfs/dbraw/zinc/11/35/68/606113568.db2.gz CKALFXBCCJGNND-BXUZGUMPSA-N 1 1 391.545 2.288 20 0 GEADMO C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1cc2ccccc2o1 ZINC000821592647 606114098 /nfs/dbraw/zinc/11/40/98/606114098.db2.gz OHWFBQQTXSFPEF-UHFFFAOYSA-N 1 1 376.420 2.361 20 0 GEADMO C[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1cc2ccccc2o1 ZINC000821592647 606114099 /nfs/dbraw/zinc/11/40/99/606114099.db2.gz OHWFBQQTXSFPEF-UHFFFAOYSA-N 1 1 376.420 2.361 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000821252690 606123665 /nfs/dbraw/zinc/12/36/65/606123665.db2.gz BBFWGSDUXYKYJA-MAUKXSAKSA-N 1 1 386.500 2.213 20 0 GEADMO O=S(=O)(CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561605 606190165 /nfs/dbraw/zinc/19/01/65/606190165.db2.gz GFPOVZVHQKFARP-IBGZPJMESA-N 1 1 387.509 2.463 20 0 GEADMO O=S(=O)(CC[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561605 606190166 /nfs/dbraw/zinc/19/01/66/606190166.db2.gz GFPOVZVHQKFARP-IBGZPJMESA-N 1 1 387.509 2.463 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000821001346 606275136 /nfs/dbraw/zinc/27/51/36/606275136.db2.gz QMUMLIPKIVGSKT-HZPDHXFCSA-N 1 1 386.525 2.434 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000820655806 606278613 /nfs/dbraw/zinc/27/86/13/606278613.db2.gz CHUCDMWCVSIIIA-YOEHRIQHSA-N 1 1 379.468 2.320 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000822655578 606282295 /nfs/dbraw/zinc/28/22/95/606282295.db2.gz NVDMAGKVFOYWQV-UHFFFAOYSA-N 1 1 386.485 2.290 20 0 GEADMO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821153923 606316634 /nfs/dbraw/zinc/31/66/34/606316634.db2.gz HISAVGBWZPAHGG-YOEHRIQHSA-N 1 1 379.468 2.492 20 0 GEADMO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000821651884 606329030 /nfs/dbraw/zinc/32/90/30/606329030.db2.gz ICHFTUCWPCEBQL-SFHVURJKSA-N 1 1 384.484 2.031 20 0 GEADMO CC(C)[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CCS1 ZINC000820045550 606329531 /nfs/dbraw/zinc/32/95/31/606329531.db2.gz NFTQRASJUTYTGH-CHWSQXEVSA-N 1 1 378.527 2.107 20 0 GEADMO CC(C)[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CCS1 ZINC000820045550 606329532 /nfs/dbraw/zinc/32/95/32/606329532.db2.gz NFTQRASJUTYTGH-CHWSQXEVSA-N 1 1 378.527 2.107 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821253544 606335555 /nfs/dbraw/zinc/33/55/55/606335555.db2.gz GWVDFUITPSTBMV-KGLIPLIRSA-N 1 1 389.891 2.017 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821253613 606336022 /nfs/dbraw/zinc/33/60/22/606336022.db2.gz HYRXOOJEJUOCLK-KGLIPLIRSA-N 1 1 389.891 2.017 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000821000910 606343820 /nfs/dbraw/zinc/34/38/20/606343820.db2.gz LRCZUCIZDCCUCB-GJZGRUSLSA-N 1 1 385.472 2.356 20 0 GEADMO COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897873 649965937 /nfs/dbraw/zinc/96/59/37/649965937.db2.gz OYTRZZOSVSAVNF-CQSZACIVSA-N 1 1 399.285 2.226 20 0 GEADMO O=C(CC[N@@H+]1CCOC[C@@H]1Cc1ccccc1)Nc1sccc1-c1nn[nH]n1 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LAACWUGRFPAXLW-CYBMUJFWSA-N 1 1 381.383 2.243 20 0 GEADMO OCC[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823722680 606484569 /nfs/dbraw/zinc/48/45/69/606484569.db2.gz XCINOUVOJVDKKZ-UHFFFAOYSA-N 1 1 375.379 2.463 20 0 GEADMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823722680 606484571 /nfs/dbraw/zinc/48/45/71/606484571.db2.gz XCINOUVOJVDKKZ-UHFFFAOYSA-N 1 1 375.379 2.463 20 0 GEADMO C[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2sccc2C1 ZINC000820262316 606506612 /nfs/dbraw/zinc/50/66/12/606506612.db2.gz VOXLKYJZZMHHJZ-ZDUSSCGKSA-N 1 1 382.493 2.034 20 0 GEADMO C[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@H+]1CCc2sccc2C1 ZINC000820262316 606506614 /nfs/dbraw/zinc/50/66/14/606506614.db2.gz VOXLKYJZZMHHJZ-ZDUSSCGKSA-N 1 1 382.493 2.034 20 0 GEADMO CC[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@H+]1CCc2ccccc2C1 ZINC000820901908 606508295 /nfs/dbraw/zinc/50/82/95/606508295.db2.gz GDLOVXUUEHBXIP-HXUWFJFHSA-N 1 1 390.491 2.362 20 0 GEADMO 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C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824858601 608202016 /nfs/dbraw/zinc/20/20/16/608202016.db2.gz KTOZOVJZQUTGSA-UONOGXRCSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824858601 608202017 /nfs/dbraw/zinc/20/20/17/608202017.db2.gz KTOZOVJZQUTGSA-UONOGXRCSA-N 1 1 396.451 2.203 20 0 GEADMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000825319089 608236109 /nfs/dbraw/zinc/23/61/09/608236109.db2.gz XQVAJARCNKYUFS-IBGZPJMESA-N 1 1 391.479 2.447 20 0 GEADMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000825319089 608236111 /nfs/dbraw/zinc/23/61/11/608236111.db2.gz XQVAJARCNKYUFS-IBGZPJMESA-N 1 1 391.479 2.447 20 0 GEADMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000825192825 608264060 /nfs/dbraw/zinc/26/40/60/608264060.db2.gz JFGUIRPGHDCKSA-KBPBESRZSA-N 1 1 380.456 2.254 20 0 GEADMO 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RFCCQNHEOWXSBQ-UHFFFAOYSA-N 1 1 390.347 2.317 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ncnc2cc(F)c(Br)cc21 ZINC000545167760 650450323 /nfs/dbraw/zinc/45/03/23/650450323.db2.gz LPHZETXZICBYMI-AWEZNQCLSA-N 1 1 396.264 2.283 20 0 GEADMO CO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000507051576 650454210 /nfs/dbraw/zinc/45/42/10/650454210.db2.gz LWOQYJLQCWWIKE-OKILXGFUSA-N 1 1 398.301 2.085 20 0 GEADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccncc2Br)C[C@H](C)O1 ZINC000507180712 650455300 /nfs/dbraw/zinc/45/53/00/650455300.db2.gz PXESFCYHOKCEEY-RYUDHWBXSA-N 1 1 385.306 2.275 20 0 GEADMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000462047535 650465104 /nfs/dbraw/zinc/46/51/04/650465104.db2.gz OXZKHQBDBFBIMZ-WFASDCNBSA-N 1 1 382.302 2.009 20 0 GEADMO C[C@H]1[C@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@H+]1C ZINC000462060255 650465245 /nfs/dbraw/zinc/46/52/45/650465245.db2.gz QBQABONXSFXPHV-SWLSCSKDSA-N 1 1 375.332 2.394 20 0 GEADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)s1 ZINC000462101946 650468202 /nfs/dbraw/zinc/46/82/02/650468202.db2.gz ASWXWQMQPNXNNL-LLVKDONJSA-N 1 1 386.461 2.282 20 0 GEADMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462113846 650469762 /nfs/dbraw/zinc/46/97/62/650469762.db2.gz YBIOTNHYJCOWCF-AWEZNQCLSA-N 1 1 375.332 2.347 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462148755 650471055 /nfs/dbraw/zinc/47/10/55/650471055.db2.gz FPECTCVOWCMDJE-ZDUSSCGKSA-N 1 1 376.320 2.387 20 0 GEADMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000462479718 650481707 /nfs/dbraw/zinc/48/17/07/650481707.db2.gz YQJJWEHRHOJLBG-AWEZNQCLSA-N 1 1 384.299 2.425 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@H+]1C ZINC000462501641 650481976 /nfs/dbraw/zinc/48/19/76/650481976.db2.gz LAAJEJUQECYVOL-BDAKNGLRSA-N 1 1 383.258 2.488 20 0 GEADMO C[C@@H]1C[N@@H+](CCCNC(=O)CCOCC(F)(F)C(F)(F)F)CCCO1 ZINC000508559170 650482344 /nfs/dbraw/zinc/48/23/44/650482344.db2.gz VQKHCSODLWPMFT-GFCCVEGCSA-N 1 1 376.366 2.208 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000462537201 650483225 /nfs/dbraw/zinc/48/32/25/650483225.db2.gz NTFSAVRWTIVUKR-CYBMUJFWSA-N 1 1 386.495 2.489 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000508944604 650484641 /nfs/dbraw/zinc/48/46/41/650484641.db2.gz YVSUQDJGEGUQNW-ZDUSSCGKSA-N 1 1 398.301 2.387 20 0 GEADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)CC1 ZINC000508964801 650485053 /nfs/dbraw/zinc/48/50/53/650485053.db2.gz DSNQGNDEDMTKOY-UHFFFAOYSA-N 1 1 394.317 2.403 20 0 GEADMO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462810980 650490601 /nfs/dbraw/zinc/49/06/01/650490601.db2.gz DUHGFZLVGIIHSL-GFCCVEGCSA-N 1 1 386.518 2.432 20 0 GEADMO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Br)cc1OCCCO ZINC000463362674 650494196 /nfs/dbraw/zinc/49/41/96/650494196.db2.gz SMMFYNUPKPNWDM-GFCCVEGCSA-N 1 1 385.302 2.387 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509630136 650497706 /nfs/dbraw/zinc/49/77/06/650497706.db2.gz AIQCVPLHBSVTIB-XJKCOSOUSA-N 1 1 394.313 2.353 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509630134 650497759 /nfs/dbraw/zinc/49/77/59/650497759.db2.gz AIQCVPLHBSVTIB-IOASZLSFSA-N 1 1 394.313 2.353 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2cccnc2)cc1Br ZINC000467036385 650501151 /nfs/dbraw/zinc/50/11/51/650501151.db2.gz RPCLRAJDECGZDQ-UHFFFAOYSA-N 1 1 391.269 2.274 20 0 GEADMO Cc1noc(COCC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n1 ZINC000467032097 650501261 /nfs/dbraw/zinc/50/12/61/650501261.db2.gz GVINFGIDEQRJNG-UHFFFAOYSA-N 1 1 383.246 2.357 20 0 GEADMO Cn1nnc2cc(C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)cnc21 ZINC000468182267 650504657 /nfs/dbraw/zinc/50/46/57/650504657.db2.gz HJFKCZRKJHBHAR-UHFFFAOYSA-N 1 1 389.257 2.440 20 0 GEADMO COc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1Br ZINC000510216229 650508618 /nfs/dbraw/zinc/50/86/18/650508618.db2.gz VVZPZGXQDYUVBM-UHFFFAOYSA-N 1 1 391.331 2.219 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[S@@](=O)C1)c1cccc(C(F)(F)F)c1 ZINC000470290305 650512511 /nfs/dbraw/zinc/51/25/11/650512511.db2.gz VSSVEOINAGHHQO-FPIQFJIESA-N 1 1 377.432 2.128 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000472056393 650519430 /nfs/dbraw/zinc/51/94/30/650519430.db2.gz VAOJBOHGPLATDX-CYBMUJFWSA-N 1 1 383.286 2.087 20 0 GEADMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000511092520 650525710 /nfs/dbraw/zinc/52/57/10/650525710.db2.gz AMAAYOSALCRSFO-AWEZNQCLSA-N 1 1 380.432 2.484 20 0 GEADMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000511092520 650525713 /nfs/dbraw/zinc/52/57/13/650525713.db2.gz AMAAYOSALCRSFO-AWEZNQCLSA-N 1 1 380.432 2.484 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000473976629 650526458 /nfs/dbraw/zinc/52/64/58/650526458.db2.gz MJEZMELQYPJIKS-CQSZACIVSA-N 1 1 376.284 2.048 20 0 GEADMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000511109518 650526589 /nfs/dbraw/zinc/52/65/89/650526589.db2.gz UXNITWTYHNEPNO-CQSZACIVSA-N 1 1 380.432 2.341 20 0 GEADMO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474269933 650529212 /nfs/dbraw/zinc/52/92/12/650529212.db2.gz NMGAZILZWXRDLA-ZDUSSCGKSA-N 1 1 378.782 2.028 20 0 GEADMO CC[N@H+]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000511545026 650538440 /nfs/dbraw/zinc/53/84/40/650538440.db2.gz HYXFDMBTNNRLKS-HNNXBMFYSA-N 1 1 398.345 2.312 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)NCCc1ccc(Cl)cc1 ZINC000511625593 650539974 /nfs/dbraw/zinc/53/99/74/650539974.db2.gz JXDUOGGNTQGWDG-UKRRQHHQSA-N 1 1 378.822 2.491 20 0 GEADMO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)NCCc1ccc(Cl)cc1 ZINC000511625593 650539975 /nfs/dbraw/zinc/53/99/75/650539975.db2.gz JXDUOGGNTQGWDG-UKRRQHHQSA-N 1 1 378.822 2.491 20 0 GEADMO CN(C(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476129033 650544743 /nfs/dbraw/zinc/54/47/43/650544743.db2.gz BHUGIHJPDYFHHJ-OAHLLOKOSA-N 1 1 392.301 2.475 20 0 GEADMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ncc(I)s2)C1(C)C ZINC000511909315 650542286 /nfs/dbraw/zinc/54/22/86/650542286.db2.gz RSFZXETXDQEQBG-ZANVPECISA-N 1 1 396.294 2.403 20 0 GEADMO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C)c3cc(Br)ccc32)C[C@@H](C)O1 ZINC000512473344 650549429 /nfs/dbraw/zinc/54/94/29/650549429.db2.gz CKVJIXLRBDJSMK-FMKPAKJESA-N 1 1 398.345 2.175 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(C)c3cc(Br)ccc32)C[C@H](C)O1 ZINC000512473346 650549489 /nfs/dbraw/zinc/54/94/89/650549489.db2.gz CKVJIXLRBDJSMK-IJEWVQPXSA-N 1 1 398.345 2.175 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(C)c3cc(Br)ccc32)C[C@H](C)O1 ZINC000512473346 650549492 /nfs/dbraw/zinc/54/94/92/650549492.db2.gz CKVJIXLRBDJSMK-IJEWVQPXSA-N 1 1 398.345 2.175 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CCSC2)[C@@H]1c1cccs1 ZINC000512774666 650554140 /nfs/dbraw/zinc/55/41/40/650554140.db2.gz YYVCXHRPGWFLST-IIAWOOMASA-N 1 1 381.567 2.117 20 0 GEADMO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(O)ccc1Br ZINC000513012519 650556324 /nfs/dbraw/zinc/55/63/24/650556324.db2.gz QNRXHUUTLVPKSU-GFCCVEGCSA-N 1 1 377.304 2.058 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000476721357 650557927 /nfs/dbraw/zinc/55/79/27/650557927.db2.gz SFRZJBDWBWZUBD-ZDUSSCGKSA-N 1 1 385.917 2.227 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000476862138 650561327 /nfs/dbraw/zinc/56/13/27/650561327.db2.gz VBFPZHDILCTJKC-CHWSQXEVSA-N 1 1 387.293 2.434 20 0 GEADMO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000476862605 650561376 /nfs/dbraw/zinc/56/13/76/650561376.db2.gz VYXZKVQDFGWLCJ-PBHICJAKSA-N 1 1 383.323 2.078 20 0 GEADMO CO[C@H](C)C[N@@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000513329685 650561419 /nfs/dbraw/zinc/56/14/19/650561419.db2.gz PNXLTMILFHPCPC-GFCCVEGCSA-N 1 1 375.300 2.004 20 0 GEADMO COc1cccc(OC)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000513340135 650561751 /nfs/dbraw/zinc/56/17/51/650561751.db2.gz ZNAKRAIIRQRWGM-UHFFFAOYSA-N 1 1 384.885 2.425 20 0 GEADMO COc1ccnc(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)n1 ZINC000513434790 650562974 /nfs/dbraw/zinc/56/29/74/650562974.db2.gz LZVNNRRGFZLGFS-UHFFFAOYSA-N 1 1 393.285 2.449 20 0 GEADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000514858410 650581347 /nfs/dbraw/zinc/58/13/47/650581347.db2.gz XGIRDLWUYURKNP-GJZGRUSLSA-N 1 1 381.274 2.117 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000514900177 650582939 /nfs/dbraw/zinc/58/29/39/650582939.db2.gz POEDAQVNJJZXKM-FZMZJTMJSA-N 1 1 380.286 2.333 20 0 GEADMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000514937116 650583747 /nfs/dbraw/zinc/58/37/47/650583747.db2.gz GDCAWHAQFLJVSL-UHFFFAOYSA-N 1 1 379.766 2.341 20 0 GEADMO CC[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946185 650584271 /nfs/dbraw/zinc/58/42/71/650584271.db2.gz CLNMNMXJNDFZBI-OAHLLOKOSA-N 1 1 398.345 2.412 20 0 GEADMO CCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946185 650584274 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20 0 GEADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000416497177 648149412 /nfs/dbraw/zinc/14/94/12/648149412.db2.gz SEOXHBQBQAMGHW-QMMMGPOBSA-N 1 1 385.686 2.472 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416564612 648172998 /nfs/dbraw/zinc/17/29/98/648172998.db2.gz RQBAJLMDJWUXNI-LBPRGKRZSA-N 1 1 391.331 2.468 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)cc2Br)CC[N@@H+](C)C1 ZINC000416740527 648210820 /nfs/dbraw/zinc/21/08/20/648210820.db2.gz URKMDNLFFQTKQX-LBPRGKRZSA-N 1 1 384.274 2.326 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2cccc(Br)c2C)CC[N@@H+](C)C1 ZINC000416784920 648212837 /nfs/dbraw/zinc/21/28/37/648212837.db2.gz ALIXVSNIVRGXKY-GFCCVEGCSA-N 1 1 384.274 2.326 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000417294509 648237826 /nfs/dbraw/zinc/23/78/26/648237826.db2.gz IJPZUWMGQPNVQG-OAHLLOKOSA-N 1 1 376.245 2.474 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Br)c(F)cc2OC)C1 ZINC000417554497 648252003 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O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420958851 648459542 /nfs/dbraw/zinc/45/95/42/648459542.db2.gz DOXSIAMCJIHAJQ-CQSZACIVSA-N 1 1 380.286 2.398 20 0 GEADMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420976057 648460683 /nfs/dbraw/zinc/46/06/83/648460683.db2.gz QMRORORYAKKTKO-AWEZNQCLSA-N 1 1 383.286 2.135 20 0 GEADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420976057 648460688 /nfs/dbraw/zinc/46/06/88/648460688.db2.gz QMRORORYAKKTKO-AWEZNQCLSA-N 1 1 383.286 2.135 20 0 GEADMO CNC(=O)[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976470 648461171 /nfs/dbraw/zinc/46/11/71/648461171.db2.gz PEEXQFXFEJIHJC-XJKSGUPXSA-N 1 1 394.313 2.321 20 0 GEADMO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H]1CCC[N@@H+]1C ZINC000420994768 648461998 /nfs/dbraw/zinc/46/19/98/648461998.db2.gz CMXPEUXMXZVDEL-AWEZNQCLSA-N 1 1 375.332 2.249 20 0 GEADMO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H]1CCC[N@H+]1C ZINC000420994768 648462000 /nfs/dbraw/zinc/46/20/00/648462000.db2.gz 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Cn1ncc(I)c1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000895473190 653836975 /nfs/dbraw/zinc/83/69/75/653836975.db2.gz HMHGCHOWALOGDJ-UHFFFAOYSA-N 1 1 399.101 2.286 20 0 GEADMO COc1nccc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)n1 ZINC000883386589 653838377 /nfs/dbraw/zinc/83/83/77/653838377.db2.gz IXPTXUUSPURBEQ-AWEZNQCLSA-N 1 1 377.242 2.291 20 0 GEADMO O=C(Nc1nncs1)c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc1 ZINC000895567470 653840949 /nfs/dbraw/zinc/84/09/49/653840949.db2.gz PZGFKMVQYNVWGJ-QWHCGFSZSA-N 1 1 376.511 2.177 20 0 GEADMO Cn1nc(Br)c2c1ncnc2N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895571629 653841200 /nfs/dbraw/zinc/84/12/00/653841200.db2.gz KHDUBQHGYRFBCY-ZJUUUORDSA-N 1 1 383.319 2.118 20 0 GEADMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000895582007 653842133 /nfs/dbraw/zinc/84/21/33/653842133.db2.gz AXUTXPVCJVRYEX-SJCJKPOMSA-N 1 1 385.917 2.408 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866891718 653844725 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ZINC000896545761 653884345 /nfs/dbraw/zinc/88/43/45/653884345.db2.gz PYCZJWFQTNGOGX-CZUORRHYSA-N 1 1 380.330 2.231 20 0 GEADMO C[C@H](NC(=O)C1(c2ccccc2Br)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896545762 653884556 /nfs/dbraw/zinc/88/45/56/653884556.db2.gz PYCZJWFQTNGOGX-XJKSGUPXSA-N 1 1 380.330 2.231 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)s4)C3=O)C2)C1 ZINC000793769876 653884953 /nfs/dbraw/zinc/88/49/53/653884953.db2.gz VIKXWAJJGHQRLF-DLBZAZTESA-N 1 1 382.917 2.154 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000896553445 653884998 /nfs/dbraw/zinc/88/49/98/653884998.db2.gz ASJLSHVIGXGFKR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1Br ZINC000896553445 653885002 /nfs/dbraw/zinc/88/50/02/653885002.db2.gz ASJLSHVIGXGFKR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1Br ZINC000896553445 653885005 /nfs/dbraw/zinc/88/50/05/653885005.db2.gz ASJLSHVIGXGFKR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO COc1c(Br)c(C)sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896554393 653885113 /nfs/dbraw/zinc/88/51/13/653885113.db2.gz FZWCZEAXCFHEBL-KOLCDFICSA-N 1 1 390.347 2.192 20 0 GEADMO C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896552633 653885171 /nfs/dbraw/zinc/88/51/71/653885171.db2.gz MXPKQNYHLSSKDP-YMTOWFKASA-N 1 1 376.245 2.091 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1C[N@@H+](C)CCN1C ZINC000896556843 653885421 /nfs/dbraw/zinc/88/54/21/653885421.db2.gz QITFOXVILZVECE-YVEFUNNKSA-N 1 1 393.329 2.223 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896556843 653885425 /nfs/dbraw/zinc/88/54/25/653885425.db2.gz QITFOXVILZVECE-YVEFUNNKSA-N 1 1 393.329 2.223 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1CN(C)CC[N@H+]1C ZINC000896556843 653885426 /nfs/dbraw/zinc/88/54/26/653885426.db2.gz QITFOXVILZVECE-YVEFUNNKSA-N 1 1 393.329 2.223 20 0 GEADMO 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CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)C1(O)CCOCC1 ZINC000929179495 654674889 /nfs/dbraw/zinc/67/48/89/654674889.db2.gz ILPSHZHVDSASBX-AWEZNQCLSA-N 1 1 391.295 2.156 20 0 GEADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)C1(O)CCOCC1 ZINC000929179495 654674893 /nfs/dbraw/zinc/67/48/93/654674893.db2.gz ILPSHZHVDSASBX-AWEZNQCLSA-N 1 1 391.295 2.156 20 0 GEADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000909807160 654676516 /nfs/dbraw/zinc/67/65/16/654676516.db2.gz RPYMJTRGUKCFRH-UHFFFAOYSA-N 1 1 386.290 2.123 20 0 GEADMO COC(=O)c1cc(Br)c(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000929280492 654677996 /nfs/dbraw/zinc/67/79/96/654677996.db2.gz SAVVPJKZALBCLP-UHFFFAOYSA-N 1 1 399.285 2.332 20 0 GEADMO O[C@@H](C[N@H+](Cc1cc(Br)ccc1F)C1CC1)C1(O)CCOCC1 ZINC000929366748 654681444 /nfs/dbraw/zinc/68/14/44/654681444.db2.gz DRFXVWFXBUKPQJ-INIZCTEOSA-N 1 1 388.277 2.455 20 0 GEADMO O[C@@H](C[N@@H+](Cc1cc(Br)ccc1F)C1CC1)C1(O)CCOCC1 ZINC000929366748 654681448 /nfs/dbraw/zinc/68/14/48/654681448.db2.gz DRFXVWFXBUKPQJ-INIZCTEOSA-N 1 1 388.277 2.455 20 0 GEADMO CS(=O)(=O)N1CC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1 ZINC000929824457 654692722 /nfs/dbraw/zinc/69/27/22/654692722.db2.gz KMZWFQSEKSCDMQ-GOSISDBHSA-N 1 1 380.535 2.175 20 0 GEADMO COc1cc(Br)c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OC ZINC000929915082 654694715 /nfs/dbraw/zinc/69/47/15/654694715.db2.gz CCFDHUYHFCJMPH-PHIMTYICSA-N 1 1 384.274 2.492 20 0 GEADMO CC[N@H+]1CCCN(C(=O)c2csc(I)n2)[C@H](C)C1 ZINC000910272491 654694921 /nfs/dbraw/zinc/69/49/21/654694921.db2.gz XTSFVOMYBQFDBS-SECBINFHSA-N 1 1 379.267 2.304 20 0 GEADMO COC(=O)c1cc(Br)c(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1OC ZINC000930012320 654697570 /nfs/dbraw/zinc/69/75/70/654697570.db2.gz YKCGPRKQGWNQAZ-CYBMUJFWSA-N 1 1 387.274 2.234 20 0 GEADMO Cc1cc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cnc1Br ZINC000930073033 654698647 /nfs/dbraw/zinc/69/86/47/654698647.db2.gz WIRKUYOCLZJDED-OAHLLOKOSA-N 1 1 381.318 2.067 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000930203734 654701840 /nfs/dbraw/zinc/70/18/40/654701840.db2.gz DSICKWXIEMBABR-UHFFFAOYSA-N 1 1 395.345 2.479 20 0 GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(Br)nc2N)c1 ZINC000930213967 654702279 /nfs/dbraw/zinc/70/22/79/654702279.db2.gz QQLXGUYYMPZTQE-SNVBAGLBSA-N 1 1 399.314 2.185 20 0 GEADMO COc1cc(Br)cc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000930605863 654714845 /nfs/dbraw/zinc/71/48/45/654714845.db2.gz WBXLPRQVCRBSMQ-UHFFFAOYSA-N 1 1 385.306 2.169 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(=O)[nH]cc2Br)C[C@H](C)O1 ZINC000930677716 654716718 /nfs/dbraw/zinc/71/67/18/654716718.db2.gz SAHLFNPZGRZASH-FRRDWIJNSA-N 1 1 398.301 2.264 20 0 GEADMO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000930674232 654716741 /nfs/dbraw/zinc/71/67/41/654716741.db2.gz GRXBARNHFGMIPM-BXUZGUMPSA-N 1 1 378.270 2.228 20 0 GEADMO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1Br ZINC000930702032 654717473 /nfs/dbraw/zinc/71/74/73/654717473.db2.gz ICSFDICLZZLLMA-YGRLFVJLSA-N 1 1 382.258 2.404 20 0 GEADMO Cc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cnc1Br ZINC000930779936 654719566 /nfs/dbraw/zinc/71/95/66/654719566.db2.gz SEFKVWMSCJUQQP-UONOGXRCSA-N 1 1 383.290 2.215 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)[C@@H]2C1 ZINC000911302527 654721689 /nfs/dbraw/zinc/72/16/89/654721689.db2.gz ORTXKRWNQKGHDM-XHDPSFHLSA-N 1 1 380.286 2.112 20 0 GEADMO Cc1cnc(Br)cc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930931313 654723708 /nfs/dbraw/zinc/72/37/08/654723708.db2.gz UPKGDJDMVMFGFF-ZIAGYGMSSA-N 1 1 383.290 2.215 20 0 GEADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2nn(C(C)C)cc2Br)C[C@@H]1C ZINC000911534824 654725690 /nfs/dbraw/zinc/72/56/90/654725690.db2.gz UFRVBRASRSEYST-BETUJISGSA-N 1 1 387.322 2.408 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2nn(C(C)C)cc2Br)C[C@@H]1C ZINC000911534824 654725693 /nfs/dbraw/zinc/72/56/93/654725693.db2.gz UFRVBRASRSEYST-BETUJISGSA-N 1 1 387.322 2.408 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000931117735 654729916 /nfs/dbraw/zinc/72/99/16/654729916.db2.gz PNPNGFVXEHBIQE-LBPRGKRZSA-N 1 1 380.290 2.342 20 0 GEADMO C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305569 654737781 /nfs/dbraw/zinc/73/77/81/654737781.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 1 1 383.330 2.462 20 0 GEADMO CN1C[C@]2(C)C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737784 /nfs/dbraw/zinc/73/77/84/654737784.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 1 1 383.330 2.462 20 0 GEADMO CN1C[C@]2(C)C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737788 /nfs/dbraw/zinc/73/77/88/654737788.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 1 1 383.330 2.462 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931424543 654742094 /nfs/dbraw/zinc/74/20/94/654742094.db2.gz BACJMXVLVQJMPU-GOEBONIOSA-N 1 1 380.330 2.291 20 0 GEADMO C[N@@H+]1CC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435410 654742726 /nfs/dbraw/zinc/74/27/26/654742726.db2.gz AQIRSZPMCFETHP-KEYYUXOJSA-N 1 1 378.314 2.438 20 0 GEADMO C[N@H+]1CC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000931435410 654742727 /nfs/dbraw/zinc/74/27/27/654742727.db2.gz AQIRSZPMCFETHP-KEYYUXOJSA-N 1 1 378.314 2.438 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@H](c1nccs1)C(F)(F)F ZINC000931556583 654746588 /nfs/dbraw/zinc/74/65/88/654746588.db2.gz ABGGTZAWJKEHEN-NWDGAFQWSA-N 1 1 378.420 2.299 20 0 GEADMO COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCCOCC(F)(F)F ZINC000912231495 654747007 /nfs/dbraw/zinc/74/70/07/654747007.db2.gz PHRRFDNZNJDHFU-NSHDSACASA-N 1 1 385.180 2.153 20 0 GEADMO COC1(OC)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000931635462 654750046 /nfs/dbraw/zinc/75/00/46/654750046.db2.gz JITRZZWGYQCWJZ-NHYWBVRUSA-N 1 1 391.295 2.226 20 0 GEADMO COC1(OC)CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000931635462 654750048 /nfs/dbraw/zinc/75/00/48/654750048.db2.gz JITRZZWGYQCWJZ-NHYWBVRUSA-N 1 1 391.295 2.226 20 0 GEADMO COC1(OC)CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931645032 654750804 /nfs/dbraw/zinc/75/08/04/654750804.db2.gz JCYOPWQDISREHD-OAHLLOKOSA-N 1 1 391.295 2.008 20 0 GEADMO COC1(OC)CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931645032 654750806 /nfs/dbraw/zinc/75/08/06/654750806.db2.gz JCYOPWQDISREHD-OAHLLOKOSA-N 1 1 391.295 2.008 20 0 GEADMO COC1(OC)CCOC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000931666598 654752206 /nfs/dbraw/zinc/75/22/06/654752206.db2.gz HVRYCZIOGNMNBZ-SMDDNHRTSA-N 1 1 387.274 2.144 20 0 GEADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nnnn1-c1ccccc1Br ZINC000931727623 654754634 /nfs/dbraw/zinc/75/46/34/654754634.db2.gz VRWTWPOYLXFCRX-QWHCGFSZSA-N 1 1 377.290 2.093 20 0 GEADMO C[N@H+]1CC[C@@H]1CNC(=O)Nc1c(F)cc(I)cc1F ZINC000931732388 654754929 /nfs/dbraw/zinc/75/49/29/654754929.db2.gz JFCSUHANUJSUQR-MRVPVSSYSA-N 1 1 381.164 2.395 20 0 GEADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000912496861 654756908 /nfs/dbraw/zinc/75/69/08/654756908.db2.gz AHKOJEVXLUPBHY-MAUKXSAKSA-N 1 1 379.913 2.459 20 0 GEADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000912496861 654756910 /nfs/dbraw/zinc/75/69/10/654756910.db2.gz AHKOJEVXLUPBHY-MAUKXSAKSA-N 1 1 379.913 2.459 20 0 GEADMO CC(C)N(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931817909 654758278 /nfs/dbraw/zinc/75/82/78/654758278.db2.gz ZQHYNZOSRCOULA-JKSUJKDBSA-N 1 1 381.567 2.181 20 0 GEADMO CC(C)N(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931817909 654758279 /nfs/dbraw/zinc/75/82/79/654758279.db2.gz ZQHYNZOSRCOULA-JKSUJKDBSA-N 1 1 381.567 2.181 20 0 GEADMO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931863311 654759199 /nfs/dbraw/zinc/75/91/99/654759199.db2.gz HTBWZACVQZWXHB-UHFFFAOYSA-N 1 1 388.269 2.230 20 0 GEADMO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)Cc1ncc(Br)cn1 ZINC000931863311 654759203 /nfs/dbraw/zinc/75/92/03/654759203.db2.gz HTBWZACVQZWXHB-UHFFFAOYSA-N 1 1 388.269 2.230 20 0 GEADMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000912606429 654760604 /nfs/dbraw/zinc/76/06/04/654760604.db2.gz CRHUEFLIBSNLAD-UHFFFAOYSA-N 1 1 383.208 2.464 20 0 GEADMO CN(CC[N@@H+](C)CCO)C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000912610633 654760981 /nfs/dbraw/zinc/76/09/81/654760981.db2.gz VQRUSUYZMFDLMK-UHFFFAOYSA-N 1 1 379.551 2.324 20 0 GEADMO O=C1[C@@H]([N@H+]2CC[C@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000932000303 654763873 /nfs/dbraw/zinc/76/38/73/654763873.db2.gz BYBHROXSIAFFPI-WFASDCNBSA-N 1 1 381.270 2.249 20 0 GEADMO NC(=O)NC(=O)CC[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932129464 654767814 /nfs/dbraw/zinc/76/78/14/654767814.db2.gz GPLLEEVRUCSRGW-UHFFFAOYSA-N 1 1 382.258 2.151 20 0 GEADMO NC(=O)NC(=O)CC[N@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932129464 654767818 /nfs/dbraw/zinc/76/78/18/654767818.db2.gz GPLLEEVRUCSRGW-UHFFFAOYSA-N 1 1 382.258 2.151 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000932164139 654768687 /nfs/dbraw/zinc/76/86/87/654768687.db2.gz 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721069680 /nfs/dbraw/zinc/06/96/80/721069680.db2.gz QPCHGAUZHVSOPA-MOPGFXCFSA-N 1 1 382.464 2.051 20 0 GEADMO Cc1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164773126 721070302 /nfs/dbraw/zinc/07/03/02/721070302.db2.gz WMTFKVXUIHBQAO-RBUKOAKNSA-N 1 1 381.528 2.077 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CCCCC5)nn4)C[C@H]3C2)cn1 ZINC001164773627 721071750 /nfs/dbraw/zinc/07/17/50/721071750.db2.gz XUWLODYCHNPLOT-RBUKOAKNSA-N 1 1 381.528 2.159 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164763624 721084700 /nfs/dbraw/zinc/08/47/00/721084700.db2.gz GEFPQDKEFDVFDT-UONOGXRCSA-N 1 1 382.846 2.367 20 0 GEADMO COc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164867175 721087394 /nfs/dbraw/zinc/08/73/94/721087394.db2.gz WNOSICNFSKVEQV-CVEARBPZSA-N 1 1 387.509 2.082 20 0 GEADMO COc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164867178 721087561 /nfs/dbraw/zinc/08/75/61/721087561.db2.gz 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ZINC001164873664 721176197 /nfs/dbraw/zinc/17/61/97/721176197.db2.gz JWLKUQKNDUVYSI-GJZGRUSLSA-N 1 1 375.860 2.013 20 0 GEADMO COC(=O)c1cc2c[nH]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc-2n1 ZINC001164767845 721178684 /nfs/dbraw/zinc/17/86/84/721178684.db2.gz KSULYLFYEAOHBQ-RDJZCZTQSA-N 1 1 394.479 2.041 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccccn5)ncn4)C[C@@H]3C2)cn1 ZINC001164771906 721208676 /nfs/dbraw/zinc/20/86/76/721208676.db2.gz RXSSVNHVAKCMFD-MSOLQXFVSA-N 1 1 375.480 2.230 20 0 GEADMO Cc1noc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2)n1 ZINC001164761337 721210577 /nfs/dbraw/zinc/21/05/77/721210577.db2.gz APZUJFXMBHIVIN-ROUUACIJSA-N 1 1 379.468 2.132 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C(N)=O)cc5ccccc54)C[C@H]3C2)cn1 ZINC001164763365 721211512 /nfs/dbraw/zinc/21/15/12/721211512.db2.gz FNPQKXXVHXYMDC-QZTJIDSGSA-N 1 1 390.491 2.026 20 0 GEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC001164768899 721298796 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0 GEADMO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000131814090 532204416 /nfs/dbraw/zinc/20/44/16/532204416.db2.gz WUWOFSIBGSTZEN-UHFFFAOYSA-N 1 1 381.523 2.214 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000179411803 532230571 /nfs/dbraw/zinc/23/05/71/532230571.db2.gz OPLIOZWCLCSAIO-CABCVRRESA-N 1 1 399.329 2.440 20 0 GEADMO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000178996835 532219804 /nfs/dbraw/zinc/21/98/04/532219804.db2.gz RRLNJKTYQHOCFF-AWEZNQCLSA-N 1 1 378.897 2.135 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)CCO1 ZINC000179125449 532222287 /nfs/dbraw/zinc/22/22/87/532222287.db2.gz SYMWOJIZTWICCH-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)CCO1 ZINC000179125449 532222288 /nfs/dbraw/zinc/22/22/88/532222288.db2.gz SYMWOJIZTWICCH-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO NC(=O)[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc(Br)c1 ZINC000179219026 532225202 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COc1cc(Br)c(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1Cl ZINC000179814368 532245004 /nfs/dbraw/zinc/24/50/04/532245004.db2.gz BWHVJMMHHDCVLH-UHFFFAOYSA-N 1 1 397.722 2.437 20 0 GEADMO COc1cc(Br)c(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1Cl ZINC000179814368 532245008 /nfs/dbraw/zinc/24/50/08/532245008.db2.gz BWHVJMMHHDCVLH-UHFFFAOYSA-N 1 1 397.722 2.437 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CC[C@@H]21 ZINC000179840900 532246990 /nfs/dbraw/zinc/24/69/90/532246990.db2.gz XJGRCSSRLISZPA-RISCZKNCSA-N 1 1 378.274 2.048 20 0 GEADMO COc1ccc(Br)cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000134054473 532248672 /nfs/dbraw/zinc/24/86/72/532248672.db2.gz NKUSUFKRTGZJIJ-AWEZNQCLSA-N 1 1 385.302 2.424 20 0 GEADMO Cc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(Br)n1 ZINC000134102235 532249921 /nfs/dbraw/zinc/24/99/21/532249921.db2.gz KHDSRBGYCQGTAW-OAHLLOKOSA-N 1 1 383.334 2.154 20 0 GEADMO O=C(Cc1ccc(Br)c(F)c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000134158192 532250750 /nfs/dbraw/zinc/25/07/50/532250750.db2.gz JFQXPYJCXLELCK-AWEZNQCLSA-N 1 1 387.293 2.484 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000134139687 532251055 /nfs/dbraw/zinc/25/10/55/532251055.db2.gz PAQVSEAPHSFTIO-NSHDSACASA-N 1 1 386.265 2.327 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(OC)c(I)c2)C1 ZINC000134134299 532251354 /nfs/dbraw/zinc/25/13/54/532251354.db2.gz LEEPYFBEILNACI-NSHDSACASA-N 1 1 388.249 2.371 20 0 GEADMO CN(C)c1nc2sc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2s1 ZINC000179603081 532238350 /nfs/dbraw/zinc/23/83/50/532238350.db2.gz VLXLOIOKEWVKAY-GFCCVEGCSA-N 1 1 382.555 2.391 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2c(c(Br)c1)OCO2 ZINC000179609000 532238472 /nfs/dbraw/zinc/23/84/72/532238472.db2.gz DEGIUKOLFCDVFB-ZDUSSCGKSA-N 1 1 399.285 2.145 20 0 GEADMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000179616661 532238541 /nfs/dbraw/zinc/23/85/41/532238541.db2.gz KWZGWLUMIPPGRF-FUHWJXTLSA-N 1 1 383.330 2.451 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179652369 532239752 /nfs/dbraw/zinc/23/97/52/532239752.db2.gz ZIWXYCGLVYDCMD-GFCCVEGCSA-N 1 1 380.290 2.296 20 0 GEADMO COCCc1noc(C[NH2+]C(C)(C)COc2ncccc2Br)n1 ZINC000180394246 532271017 /nfs/dbraw/zinc/27/10/17/532271017.db2.gz MSGGFSOSPCOLEI-UHFFFAOYSA-N 1 1 385.262 2.363 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000135342400 532271110 /nfs/dbraw/zinc/27/11/10/532271110.db2.gz RLEWLCODRHCUSR-AWEZNQCLSA-N 1 1 389.233 2.037 20 0 GEADMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134471143 532257159 /nfs/dbraw/zinc/25/71/59/532257159.db2.gz IDQYOPSFNRFMMR-JTQLQIEISA-N 1 1 379.404 2.021 20 0 GEADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134471143 532257162 /nfs/dbraw/zinc/25/71/62/532257162.db2.gz IDQYOPSFNRFMMR-JTQLQIEISA-N 1 1 379.404 2.021 20 0 GEADMO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180104052 532257591 /nfs/dbraw/zinc/25/75/91/532257591.db2.gz BETRYCADDGLEII-SNVBAGLBSA-N 1 1 382.349 2.319 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180104052 532257593 /nfs/dbraw/zinc/25/75/93/532257593.db2.gz BETRYCADDGLEII-SNVBAGLBSA-N 1 1 382.349 2.319 20 0 GEADMO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180104070 532257692 /nfs/dbraw/zinc/25/76/92/532257692.db2.gz BETRYCADDGLEII-JTQLQIEISA-N 1 1 382.349 2.319 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000180104070 532257696 /nfs/dbraw/zinc/25/76/96/532257696.db2.gz BETRYCADDGLEII-JTQLQIEISA-N 1 1 382.349 2.319 20 0 GEADMO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000134708448 532262293 /nfs/dbraw/zinc/26/22/93/532262293.db2.gz AOLTVGNOVZCKJV-HUUCEWRRSA-N 1 1 387.571 2.083 20 0 GEADMO C[C@@H](NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1)c1ccc(Br)cc1 ZINC000180697075 532278774 /nfs/dbraw/zinc/27/87/74/532278774.db2.gz DJWZKKAJEVCUFB-GFCCVEGCSA-N 1 1 382.302 2.356 20 0 GEADMO C[C@@H](NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1)c1ccc(Br)cc1 ZINC000180697075 532278775 /nfs/dbraw/zinc/27/87/75/532278775.db2.gz DJWZKKAJEVCUFB-GFCCVEGCSA-N 1 1 382.302 2.356 20 0 GEADMO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)ccc1F ZINC000180744652 532279718 /nfs/dbraw/zinc/27/97/18/532279718.db2.gz CZPZNBGPDPJDRZ-RHSMWYFYSA-N 1 1 376.469 2.494 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000180833632 532282158 /nfs/dbraw/zinc/28/21/58/532282158.db2.gz IPNQPRAFODUDIU-NSHDSACASA-N 1 1 389.315 2.149 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000180833632 532282160 /nfs/dbraw/zinc/28/21/60/532282160.db2.gz IPNQPRAFODUDIU-NSHDSACASA-N 1 1 389.315 2.149 20 0 GEADMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000139142368 532291824 /nfs/dbraw/zinc/29/18/24/532291824.db2.gz IJBBVFOYQGPUQR-ZDUSSCGKSA-N 1 1 387.267 2.371 20 0 GEADMO COCC[NH+]1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000139272479 532293106 /nfs/dbraw/zinc/29/31/06/532293106.db2.gz FOLHBUWCZGEPAC-AWEZNQCLSA-N 1 1 384.318 2.354 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139365942 532293175 /nfs/dbraw/zinc/29/31/75/532293175.db2.gz SZPSZTCYHLNVOD-CYBMUJFWSA-N 1 1 383.290 2.089 20 0 GEADMO O=C1[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181251786 532294231 /nfs/dbraw/zinc/29/42/31/532294231.db2.gz CEUVIKJRRBDRMZ-HZMBPMFUSA-N 1 1 377.293 2.266 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(Br)n1 ZINC000181333027 532295905 /nfs/dbraw/zinc/29/59/05/532295905.db2.gz ZHEPBRLKOXWVQE-GFCCVEGCSA-N 1 1 395.257 2.103 20 0 GEADMO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000144309421 532296707 /nfs/dbraw/zinc/29/67/07/532296707.db2.gz SUXPWVZLDHJIGM-UHFFFAOYSA-N 1 1 384.249 2.223 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181412261 532298158 /nfs/dbraw/zinc/29/81/58/532298158.db2.gz UOQCNHWRXPUYDN-SWLSCSKDSA-N 1 1 385.295 2.492 20 0 GEADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)CC1 ZINC000148610325 532299704 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CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000181782032 532306837 /nfs/dbraw/zinc/30/68/37/532306837.db2.gz QRKSQBLDEIVMFB-FUHWJXTLSA-N 1 1 383.897 2.455 20 0 GEADMO CC(=O)N1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C(C)(C)C1 ZINC000182200287 532310116 /nfs/dbraw/zinc/31/01/16/532310116.db2.gz JPMAOTWSPPZOPX-OAHLLOKOSA-N 1 1 385.302 2.132 20 0 GEADMO CC(=O)N1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C(C)(C)C1 ZINC000182200287 532310117 /nfs/dbraw/zinc/31/01/17/532310117.db2.gz JPMAOTWSPPZOPX-OAHLLOKOSA-N 1 1 385.302 2.132 20 0 GEADMO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000182659253 532315848 /nfs/dbraw/zinc/31/58/48/532315848.db2.gz BOTFPGONIGRKOD-CABCVRRESA-N 1 1 379.931 2.059 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000182838785 532318807 /nfs/dbraw/zinc/31/88/07/532318807.db2.gz RFEHLHCUHGWSRH-JSGCOSHPSA-N 1 1 395.301 2.034 20 0 GEADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183117438 532321873 /nfs/dbraw/zinc/32/18/73/532321873.db2.gz BEMOBNUKYNQXBY-UHFFFAOYSA-N 1 1 399.333 2.000 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000185319530 532337564 /nfs/dbraw/zinc/33/75/64/532337564.db2.gz HZGCGMLEKBGSCL-CYBMUJFWSA-N 1 1 382.452 2.092 20 0 GEADMO C[NH+]1CCN(C(=O)CN2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000185636202 532338245 /nfs/dbraw/zinc/33/82/45/532338245.db2.gz ZHNJEEMMEUBZCW-MRXNPFEDSA-N 1 1 384.293 2.499 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000185774988 532338633 /nfs/dbraw/zinc/33/86/33/532338633.db2.gz DNCXBFKJJDMNHG-LLVKDONJSA-N 1 1 377.304 2.078 20 0 GEADMO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186013552 532339610 /nfs/dbraw/zinc/33/96/10/532339610.db2.gz NCWMQWLEPUMLHE-UHFFFAOYSA-N 1 1 377.388 2.019 20 0 GEADMO CC[NH+]1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000186273238 532340332 /nfs/dbraw/zinc/34/03/32/532340332.db2.gz ZCRYPZUFMBWDJU-UHFFFAOYSA-N 1 1 377.080 2.384 20 0 GEADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000186562915 532341242 /nfs/dbraw/zinc/34/12/42/532341242.db2.gz WQEDJTBFZBGFNH-PBHICJAKSA-N 1 1 389.279 2.219 20 0 GEADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000186562915 532341243 /nfs/dbraw/zinc/34/12/43/532341243.db2.gz WQEDJTBFZBGFNH-PBHICJAKSA-N 1 1 389.279 2.219 20 0 GEADMO O[C@H](CNCc1cncc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000186587499 532341365 /nfs/dbraw/zinc/34/13/65/532341365.db2.gz WVFXUCKGKPLXAR-GOSISDBHSA-N 1 1 376.298 2.353 20 0 GEADMO O[C@H](C[NH2+]Cc1cncc(Br)c1)CN1CCc2ccccc2C1 ZINC000186587499 532341366 /nfs/dbraw/zinc/34/13/66/532341366.db2.gz WVFXUCKGKPLXAR-GOSISDBHSA-N 1 1 376.298 2.353 20 0 GEADMO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000186618555 532341454 /nfs/dbraw/zinc/34/14/54/532341454.db2.gz JMRUMEJBQVZAGV-UHFFFAOYSA-N 1 1 376.473 2.035 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186776883 532341867 /nfs/dbraw/zinc/34/18/67/532341867.db2.gz GYZAFEXYJOAMOJ-ZDUSSCGKSA-N 1 1 394.313 2.355 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000186954245 532342812 /nfs/dbraw/zinc/34/28/12/532342812.db2.gz MFMGJUZJFIUDSF-OZVIIMIRSA-N 1 1 375.296 2.330 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000183633583 532326842 /nfs/dbraw/zinc/32/68/42/532326842.db2.gz DPGVZIDGBQYXBK-SECBINFHSA-N 1 1 377.080 2.431 20 0 GEADMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)NC(=O)Nc1ccccc1 ZINC000183909780 532329868 /nfs/dbraw/zinc/32/98/68/532329868.db2.gz APOYIDDYZJVPGI-OAHLLOKOSA-N 1 1 392.253 2.420 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000183958417 532330436 /nfs/dbraw/zinc/33/04/36/532330436.db2.gz SGMQBQUFTAVODZ-LBPRGKRZSA-N 1 1 375.332 2.360 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000184307053 532331685 /nfs/dbraw/zinc/33/16/85/532331685.db2.gz XZOYGDOXYKDSMZ-CYBMUJFWSA-N 1 1 386.309 2.273 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000184325243 532332051 /nfs/dbraw/zinc/33/20/51/532332051.db2.gz FBOLDCHKZMUZMF-GJZGRUSLSA-N 1 1 398.345 2.359 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000184330322 532332086 /nfs/dbraw/zinc/33/20/86/532332086.db2.gz NONPPDTURNVLOV-CABCVRRESA-N 1 1 380.432 2.407 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000184329367 532332131 /nfs/dbraw/zinc/33/21/31/532332131.db2.gz YFWFQZPUNSSWKY-HUUCEWRRSA-N 1 1 398.345 2.359 20 0 GEADMO Brc1ccc2nc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000184974800 532336442 /nfs/dbraw/zinc/33/64/42/532336442.db2.gz SAQGMDICVSLIOQ-ZDUSSCGKSA-N 1 1 379.302 2.480 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1cccc(Br)c1 ZINC000188031428 532346434 /nfs/dbraw/zinc/34/64/34/532346434.db2.gz MCOQLDLYHHLARX-ZDUSSCGKSA-N 1 1 384.318 2.436 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000188121774 532346793 /nfs/dbraw/zinc/34/67/93/532346793.db2.gz NVVRMNMOCLNUKN-ZDUSSCGKSA-N 1 1 380.286 2.311 20 0 GEADMO CCN1CC[NH+](CCC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000188483244 532348363 /nfs/dbraw/zinc/34/83/63/532348363.db2.gz ZIXBKPYRPCNAGQ-UHFFFAOYSA-N 1 1 384.318 2.102 20 0 GEADMO CCC(CC)[C@H](CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)[NH+](C)C ZINC000189112984 532350866 /nfs/dbraw/zinc/35/08/66/532350866.db2.gz HNIZHYYMJZAJLO-INIZCTEOSA-N 1 1 390.571 2.043 20 0 GEADMO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000189149233 532351011 /nfs/dbraw/zinc/35/10/11/532351011.db2.gz QEOQDVFNYVXZFK-OLZOCXBDSA-N 1 1 384.318 2.271 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC[N@@H+]1CCO ZINC000189293279 532351666 /nfs/dbraw/zinc/35/16/66/532351666.db2.gz CVLVCHUDNBUGDY-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC[N@H+]1CCO ZINC000189293279 532351667 /nfs/dbraw/zinc/35/16/67/532351667.db2.gz CVLVCHUDNBUGDY-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000189392698 532351909 /nfs/dbraw/zinc/35/19/09/532351909.db2.gz IXVZTPQLJHDUON-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000189392698 532351910 /nfs/dbraw/zinc/35/19/10/532351910.db2.gz IXVZTPQLJHDUON-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000189460106 532352274 /nfs/dbraw/zinc/35/22/74/532352274.db2.gz OJXUUNBIYRKAEI-LBPRGKRZSA-N 1 1 385.302 2.455 20 0 GEADMO CC(C)Oc1cc(Br)cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189715244 532353298 /nfs/dbraw/zinc/35/32/98/532353298.db2.gz GXFRXZCSCLYIER-ZDUSSCGKSA-N 1 1 385.302 2.375 20 0 GEADMO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)CC1(O)CCOCC1 ZINC000189756627 532353528 /nfs/dbraw/zinc/35/35/28/532353528.db2.gz BFRYLYBRNKCYEX-UHFFFAOYSA-N 1 1 396.285 2.396 20 0 GEADMO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)CC1(O)CCOCC1 ZINC000189756627 532353529 /nfs/dbraw/zinc/35/35/29/532353529.db2.gz BFRYLYBRNKCYEX-UHFFFAOYSA-N 1 1 396.285 2.396 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000189940289 532354123 /nfs/dbraw/zinc/35/41/23/532354123.db2.gz FHJDQICIXSKIBF-CQSZACIVSA-N 1 1 382.507 2.424 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190004233 532354337 /nfs/dbraw/zinc/35/43/37/532354337.db2.gz ZHHLGKJYLGPFSV-BETUJISGSA-N 1 1 388.555 2.489 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190079768 532354766 /nfs/dbraw/zinc/35/47/66/532354766.db2.gz RLUNMLVGFHFWNS-GXTWGEPZSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@@H](C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190356238 532355730 /nfs/dbraw/zinc/35/57/30/532355730.db2.gz UKEGPXSBMFZZHV-NSHDSACASA-N 1 1 386.279 2.290 20 0 GEADMO C[N@@H+](CCOCCO)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510763 532356482 /nfs/dbraw/zinc/35/64/82/532356482.db2.gz LGCXPXLPHLTYKJ-HNNXBMFYSA-N 1 1 388.302 2.448 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000190836566 532358180 /nfs/dbraw/zinc/35/81/80/532358180.db2.gz QFGSSTHVABMUED-SECBINFHSA-N 1 1 390.228 2.124 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190836637 532358225 /nfs/dbraw/zinc/35/82/25/532358225.db2.gz BYJGBEHWZPRMJN-UTUOFQBUSA-N 1 1 388.249 2.178 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1(CO)CCOCC1 ZINC000191018704 532359118 /nfs/dbraw/zinc/35/91/18/532359118.db2.gz CUZQVXNFNHRUSV-UHFFFAOYSA-N 1 1 378.803 2.353 20 0 GEADMO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191099081 532359574 /nfs/dbraw/zinc/35/95/74/532359574.db2.gz ZSHGCHBSVOZVPB-UHFFFAOYSA-N 1 1 380.491 2.157 20 0 GEADMO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000191138179 532359755 /nfs/dbraw/zinc/35/97/55/532359755.db2.gz VUMFDFVDXBRHNS-BVUQATHDSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000191138179 532359756 /nfs/dbraw/zinc/35/97/56/532359756.db2.gz VUMFDFVDXBRHNS-BVUQATHDSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000187386605 532344286 /nfs/dbraw/zinc/34/42/86/532344286.db2.gz NWLUEFBXCCBXIB-GFCCVEGCSA-N 1 1 387.311 2.074 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187389184 532344296 /nfs/dbraw/zinc/34/42/96/532344296.db2.gz PVLHLSIGJYYRIU-GFCCVEGCSA-N 1 1 387.311 2.074 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NOCc1ccc(F)cc1Br ZINC000187380631 532344347 /nfs/dbraw/zinc/34/43/47/532344347.db2.gz YEHLEOMQLCWJJA-UHFFFAOYSA-N 1 1 390.253 2.041 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000187416609 532344492 /nfs/dbraw/zinc/34/44/92/532344492.db2.gz SZJQIFJPFGPJES-UHFFFAOYSA-N 1 1 383.290 2.044 20 0 GEADMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cn3cccc(F)c3n2)c(C)s1 ZINC000677323334 532372339 /nfs/dbraw/zinc/37/23/39/532372339.db2.gz WKLYCCHJAUJDGG-UHFFFAOYSA-N 1 1 382.486 2.220 20 0 GEADMO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372229318 532378595 /nfs/dbraw/zinc/37/85/95/532378595.db2.gz URVBRSDWGYQVHN-ZIAGYGMSSA-N 1 1 392.297 2.452 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)c(F)cc3F)[C@@H]2C1 ZINC000425214817 532374236 /nfs/dbraw/zinc/37/42/36/532374236.db2.gz KMOROTQOZCELLO-TVQRCGJNSA-N 1 1 395.269 2.442 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1Cc2cccc(Br)c2C1 ZINC000372223065 532376714 /nfs/dbraw/zinc/37/67/14/532376714.db2.gz PZFHYKQSDKSGCF-KBPBESRZSA-N 1 1 380.286 2.338 20 0 GEADMO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000647568325 532376952 /nfs/dbraw/zinc/37/69/52/532376952.db2.gz KQGXWNGDTUMQTF-INIZCTEOSA-N 1 1 396.329 2.350 20 0 GEADMO COC(=O)c1coc([C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000278387594 532377210 /nfs/dbraw/zinc/37/72/10/532377210.db2.gz DNHMXPSSFAGHNW-NSHDSACASA-N 1 1 386.495 2.374 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](COC)C1 ZINC000294720345 532377453 /nfs/dbraw/zinc/37/74/53/532377453.db2.gz GCMPXOZIJUITOJ-QWHCGFSZSA-N 1 1 385.302 2.431 20 0 GEADMO C[C@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)CC1CC1)C(=O)N(C)C ZINC000191458004 532361172 /nfs/dbraw/zinc/36/11/72/532361172.db2.gz YWJRIGXFEDETNY-ZDUSSCGKSA-N 1 1 396.329 2.254 20 0 GEADMO CCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615504 532361674 /nfs/dbraw/zinc/36/16/74/532361674.db2.gz TYQCZBKDEXVUGI-UHFFFAOYSA-N 1 1 384.318 2.373 20 0 GEADMO CCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615504 532361675 /nfs/dbraw/zinc/36/16/75/532361675.db2.gz TYQCZBKDEXVUGI-UHFFFAOYSA-N 1 1 384.318 2.373 20 0 GEADMO CNC(=O)CCC[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696248 532361919 /nfs/dbraw/zinc/36/19/19/532361919.db2.gz AHGGPUJXKHGTTF-UHFFFAOYSA-N 1 1 384.318 2.244 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Br)[C@H](C)C1 ZINC000294502637 532363082 /nfs/dbraw/zinc/36/30/82/532363082.db2.gz YIRLBRJOPLUWKV-TZMCWYRMSA-N 1 1 387.322 2.049 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000371951171 532363321 /nfs/dbraw/zinc/36/33/21/532363321.db2.gz QZPKITJBWMHAEH-YHWZYXNKSA-N 1 1 386.901 2.278 20 0 GEADMO CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCCF ZINC000557432919 532364234 /nfs/dbraw/zinc/36/42/34/532364234.db2.gz VMXVIBAUQGHKAT-MSOLQXFVSA-N 1 1 377.570 2.335 20 0 GEADMO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)CCCCF ZINC000557432919 532364244 /nfs/dbraw/zinc/36/42/44/532364244.db2.gz VMXVIBAUQGHKAT-MSOLQXFVSA-N 1 1 377.570 2.335 20 0 GEADMO CCCN(C(=O)C(=O)NCc1sccc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000647021049 532365294 /nfs/dbraw/zinc/36/52/94/532365294.db2.gz XLBXJVGFFKDHDX-NSHDSACASA-N 1 1 388.331 2.070 20 0 GEADMO C[N@@H+](CCNC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000277895474 532365454 /nfs/dbraw/zinc/36/54/54/532365454.db2.gz CLLBODDAWQGVEA-UHFFFAOYSA-N 1 1 378.270 2.340 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621736432 532366266 /nfs/dbraw/zinc/36/62/66/532366266.db2.gz BRLHASRGLLPZNP-YDHLFZDLSA-N 1 1 399.329 2.413 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621736432 532366270 /nfs/dbraw/zinc/36/62/70/532366270.db2.gz BRLHASRGLLPZNP-YDHLFZDLSA-N 1 1 399.329 2.413 20 0 GEADMO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000372014230 532366625 /nfs/dbraw/zinc/36/66/25/532366625.db2.gz VYQAITRKNRGUPU-UHFFFAOYSA-N 1 1 382.507 2.016 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2COC)C[C@@H]1C ZINC000677219696 532367007 /nfs/dbraw/zinc/36/70/07/532367007.db2.gz RYSYNHHCRLJFJN-LBPRGKRZSA-N 1 1 398.301 2.087 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2COC)C[C@@H]1C ZINC000677219696 532367011 /nfs/dbraw/zinc/36/70/11/532367011.db2.gz RYSYNHHCRLJFJN-LBPRGKRZSA-N 1 1 398.301 2.087 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1C ZINC000677217303 532368154 /nfs/dbraw/zinc/36/81/54/532368154.db2.gz CAJVUCWWDMYZFG-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1C ZINC000677217303 532368161 /nfs/dbraw/zinc/36/81/61/532368161.db2.gz CAJVUCWWDMYZFG-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO O=S(=O)(Cc1nc([C@H]2CCC[NH2+]2)no1)Cc1cccc(Br)c1 ZINC000647152056 532369804 /nfs/dbraw/zinc/36/98/04/532369804.db2.gz WHCDZANROHFEIB-GFCCVEGCSA-N 1 1 386.271 2.372 20 0 GEADMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000278028708 532370275 /nfs/dbraw/zinc/37/02/75/532370275.db2.gz BDPFBTHSPCRILT-WFASDCNBSA-N 1 1 376.266 2.434 20 0 GEADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000278028708 532370282 /nfs/dbraw/zinc/37/02/82/532370282.db2.gz BDPFBTHSPCRILT-WFASDCNBSA-N 1 1 376.266 2.434 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)c1cc(Br)c(Cl)cc1OC ZINC000192027891 532379830 /nfs/dbraw/zinc/37/98/30/532379830.db2.gz GMWRGNRXNHICIH-UHFFFAOYSA-N 1 1 379.682 2.419 20 0 GEADMO O=C(CCCOc1cccc(Br)c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647708135 532381103 /nfs/dbraw/zinc/38/11/03/532381103.db2.gz JDWLNRBDOPAWTQ-HZPDHXFCSA-N 1 1 397.313 2.276 20 0 GEADMO O=C(CCCOc1ccccc1Br)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647707006 532381233 /nfs/dbraw/zinc/38/12/33/532381233.db2.gz UWHVVNUUJAMFDO-LSDHHAIUSA-N 1 1 397.313 2.276 20 0 GEADMO O=C(Nc1cncc(Br)c1)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000372296946 532381680 /nfs/dbraw/zinc/38/16/80/532381680.db2.gz GHJOKEFIBGKTOU-CABCVRRESA-N 1 1 383.290 2.297 20 0 GEADMO CC(=O)N(C)C1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192072191 532382151 /nfs/dbraw/zinc/38/21/51/532382151.db2.gz JDNAXMIQGRLFDO-KRWDZBQOSA-N 1 1 394.313 2.497 20 0 GEADMO C[C@@H](CNC(=O)c1cc(Br)nn1C)[N@H+]1CCc2ccccc2C1 ZINC000192065920 532382320 /nfs/dbraw/zinc/38/23/20/532382320.db2.gz CIYWIEAQNRFGHZ-LBPRGKRZSA-N 1 1 377.286 2.359 20 0 GEADMO NC(=O)CC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192061850 532383307 /nfs/dbraw/zinc/38/33/07/532383307.db2.gz RYQOHEOHUORVJY-HNNXBMFYSA-N 1 1 380.286 2.142 20 0 GEADMO O=C(COc1ccccc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000677872634 532383493 /nfs/dbraw/zinc/38/34/93/532383493.db2.gz RKBLAHYWYLTFSJ-CQSZACIVSA-N 1 1 383.286 2.151 20 0 GEADMO COCCSCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000278511417 532383774 /nfs/dbraw/zinc/38/37/74/532383774.db2.gz NCYOZZQZSHLXQO-UHFFFAOYSA-N 1 1 390.546 2.292 20 0 GEADMO CCOCC[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192072957 532383860 /nfs/dbraw/zinc/38/38/60/532383860.db2.gz PIUSPIDCMIDVGM-QGZVFWFLSA-N 1 1 396.329 2.209 20 0 GEADMO CC(C)[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc(Br)c1 ZINC000516308161 532384771 /nfs/dbraw/zinc/38/47/71/532384771.db2.gz MHQGEXCOFVZBKG-CYBMUJFWSA-N 1 1 384.318 2.252 20 0 GEADMO CC(C)[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc(Br)c1 ZINC000516308161 532384777 /nfs/dbraw/zinc/38/47/77/532384777.db2.gz MHQGEXCOFVZBKG-CYBMUJFWSA-N 1 1 384.318 2.252 20 0 GEADMO OC[C@H]1CCCN1Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC000192072933 532384846 /nfs/dbraw/zinc/38/48/46/532384846.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 1 1 383.330 2.363 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCc3cc(Br)sc3C2)C1 ZINC000372342380 532385269 /nfs/dbraw/zinc/38/52/69/532385269.db2.gz RQEOYARQXSHENM-GFCCVEGCSA-N 1 1 388.331 2.299 20 0 GEADMO Cc1c[nH+]cn1C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000372320170 532385470 /nfs/dbraw/zinc/38/54/70/532385470.db2.gz KXEMYEXYERUSQV-UHFFFAOYSA-N 1 1 389.257 2.474 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000372373791 532387382 /nfs/dbraw/zinc/38/73/82/532387382.db2.gz DNZVPKYVEXYIAR-WFASDCNBSA-N 1 1 380.286 2.249 20 0 GEADMO Cc1cc(CNC(=O)c2nn(C)cc2Br)cc(N2CCCC2)[nH+]1 ZINC000294852621 532387699 /nfs/dbraw/zinc/38/76/99/532387699.db2.gz XRNGSQUKNNDLCO-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Br)nn1C ZINC000192121626 532387757 /nfs/dbraw/zinc/38/77/57/532387757.db2.gz BUBCLDKRAFFNNI-JSGCOSHPSA-N 1 1 392.301 2.218 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2csc(Br)c2)CC[N@H+]1C ZINC000558211768 532388262 /nfs/dbraw/zinc/38/82/62/532388262.db2.gz YPVRBUAKXCIRDB-CMPLNLGQSA-N 1 1 388.331 2.068 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)[C@H](C)C1 ZINC000425672875 532388890 /nfs/dbraw/zinc/38/88/90/532388890.db2.gz LVOFIZBQFLDRCL-VXGBXAGGSA-N 1 1 396.289 2.016 20 0 GEADMO Cn1cc([C@H]2C[N@@H+](Cc3c(Br)cnn3C)CC23CCOCC3)cn1 ZINC000294970831 532393676 /nfs/dbraw/zinc/39/36/76/532393676.db2.gz IZCPXZPBZPAUEG-CQSZACIVSA-N 1 1 394.317 2.312 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)NCc2csc(Br)c2)CC1 ZINC000590953346 532394332 /nfs/dbraw/zinc/39/43/32/532394332.db2.gz NJLWQOULNMAEQO-UHFFFAOYSA-N 1 1 389.363 2.337 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192215258 532394659 /nfs/dbraw/zinc/39/46/59/532394659.db2.gz TVBLZASQYRRHER-UHFFFAOYSA-N 1 1 399.738 2.349 20 0 GEADMO O=C(N[C@@H]1CC[C@H]1O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000425776796 532394813 /nfs/dbraw/zinc/39/48/13/532394813.db2.gz ULVPHGVOBMTHNI-HZPDHXFCSA-N 1 1 382.302 2.236 20 0 GEADMO O=S1(=O)CC[C@@H](CC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000678537080 532398337 /nfs/dbraw/zinc/39/83/37/532398337.db2.gz ANCRCNXXEOAAQB-TZMCWYRMSA-N 1 1 378.416 2.378 20 0 GEADMO O=S1(=O)CC[C@@H](CC[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000678537080 532398342 /nfs/dbraw/zinc/39/83/42/532398342.db2.gz ANCRCNXXEOAAQB-TZMCWYRMSA-N 1 1 378.416 2.378 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372552791 532396676 /nfs/dbraw/zinc/39/66/76/532396676.db2.gz KYGUMBKCCAXHEM-UHFFFAOYSA-N 1 1 398.345 2.475 20 0 GEADMO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678629817 532399666 /nfs/dbraw/zinc/39/96/66/532399666.db2.gz PPVQVJHHDUYWFU-UONOGXRCSA-N 1 1 375.296 2.140 20 0 GEADMO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678629817 532399673 /nfs/dbraw/zinc/39/96/73/532399673.db2.gz PPVQVJHHDUYWFU-UONOGXRCSA-N 1 1 375.296 2.140 20 0 GEADMO O=S(=O)(Cc1ccc(C(F)F)cc1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000559053572 532400165 /nfs/dbraw/zinc/40/01/65/532400165.db2.gz KHVFFABDCKQISG-MRXNPFEDSA-N 1 1 376.469 2.281 20 0 GEADMO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(C)cc2Br)CCOC1 ZINC000464595857 532400600 /nfs/dbraw/zinc/40/06/00/532400600.db2.gz AWKDNFZNIHMNDT-MRXNPFEDSA-N 1 1 385.258 2.008 20 0 GEADMO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678631077 532399246 /nfs/dbraw/zinc/39/92/46/532399246.db2.gz XQGQPKOBGFVHCQ-KBPBESRZSA-N 1 1 375.296 2.140 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678631081 532399315 /nfs/dbraw/zinc/39/93/15/532399315.db2.gz XQGQPKOBGFVHCQ-ZIAGYGMSSA-N 1 1 375.296 2.140 20 0 GEADMO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678631079 532399333 /nfs/dbraw/zinc/39/93/33/532399333.db2.gz XQGQPKOBGFVHCQ-KGLIPLIRSA-N 1 1 375.296 2.140 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000624606461 532399317 /nfs/dbraw/zinc/39/93/17/532399317.db2.gz NQEYCQSWQRWRBP-CQSZACIVSA-N 1 1 383.286 2.395 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624632525 532401271 /nfs/dbraw/zinc/40/12/71/532401271.db2.gz ZNDYKQPQKZAWFT-LBPRGKRZSA-N 1 1 385.306 2.384 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cn1 ZINC000279738128 532401358 /nfs/dbraw/zinc/40/13/58/532401358.db2.gz WXCUGQDLIWIQDP-QWHCGFSZSA-N 1 1 399.333 2.392 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccnc2OCC(F)F)C[C@H]1C ZINC000625009295 532404720 /nfs/dbraw/zinc/40/47/20/532404720.db2.gz MJILHNODZFENGV-CHWSQXEVSA-N 1 1 377.457 2.219 20 0 GEADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000648842162 532405115 /nfs/dbraw/zinc/40/51/15/532405115.db2.gz IPDQETSRCKEEKK-INIZCTEOSA-N 1 1 381.314 2.394 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000559759743 532405401 /nfs/dbraw/zinc/40/54/01/532405401.db2.gz FLSXTQLBTCWJMZ-AWEZNQCLSA-N 1 1 396.329 2.256 20 0 GEADMO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679472982 532405399 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CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000298854232 532679563 /nfs/dbraw/zinc/67/95/63/532679563.db2.gz NCFZCTWDDJMFAP-UHFFFAOYSA-N 1 1 382.302 2.008 20 0 GEADMO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000298854232 532679567 /nfs/dbraw/zinc/67/95/67/532679567.db2.gz NCFZCTWDDJMFAP-UHFFFAOYSA-N 1 1 382.302 2.008 20 0 GEADMO CCN(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264835957 532680038 /nfs/dbraw/zinc/68/00/38/532680038.db2.gz KAMCYRIUTYKWMW-INIZCTEOSA-N 1 1 383.334 2.226 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000264834076 532680279 /nfs/dbraw/zinc/68/02/79/532680279.db2.gz DRZJCWTXBWEZGR-AGIUHOORSA-N 1 1 382.302 2.212 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661511498 532680504 /nfs/dbraw/zinc/68/05/04/532680504.db2.gz YGFIAEKMQONIMD-UONOGXRCSA-N 1 1 397.317 2.148 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000568595179 532680934 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[NH3+]CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)F ZINC000383538549 532703045 /nfs/dbraw/zinc/70/30/45/532703045.db2.gz KGKQRZRABQGQCL-MRVPVSSYSA-N 1 1 377.638 2.363 20 0 GEADMO Cc1csc([C@](O)(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C(F)(F)F)n1 ZINC000266037298 532701321 /nfs/dbraw/zinc/70/13/21/532701321.db2.gz BMSHCIUHPIYXTM-IFUGULHKSA-N 1 1 379.448 2.390 20 0 GEADMO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000378310190 532688586 /nfs/dbraw/zinc/68/85/86/532688586.db2.gz UIBQUDQSQFYOMA-DOTOQJQBSA-N 1 1 385.961 2.295 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cc(Cl)sc1Cl ZINC000536129455 532690837 /nfs/dbraw/zinc/69/08/37/532690837.db2.gz JCGMQLHDACGCLL-SNVBAGLBSA-N 1 1 379.313 2.194 20 0 GEADMO [NH3+]CC[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)F ZINC000383538551 532703769 /nfs/dbraw/zinc/70/37/69/532703769.db2.gz KGKQRZRABQGQCL-QMMMGPOBSA-N 1 1 377.638 2.363 20 0 GEADMO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000607158127 532705122 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20 0 GEADMO C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000299313968 532709388 /nfs/dbraw/zinc/70/93/88/532709388.db2.gz NPBWMQOOVGNHKG-YPMHNXCESA-N 1 1 389.265 2.389 20 0 GEADMO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000608037807 532709710 /nfs/dbraw/zinc/70/97/10/532709710.db2.gz DOCOTUUXLIQBMR-ZFWWWQNUSA-N 1 1 387.571 2.440 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000285798170 532709850 /nfs/dbraw/zinc/70/98/50/532709850.db2.gz LOXFQQKCJYJONB-RHSMWYFYSA-N 1 1 384.929 2.447 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000285798170 532709854 /nfs/dbraw/zinc/70/98/54/532709854.db2.gz LOXFQQKCJYJONB-RHSMWYFYSA-N 1 1 384.929 2.447 20 0 GEADMO C[N@H+]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC000643885408 532710006 /nfs/dbraw/zinc/71/00/06/532710006.db2.gz XBLHQFJHFHIPBC-QGZVFWFLSA-N 1 1 379.913 2.476 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)[C@@H](C)C1 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CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1Br ZINC000494317080 532717238 /nfs/dbraw/zinc/71/72/38/532717238.db2.gz KYNZHBIIWZHGBF-ZYHUDNBSSA-N 1 1 383.290 2.413 20 0 GEADMO Cc1ccsc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000538757320 532717827 /nfs/dbraw/zinc/71/78/27/532717827.db2.gz GMWSHQAGXZOFCP-IRXDYDNUSA-N 1 1 380.535 2.218 20 0 GEADMO COC[C@](C)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000440560637 532717987 /nfs/dbraw/zinc/71/79/87/532717987.db2.gz SEYKRHZDSDUDIK-HNNXBMFYSA-N 1 1 398.308 2.325 20 0 GEADMO C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000575884221 532721278 /nfs/dbraw/zinc/72/12/78/532721278.db2.gz DVQVFJJODRLPLL-OCCSQVGLSA-N 1 1 397.317 2.207 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000299571093 532726922 /nfs/dbraw/zinc/72/69/22/532726922.db2.gz UCRJODZDNVBNCF-OCCSQVGLSA-N 1 1 395.301 2.115 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000286086040 532727268 /nfs/dbraw/zinc/72/72/68/532727268.db2.gz HMCWFNUKKJMVAA-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286077150 532727816 /nfs/dbraw/zinc/72/78/16/532727816.db2.gz SEOPRCQZONOTBS-SUYBPPKGSA-N 1 1 387.293 2.417 20 0 GEADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286077150 532727820 /nfs/dbraw/zinc/72/78/20/532727820.db2.gz SEOPRCQZONOTBS-SUYBPPKGSA-N 1 1 387.293 2.417 20 0 GEADMO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CN1CCN(C)CC1 ZINC000576220478 532728025 /nfs/dbraw/zinc/72/80/25/532728025.db2.gz RXOCQKYIHMFPQW-HNNXBMFYSA-N 1 1 397.361 2.251 20 0 GEADMO Cc1nsc(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)n1 ZINC000266859492 532728298 /nfs/dbraw/zinc/72/82/98/532728298.db2.gz JBYYZGLSEFBTBM-UHFFFAOYSA-N 1 1 377.539 2.005 20 0 GEADMO CC[N@H+]1CCCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000266879722 532728659 /nfs/dbraw/zinc/72/86/59/532728659.db2.gz BUUUPPMCLBQIDB-UHFFFAOYSA-N 1 1 379.917 2.441 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000286097991 532728891 /nfs/dbraw/zinc/72/88/91/532728891.db2.gz NMQIXOKACNLSTG-AWEZNQCLSA-N 1 1 378.885 2.314 20 0 GEADMO CC1(C)CN(C(=O)NCCc2ccc(Br)s2)CC[N@H+]1CCO ZINC000672705813 532729131 /nfs/dbraw/zinc/72/91/31/532729131.db2.gz UHDDLABTOOKJCX-UHFFFAOYSA-N 1 1 390.347 2.151 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000266923999 532730182 /nfs/dbraw/zinc/73/01/82/532730182.db2.gz LVWJCPWQJROYHY-LLVKDONJSA-N 1 1 389.315 2.149 20 0 GEADMO CS(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1C(F)F ZINC000539435930 532730374 /nfs/dbraw/zinc/73/03/74/532730374.db2.gz ZNIDNKSNXZINMM-UHFFFAOYSA-N 1 1 393.481 2.198 20 0 GEADMO CC[N@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000299630581 532730973 /nfs/dbraw/zinc/73/09/73/532730973.db2.gz NPGMODJGLYPHHU-UHFFFAOYSA-N 1 1 388.331 2.137 20 0 GEADMO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000673820141 532731236 /nfs/dbraw/zinc/73/12/36/532731236.db2.gz NYNDJUPUNDPEIZ-LLVKDONJSA-N 1 1 377.304 2.139 20 0 GEADMO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000673820141 532731239 /nfs/dbraw/zinc/73/12/39/532731239.db2.gz NYNDJUPUNDPEIZ-LLVKDONJSA-N 1 1 377.304 2.139 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000613585917 532731931 /nfs/dbraw/zinc/73/19/31/532731931.db2.gz HFFYRFFLIZQSDY-UHFFFAOYSA-N 1 1 382.258 2.148 20 0 GEADMO Cc1nc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1I ZINC000410014420 532731945 /nfs/dbraw/zinc/73/19/45/532731945.db2.gz WRFPKSIJAKWQLB-SNVBAGLBSA-N 1 1 391.278 2.370 20 0 GEADMO Cc1nc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1I ZINC000410014420 532731952 /nfs/dbraw/zinc/73/19/52/532731952.db2.gz WRFPKSIJAKWQLB-SNVBAGLBSA-N 1 1 391.278 2.370 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000577079995 532732126 /nfs/dbraw/zinc/73/21/26/532732126.db2.gz UNUHUULKGPBGSR-UHFFFAOYSA-N 1 1 382.452 2.180 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1Cl ZINC000500060726 532732290 /nfs/dbraw/zinc/73/22/90/532732290.db2.gz QTNWGNZQVLBKHD-JTQLQIEISA-N 1 1 377.869 2.152 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1Cl ZINC000500060726 532732296 /nfs/dbraw/zinc/73/22/96/532732296.db2.gz QTNWGNZQVLBKHD-JTQLQIEISA-N 1 1 377.869 2.152 20 0 GEADMO C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539504915 532732502 /nfs/dbraw/zinc/73/25/02/532732502.db2.gz WVONBCQGTYRTPS-NWDGAFQWSA-N 1 1 384.885 2.115 20 0 GEADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408438894 532718945 /nfs/dbraw/zinc/71/89/45/532718945.db2.gz LUMQWXYHMWKADA-QWRGUYRKSA-N 1 1 378.270 2.455 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408438894 532718955 /nfs/dbraw/zinc/71/89/55/532718955.db2.gz LUMQWXYHMWKADA-QWRGUYRKSA-N 1 1 378.270 2.455 20 0 GEADMO Cc1cc(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)ccc1Br ZINC000408446772 532719561 /nfs/dbraw/zinc/71/95/61/532719561.db2.gz QGMKZDUDSCBRTN-UHFFFAOYSA-N 1 1 399.314 2.002 20 0 GEADMO Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000408446412 532719633 /nfs/dbraw/zinc/71/96/33/532719633.db2.gz LDLYAQBFQUYLKE-UHFFFAOYSA-N 1 1 399.314 2.002 20 0 GEADMO C[C@H](CNC(=O)CCn1cc(Br)ccc1=O)[N@H+]1CCCC[C@H]1C ZINC000495325068 532719610 /nfs/dbraw/zinc/71/96/10/532719610.db2.gz CBMPZYODRSUTJR-ZIAGYGMSSA-N 1 1 384.318 2.380 20 0 GEADMO CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000285932054 532719804 /nfs/dbraw/zinc/71/98/04/532719804.db2.gz LPQHFHYYJSHBES-KGLIPLIRSA-N 1 1 399.264 2.015 20 0 GEADMO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000502867965 532742805 /nfs/dbraw/zinc/74/28/05/532742805.db2.gz ZROIQKJVOBSTLZ-UONOGXRCSA-N 1 1 393.285 2.427 20 0 GEADMO O=S(=O)(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000443234313 532743128 /nfs/dbraw/zinc/74/31/28/532743128.db2.gz FUDRGGVIGNEWTD-GOSISDBHSA-N 1 1 380.897 2.255 20 0 GEADMO CCc1ncc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 ZINC000540811518 532745356 /nfs/dbraw/zinc/74/53/56/532745356.db2.gz MKUGTGAHSWJSBW-UHFFFAOYSA-N 1 1 387.552 2.078 20 0 GEADMO COc1ccc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)c(Br)c1 ZINC000286420587 532746167 /nfs/dbraw/zinc/74/61/67/532746167.db2.gz IIWXMIHIQQIFKU-HNNXBMFYSA-N 1 1 393.285 2.395 20 0 GEADMO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)N1CCCS1(=O)=O ZINC000500782860 532735810 /nfs/dbraw/zinc/73/58/10/532735810.db2.gz WWHCTXQGLAUABH-MRXNPFEDSA-N 1 1 387.933 2.400 20 0 GEADMO Cc1c(Br)cncc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614490876 532737514 /nfs/dbraw/zinc/73/75/14/532737514.db2.gz MELVSIMWVSHPAY-AWEZNQCLSA-N 1 1 382.302 2.337 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502734 532737606 /nfs/dbraw/zinc/73/76/06/532737606.db2.gz MBKXQBCRUCPGDC-GFCCVEGCSA-N 1 1 377.286 2.050 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000540359030 532738105 /nfs/dbraw/zinc/73/81/05/532738105.db2.gz GPDUBLWUKRWYHU-WCQYABFASA-N 1 1 378.416 2.224 20 0 GEADMO O=C(CCc1ccc(Br)cc1F)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614505792 532738363 /nfs/dbraw/zinc/73/83/63/532738363.db2.gz AUAHYONMFGPPLG-HNNXBMFYSA-N 1 1 384.293 2.027 20 0 GEADMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000578682645 532738451 /nfs/dbraw/zinc/73/84/51/532738451.db2.gz QOUAATMONPMANV-KRWDZBQOSA-N 1 1 386.323 2.206 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(I)c(O)c1 ZINC000300416251 532738581 /nfs/dbraw/zinc/73/85/81/532738581.db2.gz HUQQWNSGRXZIPY-NEPJUHHUSA-N 1 1 386.233 2.353 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc2c(cncc2Br)s1 ZINC000614513356 532739620 /nfs/dbraw/zinc/73/96/20/532739620.db2.gz FZEVAPVGBOAUHU-NSHDSACASA-N 1 1 395.326 2.179 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301113380 532740351 /nfs/dbraw/zinc/74/03/51/532740351.db2.gz NVPOWXJZWYQPRC-ZDUSSCGKSA-N 1 1 376.810 2.497 20 0 GEADMO COc1ccc(Br)c(CS(=O)(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000410422909 532741348 /nfs/dbraw/zinc/74/13/48/532741348.db2.gz ZFUNKQAEBNPHTJ-UHFFFAOYSA-N 1 1 389.315 2.068 20 0 GEADMO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000583033009 532763212 /nfs/dbraw/zinc/76/32/12/532763212.db2.gz BDLNEEZGDQMFSI-BLLLJJGKSA-N 1 1 385.302 2.290 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000581343299 532754728 /nfs/dbraw/zinc/75/47/28/532754728.db2.gz KTXBAODRKVXPLY-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000541553269 532755855 /nfs/dbraw/zinc/75/58/55/532755855.db2.gz BEHGSGUXPQBMQM-LLVKDONJSA-N 1 1 376.272 2.235 20 0 GEADMO COc1cc(Br)ccc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620484247 532763461 /nfs/dbraw/zinc/76/34/61/532763461.db2.gz JROAUKUFWKGOBD-CQSZACIVSA-N 1 1 383.286 2.129 20 0 GEADMO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618669100 532757737 /nfs/dbraw/zinc/75/77/37/532757737.db2.gz FSGQYZZXFYVKBK-JTQLQIEISA-N 1 1 391.946 2.186 20 0 GEADMO C[C@@](O)(CNc1ccnc2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301769642 532759048 /nfs/dbraw/zinc/75/90/48/532759048.db2.gz OVBPFTSKDNGGBS-QGZVFWFLSA-N 1 1 380.286 2.492 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1[O-] ZINC000581920619 532759506 /nfs/dbraw/zinc/75/95/06/532759506.db2.gz LWYDSORWANEVLO-GFCCVEGCSA-N 1 1 383.286 2.480 20 0 GEADMO CN1CCN(CCC[N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000411426228 532760395 /nfs/dbraw/zinc/76/03/95/532760395.db2.gz MZVXPUNVUSQYBU-UHFFFAOYSA-N 1 1 397.361 2.347 20 0 GEADMO CN1CCN(CCC[N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000411426228 532760401 /nfs/dbraw/zinc/76/04/01/532760401.db2.gz MZVXPUNVUSQYBU-UHFFFAOYSA-N 1 1 397.361 2.347 20 0 GEADMO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620477788 532763399 /nfs/dbraw/zinc/76/33/99/532763399.db2.gz NWSOHMZTTMKJGE-CYBMUJFWSA-N 1 1 383.279 2.312 20 0 GEADMO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cscc1Br)c1cccs1 ZINC000286458919 532748419 /nfs/dbraw/zinc/74/84/19/532748419.db2.gz KFEJNPIRTSFHSK-JTQLQIEISA-N 1 1 396.353 2.497 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000505910877 532750546 /nfs/dbraw/zinc/75/05/46/532750546.db2.gz DTQSVRGQWXXWFH-ZIAGYGMSSA-N 1 1 385.555 2.122 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000444725668 532750593 /nfs/dbraw/zinc/75/05/93/532750593.db2.gz HFMBXJCRPHUTQN-LOWVWBTDSA-N 1 1 376.341 2.423 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000444725668 532750598 /nfs/dbraw/zinc/75/05/98/532750598.db2.gz HFMBXJCRPHUTQN-LOWVWBTDSA-N 1 1 376.341 2.423 20 0 GEADMO O=S(=O)([C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1)N1CCOCC1 ZINC000541326294 532751610 /nfs/dbraw/zinc/75/16/10/532751610.db2.gz ACCYLRIRDOXACG-AEFFLSMTSA-N 1 1 384.929 2.454 20 0 GEADMO O=S(=O)([C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1)N1CCOCC1 ZINC000541326294 532751613 /nfs/dbraw/zinc/75/16/13/532751613.db2.gz ACCYLRIRDOXACG-AEFFLSMTSA-N 1 1 384.929 2.454 20 0 GEADMO C[NH+](C)C1CN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000541311377 532751748 /nfs/dbraw/zinc/75/17/48/532751748.db2.gz KAMWNPQIWGHMEB-UHFFFAOYSA-N 1 1 387.221 2.402 20 0 GEADMO C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1 ZINC000286508540 532751807 /nfs/dbraw/zinc/75/18/07/532751807.db2.gz OBHWOVHNRDDNFP-MKBNYLNASA-N 1 1 394.313 2.225 20 0 GEADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000512201604 532777138 /nfs/dbraw/zinc/77/71/38/532777138.db2.gz ZCTIIHMIYBQZMR-NSHDSACASA-N 1 1 376.404 2.286 20 0 GEADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000512201604 532777141 /nfs/dbraw/zinc/77/71/41/532777141.db2.gz ZCTIIHMIYBQZMR-NSHDSACASA-N 1 1 376.404 2.286 20 0 GEADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000512273294 532777739 /nfs/dbraw/zinc/77/77/39/532777739.db2.gz ZJDHHBRXNKHJQM-SNVBAGLBSA-N 1 1 380.297 2.075 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000512270494 532778016 /nfs/dbraw/zinc/77/80/16/532778016.db2.gz MMYCXHHAGRQXAM-GUYCJALGSA-N 1 1 386.323 2.435 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CCCSCC1 ZINC000287004887 532778526 /nfs/dbraw/zinc/77/85/26/532778526.db2.gz IWXRGRUYFOMIEV-HNNXBMFYSA-N 1 1 381.567 2.042 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451405471 532764473 /nfs/dbraw/zinc/76/44/73/532764473.db2.gz IGIKKARLHXCOFY-UHFFFAOYSA-N 1 1 391.940 2.267 20 0 GEADMO Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1Br ZINC000302055802 532765978 /nfs/dbraw/zinc/76/59/78/532765978.db2.gz APHJYWAZFLPHRI-UHFFFAOYSA-N 1 1 377.290 2.335 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc(F)c1Br ZINC000411557542 532767066 /nfs/dbraw/zinc/76/70/66/532767066.db2.gz CWNWTXRMSZXEQK-PHIMTYICSA-N 1 1 386.265 2.386 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc(F)c1Br ZINC000411557542 532767073 /nfs/dbraw/zinc/76/70/73/532767073.db2.gz CWNWTXRMSZXEQK-PHIMTYICSA-N 1 1 386.265 2.386 20 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CC[N@@H+](CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000458200820 532792408 /nfs/dbraw/zinc/79/24/08/532792408.db2.gz UDERVEWSMNYORY-CVEARBPZSA-N 1 1 397.317 2.458 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000412440825 532792388 /nfs/dbraw/zinc/79/23/88/532792388.db2.gz FCLUEOMNDSAKLI-UHFFFAOYSA-N 1 1 375.296 2.342 20 0 GEADMO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000458195716 532792688 /nfs/dbraw/zinc/79/26/88/532792688.db2.gz CWASHXUDWVQDGU-UHFFFAOYSA-N 1 1 380.535 2.497 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000458738964 532794717 /nfs/dbraw/zinc/79/47/17/532794717.db2.gz QOHBFDCKSLVIRU-VBNZEHGJSA-N 1 1 382.302 2.013 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000458738964 532794719 /nfs/dbraw/zinc/79/47/19/532794719.db2.gz QOHBFDCKSLVIRU-VBNZEHGJSA-N 1 1 382.302 2.013 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549618456 532795997 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C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271617067 532810346 /nfs/dbraw/zinc/81/03/46/532810346.db2.gz BIUVLEIXAFZVBM-ZBEGNZNMSA-N 1 1 399.310 2.481 20 0 GEADMO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271617065 532810372 /nfs/dbraw/zinc/81/03/72/532810372.db2.gz BIUVLEIXAFZVBM-MEDUHNTESA-N 1 1 399.310 2.481 20 0 GEADMO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271617061 532810386 /nfs/dbraw/zinc/81/03/86/532810386.db2.gz BIUVLEIXAFZVBM-BDJLRTHQSA-N 1 1 399.310 2.481 20 0 GEADMO CN(CCC(N)=O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000287822222 532810509 /nfs/dbraw/zinc/81/05/09/532810509.db2.gz BQZVGNMMIPKFGG-UHFFFAOYSA-N 1 1 387.311 2.475 20 0 GEADMO COCC1(O)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000270398419 532797829 /nfs/dbraw/zinc/79/78/29/532797829.db2.gz UWOWNMWNVLCDTF-UHFFFAOYSA-N 1 1 382.258 2.472 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(F)cc1Br ZINC000287495831 532797896 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C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)CC1CCS(=O)(=O)CC1 ZINC000270537961 532799660 /nfs/dbraw/zinc/79/96/60/532799660.db2.gz WQXYFADAJUQGTN-UHFFFAOYSA-N 1 1 377.409 2.273 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)sc1Br ZINC000328867146 532799702 /nfs/dbraw/zinc/79/97/02/532799702.db2.gz WYCDKXXGHPUGFS-ZDUSSCGKSA-N 1 1 394.360 2.320 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000551595596 532801356 /nfs/dbraw/zinc/80/13/56/532801356.db2.gz FASMUCKVMAUPIQ-UHFFFAOYSA-N 1 1 386.949 2.234 20 0 GEADMO O=S(=O)(c1ccc(Br)cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330139179 532814906 /nfs/dbraw/zinc/81/49/06/532814906.db2.gz IRXGVESZKHZRKV-UHFFFAOYSA-N 1 1 388.331 2.483 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000330159869 532815183 /nfs/dbraw/zinc/81/51/83/532815183.db2.gz RIIVRJJOFQMNKB-FZMZJTMJSA-N 1 1 377.432 2.273 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000272387092 532815312 /nfs/dbraw/zinc/81/53/12/532815312.db2.gz 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ZINC000414397628 532824564 /nfs/dbraw/zinc/82/45/64/532824564.db2.gz UNYYTYXXYQDNPE-UHFFFAOYSA-N 1 1 385.892 2.478 20 0 GEADMO CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@H+]1C[C@@H](C)O ZINC000330685571 532825497 /nfs/dbraw/zinc/82/54/97/532825497.db2.gz LLURORMLXDDCLB-OCCSQVGLSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@H]1CCN(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000330943145 532830091 /nfs/dbraw/zinc/83/00/91/532830091.db2.gz FDNXHZQFTGXRLY-WFASDCNBSA-N 1 1 379.448 2.484 20 0 GEADMO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000414476111 532830447 /nfs/dbraw/zinc/83/04/47/532830447.db2.gz ZIJUXQKDTHMTOJ-NSHDSACASA-N 1 1 387.889 2.477 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414559395 532831591 /nfs/dbraw/zinc/83/15/91/532831591.db2.gz OXYPCQKWVULFFT-PBHICJAKSA-N 1 1 380.286 2.118 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000331013250 532832126 /nfs/dbraw/zinc/83/21/26/532832126.db2.gz FQGSPVMTZZWEPF-GFCCVEGCSA-N 1 1 391.331 2.468 20 0 GEADMO CCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000331010733 532832231 /nfs/dbraw/zinc/83/22/31/532832231.db2.gz XRJGLAJHNBIMJT-QWRGUYRKSA-N 1 1 387.322 2.352 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414560576 532832594 /nfs/dbraw/zinc/83/25/94/532832594.db2.gz QYHWCVSDDNLPBG-KDOFPFPSSA-N 1 1 394.313 2.427 20 0 GEADMO C[NH2+]Cc1noc(-c2cc(OC)c(OC)cc2I)n1 ZINC000414498730 532831132 /nfs/dbraw/zinc/83/11/32/532831132.db2.gz IXWJJAWKBYJCJB-UHFFFAOYSA-N 1 1 375.166 2.078 20 0 GEADMO Cc1cc(Br)c2c(c1)CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414760063 532834762 /nfs/dbraw/zinc/83/47/62/532834762.db2.gz PVXOOUBGMUUKPA-AWEZNQCLSA-N 1 1 380.330 2.313 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=O)C(=O)Nc1cnns1)c1ccc(Cl)cc1 ZINC000288613352 532833069 /nfs/dbraw/zinc/83/30/69/532833069.db2.gz RCSYTPKFPIWHKA-CYBMUJFWSA-N 1 1 381.889 2.329 20 0 GEADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000288656776 532833858 /nfs/dbraw/zinc/83/38/58/532833858.db2.gz ALRBXTNMSODEHW-LBPRGKRZSA-N 1 1 385.306 2.328 20 0 GEADMO CN1CCNC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414977901 532836775 /nfs/dbraw/zinc/83/67/75/532836775.db2.gz QXICMIJFDSGKRW-LLVKDONJSA-N 1 1 382.224 2.341 20 0 GEADMO COc1cc(Br)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971391 532836835 /nfs/dbraw/zinc/83/68/35/532836835.db2.gz IKCUCDOEAUUPDG-CQSZACIVSA-N 1 1 396.251 2.383 20 0 GEADMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000273953452 532838348 /nfs/dbraw/zinc/83/83/48/532838348.db2.gz FBSNDGXYSPLWLC-ZDUSSCGKSA-N 1 1 376.766 2.354 20 0 GEADMO COc1ccccc1COC[C@H](O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288831926 532839547 /nfs/dbraw/zinc/83/95/47/532839547.db2.gz NYKOGYNJWIODPL-MRXNPFEDSA-N 1 1 398.301 2.164 20 0 GEADMO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1Cl ZINC000288860127 532840267 /nfs/dbraw/zinc/84/02/67/532840267.db2.gz MZLHYQGBLOQLKH-UHFFFAOYSA-N 1 1 397.324 2.345 20 0 GEADMO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1Cl ZINC000288860127 532840273 /nfs/dbraw/zinc/84/02/73/532840273.db2.gz MZLHYQGBLOQLKH-UHFFFAOYSA-N 1 1 397.324 2.345 20 0 GEADMO Cc1cc(S(=O)(=O)N2CCN(CCCn3cc[nH+]c3C)CC2)c(C)s1 ZINC000331601520 532842021 /nfs/dbraw/zinc/84/20/21/532842021.db2.gz DOIMXIOKZTYUIK-UHFFFAOYSA-N 1 1 382.555 2.266 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000331708652 532843232 /nfs/dbraw/zinc/84/32/32/532843232.db2.gz BCAFYTQNEYIOKX-UONOGXRCSA-N 1 1 394.313 2.403 20 0 GEADMO Cc1cc(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)sc1Br ZINC000331773006 532844605 /nfs/dbraw/zinc/84/46/05/532844605.db2.gz FWIVPAXUXCSNMB-JTQLQIEISA-N 1 1 384.303 2.347 20 0 GEADMO Cc1cc(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)sc1Br ZINC000331773006 532844607 /nfs/dbraw/zinc/84/46/07/532844607.db2.gz FWIVPAXUXCSNMB-JTQLQIEISA-N 1 1 384.303 2.347 20 0 GEADMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cscc2Br)CC1 ZINC000289044653 532845251 /nfs/dbraw/zinc/84/52/51/532845251.db2.gz AYEVFZDETMDESR-UHFFFAOYSA-N 1 1 389.315 2.402 20 0 GEADMO COCCOCC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000289039466 532845420 /nfs/dbraw/zinc/84/54/20/532845420.db2.gz PNGMKTFHJGUJHZ-UHFFFAOYSA-N 1 1 379.320 2.064 20 0 GEADMO COCCOCC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000289039466 532845422 /nfs/dbraw/zinc/84/54/22/532845422.db2.gz PNGMKTFHJGUJHZ-UHFFFAOYSA-N 1 1 379.320 2.064 20 0 GEADMO O=C(NCCCO)C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000274238128 532845501 /nfs/dbraw/zinc/84/55/01/532845501.db2.gz LXQDHRBEJNDIBM-UHFFFAOYSA-N 1 1 397.313 2.095 20 0 GEADMO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@H+]1CCC[C@H](C)C1 ZINC000331865670 532845894 /nfs/dbraw/zinc/84/58/94/532845894.db2.gz BXWQWDCUFSJOPL-RYUDHWBXSA-N 1 1 380.290 2.342 20 0 GEADMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000289097843 532847263 /nfs/dbraw/zinc/84/72/63/532847263.db2.gz FPSMLSPMXIVULM-UHFFFAOYSA-N 1 1 375.803 2.087 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1Br ZINC000274394125 532849216 /nfs/dbraw/zinc/84/92/16/532849216.db2.gz ICQBJGDWIKSQRY-OCCSQVGLSA-N 1 1 380.286 2.439 20 0 GEADMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)s1 ZINC000332358549 532852574 /nfs/dbraw/zinc/85/25/74/532852574.db2.gz SSYDTVVALYLFLH-VIFPVBQESA-N 1 1 375.292 2.334 20 0 GEADMO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000332371495 532853264 /nfs/dbraw/zinc/85/32/64/532853264.db2.gz SHYOMFAPNIOQPJ-MRXNPFEDSA-N 1 1 386.265 2.164 20 0 GEADMO Brc1cnc(C[NH2+]CCN2CCCOCC2)c(Br)c1 ZINC000289420870 532853870 /nfs/dbraw/zinc/85/38/70/532853870.db2.gz JDWHYETXDOXRIB-UHFFFAOYSA-N 1 1 393.123 2.419 20 0 GEADMO Brc1cnc(CNCC[N@@H+]2CCCOCC2)c(Br)c1 ZINC000289420870 532853872 /nfs/dbraw/zinc/85/38/72/532853872.db2.gz JDWHYETXDOXRIB-UHFFFAOYSA-N 1 1 393.123 2.419 20 0 GEADMO Brc1cnc(CNCC[N@H+]2CCCOCC2)c(Br)c1 ZINC000289420870 532853874 /nfs/dbraw/zinc/85/38/74/532853874.db2.gz JDWHYETXDOXRIB-UHFFFAOYSA-N 1 1 393.123 2.419 20 0 GEADMO CN(C)c1nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000332405047 532854479 /nfs/dbraw/zinc/85/44/79/532854479.db2.gz WZIGKHVIRKOJMR-UHFFFAOYSA-N 1 1 390.285 2.268 20 0 GEADMO O=c1nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)[nH][nH]1 ZINC000289440817 532855420 /nfs/dbraw/zinc/85/54/20/532855420.db2.gz OJZPVTPOUCPARA-JQWIXIFHSA-N 1 1 387.267 2.024 20 0 GEADMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1Br ZINC000332497962 532856377 /nfs/dbraw/zinc/85/63/77/532856377.db2.gz QIBIPIIEYCMRBR-CHWSQXEVSA-N 1 1 380.286 2.473 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1Br ZINC000332497962 532856379 /nfs/dbraw/zinc/85/63/79/532856379.db2.gz QIBIPIIEYCMRBR-CHWSQXEVSA-N 1 1 380.286 2.473 20 0 GEADMO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332513129 532857031 /nfs/dbraw/zinc/85/70/31/532857031.db2.gz VSCDBLIZYFXZML-LLVKDONJSA-N 1 1 384.249 2.223 20 0 GEADMO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332513129 532857034 /nfs/dbraw/zinc/85/70/34/532857034.db2.gz VSCDBLIZYFXZML-LLVKDONJSA-N 1 1 384.249 2.223 20 0 GEADMO CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000274876720 532858255 /nfs/dbraw/zinc/85/82/55/532858255.db2.gz YPFYIIHTVHJVSQ-SJLPKXTDSA-N 1 1 382.551 2.480 20 0 GEADMO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000332673690 532860021 /nfs/dbraw/zinc/86/00/21/532860021.db2.gz JIOJZVUSSLHCHP-LBPRGKRZSA-N 1 1 384.274 2.487 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000332682833 532860379 /nfs/dbraw/zinc/86/03/79/532860379.db2.gz PJYBLICLROWKDP-VNHYZAJKSA-N 1 1 394.313 2.401 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000332905369 532862050 /nfs/dbraw/zinc/86/20/50/532862050.db2.gz BNTACYBJTGTGCY-IINYFYTJSA-N 1 1 381.270 2.433 20 0 GEADMO C[N@@H+](CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCSC1 ZINC000332832563 532861848 /nfs/dbraw/zinc/86/18/48/532861848.db2.gz SYSCYPFDCXLUIP-WFASDCNBSA-N 1 1 385.892 2.138 20 0 GEADMO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289771156 532864520 /nfs/dbraw/zinc/86/45/20/532864520.db2.gz IUKCSNUVMCNGNA-BLLLJJGKSA-N 1 1 397.317 2.277 20 0 GEADMO C[C@H]1CN(C(=O)Cc2cc(Cl)c(Br)cc2F)CC[N@@H+]1CCO ZINC000416206086 532867060 /nfs/dbraw/zinc/86/70/60/532867060.db2.gz ADZZTSFASBVLRF-JTQLQIEISA-N 1 1 393.684 2.309 20 0 GEADMO C[C@H]1CN(C(=O)Cc2cc(Cl)c(Br)cc2F)CC[N@H+]1CCO ZINC000416206086 532867065 /nfs/dbraw/zinc/86/70/65/532867065.db2.gz ADZZTSFASBVLRF-JTQLQIEISA-N 1 1 393.684 2.309 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000416304954 532870203 /nfs/dbraw/zinc/87/02/03/532870203.db2.gz ZUCJHDUNZFGYTK-RYUDHWBXSA-N 1 1 385.295 2.097 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275243498 532869926 /nfs/dbraw/zinc/86/99/26/532869926.db2.gz FUUIHDLXZPMFJZ-LBPRGKRZSA-N 1 1 386.880 2.204 20 0 GEADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000416316088 532870471 /nfs/dbraw/zinc/87/04/71/532870471.db2.gz VSLWDCGKIRZJHU-MGBSGCIJSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000416316088 532870473 /nfs/dbraw/zinc/87/04/73/532870473.db2.gz VSLWDCGKIRZJHU-MGBSGCIJSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000416304953 532870589 /nfs/dbraw/zinc/87/05/89/532870589.db2.gz ZUCJHDUNZFGYTK-NWDGAFQWSA-N 1 1 385.295 2.097 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C(F)F ZINC000416369569 532872655 /nfs/dbraw/zinc/87/26/55/532872655.db2.gz JKRTYBMLYOBOKT-SNVBAGLBSA-N 1 1 378.470 2.309 20 0 GEADMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000290109322 532872864 /nfs/dbraw/zinc/87/28/64/532872864.db2.gz SRDOYYFXVRHDQN-ZDUSSCGKSA-N 1 1 378.274 2.460 20 0 GEADMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416382659 532873864 /nfs/dbraw/zinc/87/38/64/532873864.db2.gz AYNZHRUSNBREJC-UHFFFAOYSA-N 1 1 375.922 2.018 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000416381540 532874156 /nfs/dbraw/zinc/87/41/56/532874156.db2.gz AXPPUFHLIVPSPX-SNVBAGLBSA-N 1 1 377.279 2.412 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1Br ZINC000416381540 532874159 /nfs/dbraw/zinc/87/41/59/532874159.db2.gz AXPPUFHLIVPSPX-SNVBAGLBSA-N 1 1 377.279 2.412 20 0 GEADMO COCc1cc(Cl)cc(S(=O)(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000290229440 532875815 /nfs/dbraw/zinc/87/58/15/532875815.db2.gz XSBBCAIWLWEFPY-CQSZACIVSA-N 1 1 390.933 2.266 20 0 GEADMO CSc1nnc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000275434136 532876339 /nfs/dbraw/zinc/87/63/39/532876339.db2.gz PAYJZRWCAFDBJX-UHFFFAOYSA-N 1 1 377.539 2.330 20 0 GEADMO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000416407409 532876688 /nfs/dbraw/zinc/87/66/88/532876688.db2.gz KBTKRAFRYGXQFQ-FZMZJTMJSA-N 1 1 387.933 2.111 20 0 GEADMO COC(=O)CCn1nc(C)c(C[N@@H+](C)CCn2cc(Br)cn2)c1C ZINC000290265731 532876415 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C[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000368924828 532935663 /nfs/dbraw/zinc/93/56/63/532935663.db2.gz NQRIXNGTSICQBJ-HIFRSBDPSA-N 1 1 383.286 2.188 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277305 532937825 /nfs/dbraw/zinc/93/78/25/532937825.db2.gz LCSNIDTYTPYOOY-MRXNPFEDSA-N 1 1 380.330 2.276 20 0 GEADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277305 532937827 /nfs/dbraw/zinc/93/78/27/532937827.db2.gz LCSNIDTYTPYOOY-MRXNPFEDSA-N 1 1 380.330 2.276 20 0 GEADMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000368972891 532935889 /nfs/dbraw/zinc/93/58/89/532935889.db2.gz IDYBHSOQOJPIKW-PJODQICGSA-N 1 1 380.286 2.364 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000369541969 532939995 /nfs/dbraw/zinc/93/99/95/532939995.db2.gz XFFBNINZJKQKLT-NHYWBVRUSA-N 1 1 384.479 2.099 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)[C@H]1c1cccs1 ZINC000369573871 532940052 /nfs/dbraw/zinc/94/00/52/532940052.db2.gz PZUZMMZNUAEBCN-IHHFWDAISA-N 1 1 379.551 2.311 20 0 GEADMO Cn1cnnc1SCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369345417 532938622 /nfs/dbraw/zinc/93/86/22/532938622.db2.gz KWOUQRIUOKSJMO-CJNGLKHVSA-N 1 1 379.917 2.370 20 0 GEADMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000369329305 532938708 /nfs/dbraw/zinc/93/87/08/532938708.db2.gz GHUFTRZZFBVYGT-LSDHHAIUSA-N 1 1 390.281 2.306 20 0 GEADMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000369349365 532938736 /nfs/dbraw/zinc/93/87/36/532938736.db2.gz LZCJFHCOUMWFFC-JTQLQIEISA-N 1 1 376.262 2.243 20 0 GEADMO C[C@@H]1CC[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000369351505 532938975 /nfs/dbraw/zinc/93/89/75/532938975.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000369351505 532938976 /nfs/dbraw/zinc/93/89/76/532938976.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@@](=O)CCN1CCCCCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369351505 532938978 /nfs/dbraw/zinc/93/89/78/532938978.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@@](=O)CCN1CCCCCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000369351505 532938979 /nfs/dbraw/zinc/93/89/79/532938979.db2.gz DIUOMGWYSHWPSB-IMWWXNSKSA-N 1 1 376.632 2.233 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1-n1cc(Br)cn1 ZINC000294410684 532939043 /nfs/dbraw/zinc/93/90/43/532939043.db2.gz IZBQNWVEQWPZHT-CABCVRRESA-N 1 1 390.285 2.386 20 0 GEADMO NC(=O)[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(Br)cc1 ZINC000369405322 532939189 /nfs/dbraw/zinc/93/91/89/532939189.db2.gz ZJUAZAHKXNABSC-INIZCTEOSA-N 1 1 386.253 2.346 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000370154615 532942435 /nfs/dbraw/zinc/94/24/35/532942435.db2.gz AKZJZBKJTNPHMH-ZDUSSCGKSA-N 1 1 384.293 2.440 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cccnc1Br ZINC000370473333 532943654 /nfs/dbraw/zinc/94/36/54/532943654.db2.gz RUXFZGBENLETAQ-NFAWXSAZSA-N 1 1 382.302 2.463 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)C[C@H]21 ZINC000369848327 532941088 /nfs/dbraw/zinc/94/10/88/532941088.db2.gz SUUFSWVERLAECQ-IAQYHMDHSA-N 1 1 386.905 2.269 20 0 GEADMO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000370750786 532945234 /nfs/dbraw/zinc/94/52/34/532945234.db2.gz SUBWSCNPBOQXNC-CQSZACIVSA-N 1 1 382.302 2.103 20 0 GEADMO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370743856 532945250 /nfs/dbraw/zinc/94/52/50/532945250.db2.gz YLMCBZZRYMEAKY-NWDGAFQWSA-N 1 1 384.249 2.270 20 0 GEADMO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000370608914 532944453 /nfs/dbraw/zinc/94/44/53/532944453.db2.gz RSPBNUGFBCJKPZ-OAHLLOKOSA-N 1 1 383.286 2.142 20 0 GEADMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000370608914 532944454 /nfs/dbraw/zinc/94/44/54/532944454.db2.gz RSPBNUGFBCJKPZ-OAHLLOKOSA-N 1 1 383.286 2.142 20 0 GEADMO Brc1cccc(-c2noc(CN3CC[NH+]([C@H]4CCOC4)CC3)n2)c1 ZINC000371367752 532947650 /nfs/dbraw/zinc/94/76/50/532947650.db2.gz BFZXTOLHZQPRNU-HNNXBMFYSA-N 1 1 393.285 2.406 20 0 GEADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000371407504 532948105 /nfs/dbraw/zinc/94/81/05/532948105.db2.gz QQLNIOUUWVTJQT-LBPRGKRZSA-N 1 1 395.301 2.258 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000371456074 532948145 /nfs/dbraw/zinc/94/81/45/532948145.db2.gz FEMUYJJYRAGYCE-HIFRSBDPSA-N 1 1 381.318 2.271 20 0 GEADMO Cc1ccc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000371057174 532946830 /nfs/dbraw/zinc/94/68/30/532946830.db2.gz WHQUGEGEKYNKMF-HNNXBMFYSA-N 1 1 395.345 2.252 20 0 GEADMO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000371729184 532949583 /nfs/dbraw/zinc/94/95/83/532949583.db2.gz YUBJLOXBLCRJRT-SNVBAGLBSA-N 1 1 397.239 2.425 20 0 GEADMO C[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000186619941 570306274 /nfs/dbraw/zinc/30/62/74/570306274.db2.gz AEGCJYIKJKAHTJ-KRWDZBQOSA-N 1 1 391.487 2.045 20 0 GEADMO C[NH+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000186619941 570306277 /nfs/dbraw/zinc/30/62/77/570306277.db2.gz AEGCJYIKJKAHTJ-KRWDZBQOSA-N 1 1 391.487 2.045 20 0 GEADMO C[NH+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000186619941 570306280 /nfs/dbraw/zinc/30/62/80/570306280.db2.gz AEGCJYIKJKAHTJ-KRWDZBQOSA-N 1 1 391.487 2.045 20 0 GEADMO C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000186661245 570310558 /nfs/dbraw/zinc/31/05/58/570310558.db2.gz QUHIJSATSKGNNF-WOJBJXKFSA-N 1 1 387.524 2.296 20 0 GEADMO C[NH+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000186661245 570310561 /nfs/dbraw/zinc/31/05/61/570310561.db2.gz QUHIJSATSKGNNF-WOJBJXKFSA-N 1 1 387.524 2.296 20 0 GEADMO C[NH+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186661245 570310563 /nfs/dbraw/zinc/31/05/63/570310563.db2.gz QUHIJSATSKGNNF-WOJBJXKFSA-N 1 1 387.524 2.296 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000738388005 598873404 /nfs/dbraw/zinc/87/34/04/598873404.db2.gz RESZNXKJXAFUNV-LJQANCHMSA-N 1 1 397.454 2.453 20 0 GEADMO O=C(CC[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838171 598897891 /nfs/dbraw/zinc/89/78/91/598897891.db2.gz JTCKGZSSMYTTEW-IBGZPJMESA-N 1 1 392.463 2.177 20 0 GEADMO O=C(C[N@H+](CCO)[C@@H]1CCCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737866288 598897976 /nfs/dbraw/zinc/89/79/76/598897976.db2.gz YNUPOABHLHTNRM-LJQANCHMSA-N 1 1 392.463 2.177 20 0 GEADMO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736471900 598915526 /nfs/dbraw/zinc/91/55/26/598915526.db2.gz XUWCTCVCDPGCPY-UHFFFAOYSA-N 1 1 399.543 2.068 20 0 GEADMO CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000736731355 598923731 /nfs/dbraw/zinc/92/37/31/598923731.db2.gz ANSYYCYNSKZKKQ-IBGZPJMESA-N 1 1 392.463 2.121 20 0 GEADMO CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000736731355 598923734 /nfs/dbraw/zinc/92/37/34/598923734.db2.gz ANSYYCYNSKZKKQ-IBGZPJMESA-N 1 1 392.463 2.121 20 0 GEADMO O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000737925050 598928412 /nfs/dbraw/zinc/92/84/12/598928412.db2.gz MYLGGZVMRVKIIM-SFHVURJKSA-N 1 1 392.463 2.026 20 0 GEADMO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000736201505 598944100 /nfs/dbraw/zinc/94/41/00/598944100.db2.gz GHABAVKDYXZJQV-AWEZNQCLSA-N 1 1 376.468 2.029 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCOC1 ZINC000736535051 598945582 /nfs/dbraw/zinc/94/55/82/598945582.db2.gz PYFRGLODYQHEKV-LBPRGKRZSA-N 1 1 378.864 2.207 20 0 GEADMO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737425866 598947514 /nfs/dbraw/zinc/94/75/14/598947514.db2.gz FMNFNOQJYLAUNK-HXUWFJFHSA-N 1 1 390.491 2.498 20 0 GEADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737100023 598961454 /nfs/dbraw/zinc/96/14/54/598961454.db2.gz SVGQQMHVCIWQIE-PXAZEXFGSA-N 1 1 396.426 2.471 20 0 GEADMO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738115497 598963520 /nfs/dbraw/zinc/96/35/20/598963520.db2.gz CPORJXCCGSWUGO-LJQANCHMSA-N 1 1 391.479 2.331 20 0 GEADMO O[C@@H]1CCCC[C@@H]1CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000738387655 598978796 /nfs/dbraw/zinc/97/87/96/598978796.db2.gz BZGDKQOTAUWGKR-MEBBXXQBSA-N 1 1 390.394 2.401 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000737033725 598985638 /nfs/dbraw/zinc/98/56/38/598985638.db2.gz YOABQGDNQPKTIO-INIZCTEOSA-N 1 1 395.467 2.232 20 0 GEADMO COc1ccccc1CC[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000737151249 598986651 /nfs/dbraw/zinc/98/66/51/598986651.db2.gz ZJBZCYAEFRPCNJ-UHFFFAOYSA-N 1 1 383.452 2.437 20 0 GEADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737371321 598986860 /nfs/dbraw/zinc/98/68/60/598986860.db2.gz BPHZDHVIUNCYSK-YJBOKZPZSA-N 1 1 375.436 2.018 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736565086 599007899 /nfs/dbraw/zinc/00/78/99/599007899.db2.gz HKGDUCGVAZXXQV-NWDGAFQWSA-N 1 1 398.920 2.013 20 0 GEADMO NC(=O)[C@H]([NH2+][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729707 599010224 /nfs/dbraw/zinc/01/02/24/599010224.db2.gz BXAKXMQOBXHBPM-HZUKXOBISA-N 1 1 386.818 2.331 20 0 GEADMO C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCCC1 ZINC000736154164 599017824 /nfs/dbraw/zinc/01/78/24/599017824.db2.gz TXKZPXAWILDZLH-KGLIPLIRSA-N 1 1 386.456 2.001 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000736263989 599022036 /nfs/dbraw/zinc/02/20/36/599022036.db2.gz AQOHNYVIRDYMQC-OAHLLOKOSA-N 1 1 391.479 2.424 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736848839 599023991 /nfs/dbraw/zinc/02/39/91/599023991.db2.gz NZPBJMCJDIFFHV-INIZCTEOSA-N 1 1 392.463 2.127 20 0 GEADMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736146644 599047254 /nfs/dbraw/zinc/04/72/54/599047254.db2.gz JNVMNGHLQKQXQG-HNNXBMFYSA-N 1 1 380.452 2.078 20 0 GEADMO CCc1csc([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000736702658 599072008 /nfs/dbraw/zinc/07/20/08/599072008.db2.gz SXKUXJGIVSZOIP-GOEBONIOSA-N 1 1 397.508 2.292 20 0 GEADMO CCc1csc([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000736702658 599072010 /nfs/dbraw/zinc/07/20/10/599072010.db2.gz SXKUXJGIVSZOIP-GOEBONIOSA-N 1 1 397.508 2.292 20 0 GEADMO NC(=O)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737267 599085505 /nfs/dbraw/zinc/08/55/05/599085505.db2.gz QHCDDGIHCAJUCN-SFHVURJKSA-N 1 1 377.452 2.496 20 0 GEADMO CN(C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[C@H]1CCC[N@@H+](C)C1 ZINC000736858522 599091264 /nfs/dbraw/zinc/09/12/64/599091264.db2.gz 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COc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045214 599207881 /nfs/dbraw/zinc/20/78/81/599207881.db2.gz GOJVOAFRCCRDQQ-GOSISDBHSA-N 1 1 395.463 2.411 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291199 599226052 /nfs/dbraw/zinc/22/60/52/599226052.db2.gz FGURWYMZUXBJOX-YOEHRIQHSA-N 1 1 386.525 2.185 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CCCOC(C)(C)C1 ZINC000735569121 599234371 /nfs/dbraw/zinc/23/43/71/599234371.db2.gz FGUUQHVROCZHHP-NSHDSACASA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCCOC(C)(C)C1 ZINC000735569121 599234373 /nfs/dbraw/zinc/23/43/73/599234373.db2.gz FGUUQHVROCZHHP-NSHDSACASA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736292054 599235622 /nfs/dbraw/zinc/23/56/22/599235622.db2.gz HQDMTJQRLJHZFX-OCCSQVGLSA-N 1 1 389.891 2.017 20 0 GEADMO Cc1c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cccc1-c1nn[nH]n1 ZINC000822061602 607296748 /nfs/dbraw/zinc/29/67/48/607296748.db2.gz RIVFPRDNQZFWQB-IBGZPJMESA-N 1 1 391.479 2.102 20 0 GEADMO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736684938 599272076 /nfs/dbraw/zinc/27/20/76/599272076.db2.gz IDSJRSUDGFJSAW-QGZVFWFLSA-N 1 1 380.452 2.475 20 0 GEADMO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736684938 599272079 /nfs/dbraw/zinc/27/20/79/599272079.db2.gz IDSJRSUDGFJSAW-QGZVFWFLSA-N 1 1 380.452 2.475 20 0 GEADMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000735941006 599288169 /nfs/dbraw/zinc/28/81/69/599288169.db2.gz UZPCZAFWLITUFT-MRXNPFEDSA-N 1 1 382.472 2.079 20 0 GEADMO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736248040 598249091 /nfs/dbraw/zinc/24/90/91/598249091.db2.gz IJMYBPGRZUYEEW-IYBDPMFKSA-N 1 1 398.511 2.499 20 0 GEADMO C[N@@H+](CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C1CCCC1 ZINC000736800704 598272912 /nfs/dbraw/zinc/27/29/12/598272912.db2.gz 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CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705070 598367411 /nfs/dbraw/zinc/36/74/11/598367411.db2.gz FAOZTOBYPWDLSQ-OAHLLOKOSA-N 1 1 394.483 2.291 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878100 598373044 /nfs/dbraw/zinc/37/30/44/598373044.db2.gz YNBNWDWBYFGAQB-LJQANCHMSA-N 1 1 390.491 2.438 20 0 GEADMO Cc1[nH+]cn(CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2Cc2ccco2)c1C ZINC000737499078 598383522 /nfs/dbraw/zinc/38/35/22/598383522.db2.gz JMJCCNASDZABAD-UHFFFAOYSA-N 1 1 394.439 2.378 20 0 GEADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737372044 598441421 /nfs/dbraw/zinc/44/14/21/598441421.db2.gz VFBGTNARHQVULZ-YJBOKZPZSA-N 1 1 375.436 2.018 20 0 GEADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738041673 598459475 /nfs/dbraw/zinc/45/94/75/598459475.db2.gz UCQHHKWZIXPGAQ-KRWDZBQOSA-N 1 1 397.870 2.482 20 0 GEADMO CN(CC[N@@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000736793214 598469537 /nfs/dbraw/zinc/46/95/37/598469537.db2.gz UIUPJAKPFFUHCP-UHFFFAOYSA-N 1 1 385.497 2.325 20 0 GEADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736479831 598476216 /nfs/dbraw/zinc/47/62/16/598476216.db2.gz IZVIZDFPJKDSAN-MRXNPFEDSA-N 1 1 383.500 2.273 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000737742769 598502662 /nfs/dbraw/zinc/50/26/62/598502662.db2.gz GVGKACSPFWWPTA-SFHVURJKSA-N 1 1 391.479 2.176 20 0 GEADMO CCCO[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736489616 598507398 /nfs/dbraw/zinc/50/73/98/598507398.db2.gz XRUHRWGQTRSWFF-ZWKOTPCHSA-N 1 1 384.484 2.253 20 0 GEADMO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000735736186 598518992 /nfs/dbraw/zinc/51/89/92/598518992.db2.gz WQPAVBMKWDTSSI-GOSISDBHSA-N 1 1 386.500 2.213 20 0 GEADMO Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737321030 598548798 /nfs/dbraw/zinc/54/87/98/598548798.db2.gz BLZIIBNBDUJBSS-UHFFFAOYSA-N 1 1 390.491 2.370 20 0 GEADMO Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000737270099 598562081 /nfs/dbraw/zinc/56/20/81/598562081.db2.gz ASRVXQXHKYXOHR-INIZCTEOSA-N 1 1 393.455 2.064 20 0 GEADMO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCCC[C@H]1C ZINC000736266410 598578400 /nfs/dbraw/zinc/57/84/00/598578400.db2.gz HLGTUSZHCCCSRM-JTDSTZFVSA-N 1 1 397.527 2.215 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735882487 598595812 /nfs/dbraw/zinc/59/58/12/598595812.db2.gz RMSIZLRICPBUJG-QFBILLFUSA-N 1 1 397.527 2.072 20 0 GEADMO c1cc(-c2noc(-c3ccc(-c4nn[nH]n4)cc3)n2)ccc1C[NH+]1CCOCC1 ZINC000738413243 598611721 /nfs/dbraw/zinc/61/17/21/598611721.db2.gz RFAABNHXFISORU-UHFFFAOYSA-N 1 1 389.419 2.416 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000737833456 598654114 /nfs/dbraw/zinc/65/41/14/598654114.db2.gz SFGQYOABWLLMTJ-ROUUACIJSA-N 1 1 384.484 2.159 20 0 GEADMO C[C@H](CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000736014125 598666393 /nfs/dbraw/zinc/66/63/93/598666393.db2.gz LAXBKFDBMIQKMZ-MRXNPFEDSA-N 1 1 378.480 2.436 20 0 GEADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738048031 598672949 /nfs/dbraw/zinc/67/29/49/598672949.db2.gz CMIASLLAKCRPPW-QGZVFWFLSA-N 1 1 376.464 2.161 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735635999 598683155 /nfs/dbraw/zinc/68/31/55/598683155.db2.gz MBXHLMNNAUPWMU-GFCCVEGCSA-N 1 1 376.436 2.352 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000737833636 598685783 /nfs/dbraw/zinc/68/57/83/598685783.db2.gz ZBLACTRMHXTEBK-IAGOWNOFSA-N 1 1 384.484 2.159 20 0 GEADMO CC(C)[N@H+]1CCCN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735882842 598688064 /nfs/dbraw/zinc/68/80/64/598688064.db2.gz UKQAJJYSMKGVNY-UHFFFAOYSA-N 1 1 386.500 2.359 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736020608 598704587 /nfs/dbraw/zinc/70/45/87/598704587.db2.gz RASKMPJIUIGAHM-AWEZNQCLSA-N 1 1 390.488 2.481 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737194116 598707984 /nfs/dbraw/zinc/70/79/84/598707984.db2.gz BURZPVIESKGOOX-QGZVFWFLSA-N 1 1 378.480 2.452 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCN(C2CC2)C1 ZINC000736793118 598708180 /nfs/dbraw/zinc/70/81/80/598708180.db2.gz RZSLBLQEQMOHMB-AWEZNQCLSA-N 1 1 389.891 2.017 20 0 GEADMO CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736793118 598708182 /nfs/dbraw/zinc/70/81/82/598708182.db2.gz RZSLBLQEQMOHMB-AWEZNQCLSA-N 1 1 389.891 2.017 20 0 GEADMO CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000736793118 598708185 /nfs/dbraw/zinc/70/81/85/598708185.db2.gz RZSLBLQEQMOHMB-AWEZNQCLSA-N 1 1 389.891 2.017 20 0 GEADMO CCCCCC[N@@H+](C)CC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 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399.329 2.438 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000456204765 650333995 /nfs/dbraw/zinc/33/39/95/650333995.db2.gz ANZUGONAOUDLBG-QLFBSQMISA-N 1 1 399.329 2.438 20 0 GEADMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(=O)N(C)C ZINC000456373919 650338377 /nfs/dbraw/zinc/33/83/77/650338377.db2.gz PLBYIJYHZRUOQS-LBPRGKRZSA-N 1 1 397.317 2.006 20 0 GEADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456484585 650342788 /nfs/dbraw/zinc/34/27/88/650342788.db2.gz HDVURIRQJCWZOY-CQSZACIVSA-N 1 1 387.318 2.067 20 0 GEADMO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC000456707180 650355835 /nfs/dbraw/zinc/35/58/35/650355835.db2.gz BNSWLWGWLQEQLQ-CYBMUJFWSA-N 1 1 387.318 2.065 20 0 GEADMO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000456709968 650356456 /nfs/dbraw/zinc/35/64/56/650356456.db2.gz GBOFIVQPMMKRCJ-DYVFJYSZSA-N 1 1 399.304 2.482 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733042 650361348 /nfs/dbraw/zinc/36/13/48/650361348.db2.gz VMBCGTZDZVUICH-KWCYVHTRSA-N 1 1 387.293 2.053 20 0 GEADMO O=C(c1cc(I)c[nH]1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457004712 650370418 /nfs/dbraw/zinc/37/04/18/650370418.db2.gz YHIFTAQBRYSJFL-CQSZACIVSA-N 1 1 381.217 2.406 20 0 GEADMO COc1ccc(Cl)cc1CS(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000500356060 650375524 /nfs/dbraw/zinc/37/55/24/650375524.db2.gz BBAWBNJLPJEUOI-ZIAGYGMSSA-N 1 1 390.933 2.267 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000500458535 650377641 /nfs/dbraw/zinc/37/76/41/650377641.db2.gz DHJIKHMLEQDUKP-HNNXBMFYSA-N 1 1 389.924 2.270 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457412666 650377846 /nfs/dbraw/zinc/37/78/46/650377846.db2.gz YVZGXYBWHDKYNH-INIZCTEOSA-N 1 1 397.317 2.413 20 0 GEADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Br)co1 ZINC000457646645 650382350 /nfs/dbraw/zinc/38/23/50/650382350.db2.gz KANMBYSQLWGBPA-OAHLLOKOSA-N 1 1 379.254 2.191 20 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O=S(=O)([C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1)N1CCOCC1 ZINC000502376409 650405767 /nfs/dbraw/zinc/40/57/67/650405767.db2.gz NLPCLMKZDZBHLS-KRWDZBQOSA-N 1 1 388.530 2.044 20 0 GEADMO CC[N@@H+](CCNC(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1)CCC(F)(F)F ZINC000458706098 650408374 /nfs/dbraw/zinc/40/83/74/650408374.db2.gz CLWRVRADJWYCLV-QWRGUYRKSA-N 1 1 379.345 2.215 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)COc3cccc(Br)c3)[C@H]2C1 ZINC000502741243 650410933 /nfs/dbraw/zinc/41/09/33/650410933.db2.gz RHCYKTLDFNRUMC-JKSUJKDBSA-N 1 1 383.286 2.150 20 0 GEADMO COCC[N@@H+]1CCN(C(=O)NCc2nc(C)c(Br)s2)C[C@@H]1C ZINC000458934583 650414936 /nfs/dbraw/zinc/41/49/36/650414936.db2.gz UKPLYCQNCLYHDF-JTQLQIEISA-N 1 1 391.335 2.076 20 0 GEADMO COCC[N@H+]1CCN(C(=O)NCc2nc(C)c(Br)s2)C[C@@H]1C ZINC000458934583 650414938 /nfs/dbraw/zinc/41/49/38/650414938.db2.gz UKPLYCQNCLYHDF-JTQLQIEISA-N 1 1 391.335 2.076 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000458964972 650415993 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O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000459217539 650421588 /nfs/dbraw/zinc/42/15/88/650421588.db2.gz PXQXBTLIOVFTFK-NSHDSACASA-N 1 1 378.274 2.315 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000459217539 650421589 /nfs/dbraw/zinc/42/15/89/650421589.db2.gz PXQXBTLIOVFTFK-NSHDSACASA-N 1 1 378.274 2.315 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000459217539 650421590 /nfs/dbraw/zinc/42/15/90/650421590.db2.gz PXQXBTLIOVFTFK-NSHDSACASA-N 1 1 378.274 2.315 20 0 GEADMO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1)CCC(F)(F)F ZINC000503900616 650424154 /nfs/dbraw/zinc/42/41/54/650424154.db2.gz HMRMRQBPEMFYDR-CHWSQXEVSA-N 1 1 383.480 2.167 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1)CCC(F)(F)F ZINC000503900616 650424155 /nfs/dbraw/zinc/42/41/55/650424155.db2.gz HMRMRQBPEMFYDR-CHWSQXEVSA-N 1 1 383.480 2.167 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504039008 650425989 /nfs/dbraw/zinc/42/59/89/650425989.db2.gz ADIIGQZIMIJTML-NSHDSACASA-N 1 1 391.335 2.168 20 0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504056017 650426445 /nfs/dbraw/zinc/42/64/45/650426445.db2.gz LPSPGSKTPYLZCT-UHFFFAOYSA-N 1 1 381.782 2.288 20 0 GEADMO CN(C)CC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000459547447 650428386 /nfs/dbraw/zinc/42/83/86/650428386.db2.gz JPWOTHFLLLTACZ-UHFFFAOYSA-N 1 1 375.254 2.160 20 0 GEADMO COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cs1 ZINC000459706403 650430493 /nfs/dbraw/zinc/43/04/93/650430493.db2.gz QOOCCBBPOITLEY-QMTHXVAHSA-N 1 1 399.310 2.366 20 0 GEADMO COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cs1 ZINC000459706403 650430495 /nfs/dbraw/zinc/43/04/95/650430495.db2.gz QOOCCBBPOITLEY-QMTHXVAHSA-N 1 1 399.310 2.366 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000504393344 650430735 /nfs/dbraw/zinc/43/07/35/650430735.db2.gz DZNNREYGRJFZGY-DTWKUNHWSA-N 1 1 380.297 2.271 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000504445021 650431572 /nfs/dbraw/zinc/43/15/72/650431572.db2.gz HMIMSPOCPUIBOH-WDEREUQCSA-N 1 1 389.315 2.331 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000460022044 650438025 /nfs/dbraw/zinc/43/80/25/650438025.db2.gz ARGPFNJVSDQOFV-UHFFFAOYSA-N 1 1 388.331 2.022 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000460261956 650440895 /nfs/dbraw/zinc/44/08/95/650440895.db2.gz ZHZOMHFIMWBSOA-QGZVFWFLSA-N 1 1 384.318 2.093 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000460263407 650440994 /nfs/dbraw/zinc/44/09/94/650440994.db2.gz NIQWHMIMVTYWKL-OAHLLOKOSA-N 1 1 390.709 2.011 20 0 GEADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000460263401 650441044 /nfs/dbraw/zinc/44/10/44/650441044.db2.gz NIQWHMIMVTYWKL-HNNXBMFYSA-N 1 1 390.709 2.011 20 0 GEADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccncc2Br)C[C@H](C)O1 ZINC000507180713 650455406 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COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c(Br)c1 ZINC000524375501 650640713 /nfs/dbraw/zinc/64/07/13/650640713.db2.gz OAKFLFPOQPWPEP-UHFFFAOYSA-N 1 1 398.301 2.339 20 0 GEADMO C[N@@H+](Cc1ccc(I)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524756905 650645785 /nfs/dbraw/zinc/64/57/85/650645785.db2.gz QJUMKPSJSRFQRS-LBPRGKRZSA-N 1 1 379.263 2.158 20 0 GEADMO C[N@H+](Cc1ccc(I)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524756905 650645787 /nfs/dbraw/zinc/64/57/87/650645787.db2.gz QJUMKPSJSRFQRS-LBPRGKRZSA-N 1 1 379.263 2.158 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCc2cccc(Br)c2)C1 ZINC000524420053 650641641 /nfs/dbraw/zinc/64/16/41/650641641.db2.gz NYBNYDXZNVTLDW-HNNXBMFYSA-N 1 1 396.329 2.085 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000524608695 650644003 /nfs/dbraw/zinc/64/40/03/650644003.db2.gz LTEJMFNOJCNHAG-AWEZNQCLSA-N 1 1 385.302 2.445 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000524776354 650646232 /nfs/dbraw/zinc/64/62/32/650646232.db2.gz VFQKLJFLVUYVHP-KGLIPLIRSA-N 1 1 394.313 2.260 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293198 650653111 /nfs/dbraw/zinc/65/31/11/650653111.db2.gz CRQNQWPQICCLNH-CJNGLKHVSA-N 1 1 394.313 2.260 20 0 GEADMO C[N@H+]1CCO[C@H](C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000525315358 650653515 /nfs/dbraw/zinc/65/35/15/650653515.db2.gz ZITAPPQTLDFERN-KRWDZBQOSA-N 1 1 393.281 2.428 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000525178500 650650730 /nfs/dbraw/zinc/65/07/30/650650730.db2.gz VPCQHOISHWTAQG-INIZCTEOSA-N 1 1 397.313 2.292 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000525178500 650650732 /nfs/dbraw/zinc/65/07/32/650650732.db2.gz VPCQHOISHWTAQG-INIZCTEOSA-N 1 1 397.313 2.292 20 0 GEADMO C[N@@H+]1CCO[C@H](C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000525315358 650653513 /nfs/dbraw/zinc/65/35/13/650653513.db2.gz ZITAPPQTLDFERN-KRWDZBQOSA-N 1 1 393.281 2.428 20 0 GEADMO COc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1Br ZINC000525820155 650658126 /nfs/dbraw/zinc/65/81/26/650658126.db2.gz XEGBDFITUSZXLW-LLVKDONJSA-N 1 1 377.304 2.078 20 0 GEADMO Cc1nccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000525847962 650659269 /nfs/dbraw/zinc/65/92/69/650659269.db2.gz PJDFXCQTPIMFFX-HIFRSBDPSA-N 1 1 397.317 2.339 20 0 GEADMO C[N@@H+](CCOc1c(Br)cccc1Br)[C@@H]1CCNC1=O ZINC000482808714 650668816 /nfs/dbraw/zinc/66/88/16/650668816.db2.gz AAUWXJCHTWRVTJ-LLVKDONJSA-N 1 1 392.091 2.411 20 0 GEADMO CN(C)C(=O)CSCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000482366514 650664732 /nfs/dbraw/zinc/66/47/32/650664732.db2.gz OWRKZCVCNPUFFS-MRXNPFEDSA-N 1 1 383.945 2.415 20 0 GEADMO C[N@H+](CCOc1c(Br)cccc1Br)[C@@H]1CCNC1=O ZINC000482808714 650668814 /nfs/dbraw/zinc/66/88/14/650668814.db2.gz AAUWXJCHTWRVTJ-LLVKDONJSA-N 1 1 392.091 2.411 20 0 GEADMO CCn1nccc1C[N@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000482901534 650670442 /nfs/dbraw/zinc/67/04/42/650670442.db2.gz JBAXDGKFLIWIIL-HNNXBMFYSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000482901534 650670444 /nfs/dbraw/zinc/67/04/44/650670444.db2.gz JBAXDGKFLIWIIL-HNNXBMFYSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@H+](CCO)CCC(=O)Nc1cccc(Br)c1 ZINC000482914308 650670817 /nfs/dbraw/zinc/67/08/17/650670817.db2.gz FFLBTCQCONUHOA-UHFFFAOYSA-N 1 1 395.301 2.489 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)CCC(=O)Nc1cccc(Br)c1 ZINC000482914308 650670821 /nfs/dbraw/zinc/67/08/21/650670821.db2.gz FFLBTCQCONUHOA-UHFFFAOYSA-N 1 1 395.301 2.489 20 0 GEADMO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)n1 ZINC000482989882 650672603 /nfs/dbraw/zinc/67/26/03/650672603.db2.gz VLHGBFUJLGWNJS-JTQLQIEISA-N 1 1 393.241 2.315 20 0 GEADMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000483309208 650676495 /nfs/dbraw/zinc/67/64/95/650676495.db2.gz OEWUKDQXXYIWKQ-WBMJQRKESA-N 1 1 375.296 2.424 20 0 GEADMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000483309208 650676498 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C[C@@]1(Br)C[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000527928059 650682988 /nfs/dbraw/zinc/68/29/88/650682988.db2.gz UFOZRNZXHGXJDS-DOTOQJQBSA-N 1 1 384.293 2.237 20 0 GEADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000527937433 650683071 /nfs/dbraw/zinc/68/30/71/650683071.db2.gz CHYZSZSOMSQXGU-UHFFFAOYSA-N 1 1 377.432 2.487 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br)C1CC1 ZINC000483928751 650683097 /nfs/dbraw/zinc/68/30/97/650683097.db2.gz FGPVQBZICYPZDJ-UHFFFAOYSA-N 1 1 386.265 2.436 20 0 GEADMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528312251 650688644 /nfs/dbraw/zinc/68/86/44/650688644.db2.gz ZZUAQKIISMRYSM-LLVKDONJSA-N 1 1 382.452 2.228 20 0 GEADMO COc1cc(Br)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1O ZINC000484736121 650689503 /nfs/dbraw/zinc/68/95/03/650689503.db2.gz AYEXVADVQPRTMO-INIZCTEOSA-N 1 1 390.274 2.346 20 0 GEADMO O[C@H](C[NH+]1CCN(Cc2ccc(Br)s2)CC1)CC1(O)CCC1 ZINC000528348744 650689867 /nfs/dbraw/zinc/68/98/67/650689867.db2.gz KKTMBEVQQXPHKJ-ZDUSSCGKSA-N 1 1 389.359 2.294 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@@H]1C ZINC000484753470 650690033 /nfs/dbraw/zinc/69/00/33/650690033.db2.gz OUYFPJSCRHVIMF-NWDGAFQWSA-N 1 1 390.527 2.037 20 0 GEADMO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484764584 650690137 /nfs/dbraw/zinc/69/01/37/650690137.db2.gz PRCHUUOUOKCVCR-LBPRGKRZSA-N 1 1 390.527 2.086 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000484764584 650690138 /nfs/dbraw/zinc/69/01/38/650690138.db2.gz PRCHUUOUOKCVCR-LBPRGKRZSA-N 1 1 390.527 2.086 20 0 GEADMO Cc1c[nH+]cn1CC(=O)NCCc1ccc(I)s1 ZINC000528363911 650691116 /nfs/dbraw/zinc/69/11/16/650691116.db2.gz OYCYIPMCCSTURD-UHFFFAOYSA-N 1 1 375.235 2.217 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2sc3ncccc3c2Cl)C1 ZINC000528368748 650691294 /nfs/dbraw/zinc/69/12/94/650691294.db2.gz WCNQOIFQCIZICA-NSHDSACASA-N 1 1 380.901 2.267 20 0 GEADMO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000484973493 650691638 /nfs/dbraw/zinc/69/16/38/650691638.db2.gz GFYHUAHSJCJFFG-INIZCTEOSA-N 1 1 392.283 2.207 20 0 GEADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000528416720 650692977 /nfs/dbraw/zinc/69/29/77/650692977.db2.gz IRADWKVRSMFZBL-NSHDSACASA-N 1 1 382.404 2.309 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000485151166 650693549 /nfs/dbraw/zinc/69/35/49/650693549.db2.gz SLIGRRLNWQVIBH-CMPLNLGQSA-N 1 1 380.901 2.165 20 0 GEADMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528451081 650694253 /nfs/dbraw/zinc/69/42/53/650694253.db2.gz OGARBBXJGQTMTF-UHFFFAOYSA-N 1 1 377.229 2.256 20 0 GEADMO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485619539 650698258 /nfs/dbraw/zinc/69/82/58/650698258.db2.gz KOSLQKCWRHXBGS-GFCCVEGCSA-N 1 1 394.313 2.105 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000528554367 650696664 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396.329 2.112 20 0 GEADMO COc1cc(CNC[C@H]2COCC[NH2+]2)cc(Br)c1OC(F)F ZINC000530181939 650717279 /nfs/dbraw/zinc/71/72/79/650717279.db2.gz QPMZZDNMKMLCGO-JTQLQIEISA-N 1 1 381.217 2.137 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000486655934 650717899 /nfs/dbraw/zinc/71/78/99/650717899.db2.gz JQSBCYAYBLHWLF-BBRMVZONSA-N 1 1 396.329 2.100 20 0 GEADMO O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000530220277 650718613 /nfs/dbraw/zinc/71/86/13/650718613.db2.gz TZOZGPDLGPITRM-GFCCVEGCSA-N 1 1 388.256 2.124 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530391111 650724702 /nfs/dbraw/zinc/72/47/02/650724702.db2.gz XWSOPGMDYAACBW-SNVBAGLBSA-N 1 1 386.265 2.293 20 0 GEADMO COc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1Br ZINC000530616283 650727740 /nfs/dbraw/zinc/72/77/40/650727740.db2.gz XKUGFJVXBDSXMI-LLVKDONJSA-N 1 1 377.304 2.078 20 0 GEADMO COc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1Br ZINC000530616284 650727836 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O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000569767275 651722590 /nfs/dbraw/zinc/72/25/90/651722590.db2.gz OYSICICETMWDNJ-NFOMZHRRSA-N 1 1 384.464 2.091 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@@H]2C1 ZINC000646913177 651727835 /nfs/dbraw/zinc/72/78/35/651727835.db2.gz APTADHWFPHHPNA-IINYFYTJSA-N 1 1 376.254 2.479 20 0 GEADMO CCCN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000646974731 651731235 /nfs/dbraw/zinc/73/12/35/651731235.db2.gz NHMNKRJLCFCTIN-OAHLLOKOSA-N 1 1 383.945 2.491 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000734129260 651736750 /nfs/dbraw/zinc/73/67/50/651736750.db2.gz OBVTXUGTOVZRDH-MEDUHNTESA-N 1 1 386.279 2.011 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=S)NCCSc3ccccc3)CC2)C1 ZINC000734308522 651742096 /nfs/dbraw/zinc/74/20/96/651742096.db2.gz GCCSITLOJUUYIH-KRWDZBQOSA-N 1 1 378.611 2.365 20 0 GEADMO CC[C@H](NC(=S)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000734369904 651743161 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GEADMO Cc1ccc(OCCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(Br)c1 ZINC000647679324 651754223 /nfs/dbraw/zinc/75/42/23/651754223.db2.gz YKPCGTUIKORBNI-OAHLLOKOSA-N 1 1 396.329 2.033 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000612551798 651760856 /nfs/dbraw/zinc/76/08/56/651760856.db2.gz KDAJXUBLFYGTTB-CQSZACIVSA-N 1 1 382.302 2.008 20 0 GEADMO C[NH+]1CCN(CC2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C2)CC1 ZINC000647825517 651762113 /nfs/dbraw/zinc/76/21/13/651762113.db2.gz ZIOIZDSHQSYMJF-UHFFFAOYSA-N 1 1 379.917 2.111 20 0 GEADMO COc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(Br)c1 ZINC000612670011 651764727 /nfs/dbraw/zinc/76/47/27/651764727.db2.gz JERKXXLADUYYQS-WBMJQRKESA-N 1 1 385.302 2.226 20 0 GEADMO COc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Br)c1 ZINC000612670011 651764730 /nfs/dbraw/zinc/76/47/30/651764730.db2.gz JERKXXLADUYYQS-WBMJQRKESA-N 1 1 385.302 2.226 20 0 GEADMO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970501 651767866 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C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)[C@H]2C1 ZINC000613330809 651783271 /nfs/dbraw/zinc/78/32/71/651783271.db2.gz XRAVATFHVJXBHW-ZANVPECISA-N 1 1 379.258 2.197 20 0 GEADMO CC[N@H+]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C[C@H]1C ZINC000648371314 651784320 /nfs/dbraw/zinc/78/43/20/651784320.db2.gz JJOVJRKKNMPMIM-ZIAGYGMSSA-N 1 1 398.345 2.488 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](CCCO)C1CC1 ZINC000648373352 651784385 /nfs/dbraw/zinc/78/43/85/651784385.db2.gz YXPNIVDTJNASSP-GFCCVEGCSA-N 1 1 385.302 2.309 20 0 GEADMO C[C@@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1=CC[N@@H+](C)CC1 ZINC000613376727 651784644 /nfs/dbraw/zinc/78/46/44/651784644.db2.gz VBVVYUDAXFIVQE-SECBINFHSA-N 1 1 379.258 2.411 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](CCCO)C1CC1 ZINC000648373353 651785025 /nfs/dbraw/zinc/78/50/25/651785025.db2.gz YXPNIVDTJNASSP-LBPRGKRZSA-N 1 1 385.302 2.309 20 0 GEADMO Cn1nncc1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000613433463 651786223 /nfs/dbraw/zinc/78/62/23/651786223.db2.gz AUFBOAKWYHVRQK-UHFFFAOYSA-N 1 1 382.295 2.445 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000648563101 651789902 /nfs/dbraw/zinc/78/99/02/651789902.db2.gz QMVYYOAYUQNVSR-CHWSQXEVSA-N 1 1 397.313 2.431 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc(Br)cn2)C1 ZINC000648719526 651796439 /nfs/dbraw/zinc/79/64/39/651796439.db2.gz ACDBRFMGSNPPEL-HIFRSBDPSA-N 1 1 387.322 2.070 20 0 GEADMO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)CC[N@H+]1CC(C)(C)O ZINC000613790904 651797450 /nfs/dbraw/zinc/79/74/50/651797450.db2.gz VDSLQVIWQUIHEH-LBPRGKRZSA-N 1 1 387.293 2.434 20 0 GEADMO CC[C@@H]1CN(C(=O)Nc2nccc(Br)c2C)CC[N@H+]1C[C@@H](C)O ZINC000570910806 651799390 /nfs/dbraw/zinc/79/93/90/651799390.db2.gz GJUZAIMECUTZKJ-DGCLKSJQSA-N 1 1 385.306 2.461 20 0 GEADMO O=C(OCCC[NH+]1CCOCC1)c1cccc(I)c1 ZINC000735896593 651800981 /nfs/dbraw/zinc/80/09/81/651800981.db2.gz UEGLCYVNHYTBAV-UHFFFAOYSA-N 1 1 375.206 2.170 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570942748 651801770 /nfs/dbraw/zinc/80/17/70/651801770.db2.gz DYEPTSSYRLUCQF-WDEREUQCSA-N 1 1 378.274 2.076 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@@H]21 ZINC000571019220 651805938 /nfs/dbraw/zinc/80/59/38/651805938.db2.gz GUSHGMFVNLJRFR-RNCFNFMXSA-N 1 1 386.677 2.204 20 0 GEADMO CCCN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000649005332 651810602 /nfs/dbraw/zinc/81/06/02/651810602.db2.gz USIKRFAQHQGXDA-OAHLLOKOSA-N 1 1 382.302 2.122 20 0 GEADMO Cn1ncc(Br)c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000571134880 651812560 /nfs/dbraw/zinc/81/25/60/651812560.db2.gz QTPOLBKSDDRXNH-OAHLLOKOSA-N 1 1 391.313 2.477 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000571182228 651815951 /nfs/dbraw/zinc/81/59/51/651815951.db2.gz RIICQQXKJAAOBU-UHFFFAOYSA-N 1 1 396.329 2.007 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000736666828 651830159 /nfs/dbraw/zinc/83/01/59/651830159.db2.gz XAVOCXCONQBUEB-SWLSCSKDSA-N 1 1 376.284 2.047 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000614675380 651832069 /nfs/dbraw/zinc/83/20/69/651832069.db2.gz VSJIZXRBDBPCME-CJNGLKHVSA-N 1 1 389.949 2.167 20 0 GEADMO Cc1cc(S(=O)(=O)N(C)C[C@@H](O)C[N@H+](C)C(C)C)ccc1Br ZINC000571463516 651833727 /nfs/dbraw/zinc/83/37/27/651833727.db2.gz GBONPPRHTMEGTG-ZDUSSCGKSA-N 1 1 393.347 2.079 20 0 GEADMO COC(=O)[C@@H](c1cccc(Br)c1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614920812 651845035 /nfs/dbraw/zinc/84/50/35/651845035.db2.gz RIJXEUVOGPHWPJ-OAHLLOKOSA-N 1 1 385.302 2.052 20 0 GEADMO C[C@](CO)([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000650206539 651848948 /nfs/dbraw/zinc/84/89/48/651848948.db2.gz NPFWKFACOWGWQY-FUHWJXTLSA-N 1 1 387.307 2.428 20 0 GEADMO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650727534 651865108 /nfs/dbraw/zinc/86/51/08/651865108.db2.gz DVZXQBXZMUJCHF-SUMWQHHRSA-N 1 1 396.329 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ZINC000895253880 653824999 /nfs/dbraw/zinc/82/49/99/653824999.db2.gz LYGYHBAUWAGFNM-UHFFFAOYSA-N 1 1 397.248 2.392 20 0 GEADMO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000866783227 653825424 /nfs/dbraw/zinc/82/54/24/653825424.db2.gz ISNOAVQQTDWNME-GFCCVEGCSA-N 1 1 389.265 2.261 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000866783227 653825429 /nfs/dbraw/zinc/82/54/29/653825429.db2.gz ISNOAVQQTDWNME-GFCCVEGCSA-N 1 1 389.265 2.261 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@H](C)C1 ZINC000866796866 653828124 /nfs/dbraw/zinc/82/81/24/653828124.db2.gz MBJBMIKXRWOSLW-OLZOCXBDSA-N 1 1 393.912 2.289 20 0 GEADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000895338820 653828788 /nfs/dbraw/zinc/82/87/88/653828788.db2.gz VOALELYVCGQNQF-CYBMUJFWSA-N 1 1 387.933 2.275 20 0 GEADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)CO2 ZINC000895356363 653829793 /nfs/dbraw/zinc/82/97/93/653829793.db2.gz KECTWAWZDHUORT-SNVBAGLBSA-N 1 1 387.278 2.040 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N(c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000866817160 653831965 /nfs/dbraw/zinc/83/19/65/653831965.db2.gz PEMZLCCCPAANCB-HSZRJFAPSA-N 1 1 377.507 2.089 20 0 GEADMO C[C@H]1CC[C@H]([NH2+]Cc2nc(Br)nn2C)CN1C(=O)OC(C)(C)C ZINC000895402761 653832929 /nfs/dbraw/zinc/83/29/29/653832929.db2.gz NJUORYDFQHYONU-QWRGUYRKSA-N 1 1 388.310 2.455 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1nc(Br)nn1C ZINC000895418816 653833854 /nfs/dbraw/zinc/83/38/54/653833854.db2.gz QMSIULMTEJCFQY-HIFRSBDPSA-N 1 1 378.318 2.435 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccnc2Br)CC1 ZINC000883290709 653834252 /nfs/dbraw/zinc/83/42/52/653834252.db2.gz CZSYFHIWEGBTFC-UHFFFAOYSA-N 1 1 376.320 2.184 20 0 GEADMO C[NH+]1CCC(N2CCC(NC(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792114775 653834995 /nfs/dbraw/zinc/83/49/95/653834995.db2.gz PBSDUKLGJYGENV-UHFFFAOYSA-N 1 1 399.308 2.272 20 0 GEADMO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(S(N)(=O)=O)s3)C2)cc1C ZINC000895500618 653838272 /nfs/dbraw/zinc/83/82/72/653838272.db2.gz CJHARONZPOODDS-AWEZNQCLSA-N 1 1 379.507 2.295 20 0 GEADMO ClC1(Cl)C[C@H]1CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000822747487 653839052 /nfs/dbraw/zinc/83/90/52/653839052.db2.gz YQNBKCINDYJUKS-CQSZACIVSA-N 1 1 381.311 2.364 20 0 GEADMO NS(=O)(=O)c1ccc2ccccc2c1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895568795 653841458 /nfs/dbraw/zinc/84/14/58/653841458.db2.gz KFTNWKYSGMTEEF-JKSUJKDBSA-N 1 1 377.535 2.479 20 0 GEADMO COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000883475328 653842095 /nfs/dbraw/zinc/84/20/95/653842095.db2.gz RCNPRQMPJUNENK-HNNXBMFYSA-N 1 1 381.885 2.387 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000883503982 653843713 /nfs/dbraw/zinc/84/37/13/653843713.db2.gz VADPJDKEPNNZFL-SGIREYDYSA-N 1 1 382.302 2.407 20 0 GEADMO O=C(NCCC[N@@H+](CCO)Cc1ccc(Br)s1)C(F)(F)F ZINC000792487789 653844394 /nfs/dbraw/zinc/84/43/94/653844394.db2.gz JQHSJHSPKSKZPJ-UHFFFAOYSA-N 1 1 389.237 2.374 20 0 GEADMO O=C(NCCC[N@H+](CCO)Cc1ccc(Br)s1)C(F)(F)F ZINC000792487789 653844395 /nfs/dbraw/zinc/84/43/95/653844395.db2.gz JQHSJHSPKSKZPJ-UHFFFAOYSA-N 1 1 389.237 2.374 20 0 GEADMO Cn1nc(Br)nc1CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895648621 653844535 /nfs/dbraw/zinc/84/45/35/653844535.db2.gz WKVGVALFXHIUMT-OAHLLOKOSA-N 1 1 391.317 2.474 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2F)[C@@H](C)C[N@@H+]1CCO ZINC000822931063 653846475 /nfs/dbraw/zinc/84/64/75/653846475.db2.gz JPGFYTQSYOSQOO-ZJUUUORDSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2F)[C@@H](C)C[N@H+]1CCO ZINC000822931063 653846478 /nfs/dbraw/zinc/84/64/78/653846478.db2.gz JPGFYTQSYOSQOO-ZJUUUORDSA-N 1 1 377.229 2.254 20 0 GEADMO CCO/C=C/[C@@](O)(C[NH2+]Cc1c(Br)c(C)nn1C)C(F)(F)F ZINC000895714167 653847405 /nfs/dbraw/zinc/84/74/05/653847405.db2.gz RFQGFNWNQCGCRW-BTDICHCPSA-N 1 1 386.212 2.424 20 0 GEADMO CCO/C=C\[C@@](O)(C[NH2+]Cc1csc(-c2ccn(C)n2)n1)C(F)(F)F ZINC000895716583 653847814 /nfs/dbraw/zinc/84/78/14/653847814.db2.gz BXLSDAJYWFXTFC-BRLPQQTGSA-N 1 1 376.404 2.477 20 0 GEADMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000895769437 653849722 /nfs/dbraw/zinc/84/97/22/653849722.db2.gz OYDVQHRIBOEIJP-CQSZACIVSA-N 1 1 396.310 2.444 20 0 GEADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866929128 653850778 /nfs/dbraw/zinc/85/07/78/653850778.db2.gz AHQAVDLYCDXSBH-ZDUSSCGKSA-N 1 1 382.511 2.338 20 0 GEADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866929127 653850808 /nfs/dbraw/zinc/85/08/08/653850808.db2.gz AHQAVDLYCDXSBH-CYBMUJFWSA-N 1 1 382.511 2.338 20 0 GEADMO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1(Br)Br ZINC000823034222 653851027 /nfs/dbraw/zinc/85/10/27/653851027.db2.gz MQQBBTBCNPVTGB-JOYOIKCWSA-N 1 1 380.124 2.483 20 0 GEADMO C[N@@H+](CCNC(=O)c1cnn(C(C)(C)C)c1I)C1CC1 ZINC000895872631 653853929 /nfs/dbraw/zinc/85/39/29/653853929.db2.gz GXOIYTFLKVMJOZ-UHFFFAOYSA-N 1 1 390.269 2.067 20 0 GEADMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C[C@@H](C)O1 ZINC000866958255 653855491 /nfs/dbraw/zinc/85/54/91/653855491.db2.gz LRPIQJFCGBRIAI-MGPQQGTHSA-N 1 1 387.373 2.379 20 0 GEADMO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866958257 653855508 /nfs/dbraw/zinc/85/55/08/653855508.db2.gz LRPIQJFCGBRIAI-MJBXVCDLSA-N 1 1 387.373 2.379 20 0 GEADMO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866958257 653855511 /nfs/dbraw/zinc/85/55/11/653855511.db2.gz LRPIQJFCGBRIAI-MJBXVCDLSA-N 1 1 387.373 2.379 20 0 GEADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792908741 653855571 /nfs/dbraw/zinc/85/55/71/653855571.db2.gz RZGKRHSCLLSLSC-DOTOQJQBSA-N 1 1 386.323 2.440 20 0 GEADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(Cc4ccco4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792908741 653855572 /nfs/dbraw/zinc/85/55/72/653855572.db2.gz RZGKRHSCLLSLSC-DOTOQJQBSA-N 1 1 386.323 2.440 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908340 653856437 /nfs/dbraw/zinc/85/64/37/653856437.db2.gz IHGGDBKYTXIDIL-DLBZAZTESA-N 1 1 380.535 2.354 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908340 653856439 /nfs/dbraw/zinc/85/64/39/653856439.db2.gz IHGGDBKYTXIDIL-DLBZAZTESA-N 1 1 380.535 2.354 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)nc1Br ZINC000792953499 653856995 /nfs/dbraw/zinc/85/69/95/653856995.db2.gz PWSBGDRSHHIZJT-GFCCVEGCSA-N 1 1 383.290 2.082 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895946044 653858222 /nfs/dbraw/zinc/85/82/22/653858222.db2.gz WUEDSOVNUVXMBB-MLGOLLRUSA-N 1 1 395.297 2.377 20 0 GEADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@H]1CC1(Cl)Cl ZINC000823226060 653858867 /nfs/dbraw/zinc/85/88/67/653858867.db2.gz YRJAWMZQFFYWDL-JTQLQIEISA-N 1 1 385.288 2.368 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)nc1Br ZINC000792981633 653859014 /nfs/dbraw/zinc/85/90/14/653859014.db2.gz AESKNMLBPSBGJM-UHFFFAOYSA-N 1 1 383.290 2.082 20 0 GEADMO Cc1[nH]nc(I)c1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000895970585 653859383 /nfs/dbraw/zinc/85/93/83/653859383.db2.gz FCSXULANEYHEPN-UHFFFAOYSA-N 1 1 390.269 2.269 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)[C@@H]2C1 ZINC000823276912 653860669 /nfs/dbraw/zinc/86/06/69/653860669.db2.gz ZQOBXGBBTSIRIX-HZUKXOBISA-N 1 1 392.297 2.428 20 0 GEADMO [NH3+]Cc1ocnc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884095905 653863029 /nfs/dbraw/zinc/86/30/29/653863029.db2.gz DADCMZNRQUPEJT-UHFFFAOYSA-N 1 1 394.269 2.374 20 0 GEADMO CN(C)S(=O)(=O)c1cc(C(=O)OC[C@@]23CC[N@@H+](C2)CCC3)ccc1Cl ZINC000845791408 653863595 /nfs/dbraw/zinc/86/35/95/653863595.db2.gz NHKYFZAHKOXSPN-KRWDZBQOSA-N 1 1 386.901 2.233 20 0 GEADMO Cc1cc(Br)ccc1OS(=O)(=O)CCC[NH+]1CCN(C)CC1 ZINC000867011159 653865262 /nfs/dbraw/zinc/86/52/62/653865262.db2.gz HYFKWLNWSGXHHF-UHFFFAOYSA-N 1 1 391.331 2.104 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Br)cc1 ZINC000884165182 653866636 /nfs/dbraw/zinc/86/66/36/653866636.db2.gz AWPAOJCVRJEROV-HOTGVXAUSA-N 1 1 394.313 2.499 20 0 GEADMO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884231125 653868557 /nfs/dbraw/zinc/86/85/57/653868557.db2.gz JPYGMRJBTWHMBY-KRWDZBQOSA-N 1 1 398.345 2.455 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884253132 653869255 /nfs/dbraw/zinc/86/92/55/653869255.db2.gz AKMKQGDSZBBFGD-UHFFFAOYSA-N 1 1 394.607 2.007 20 0 GEADMO O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000884279728 653870396 /nfs/dbraw/zinc/87/03/96/653870396.db2.gz RVCNNSNVCVAWNM-LLLHUVSDSA-N 1 1 382.913 2.169 20 0 GEADMO CC[N@@H+](CCC1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1)CC1CC1 ZINC000867051690 653871349 /nfs/dbraw/zinc/87/13/49/653871349.db2.gz YLFQGFKEDZAIKX-UHFFFAOYSA-N 1 1 391.603 2.327 20 0 GEADMO N[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(Br)cc1 ZINC000884341366 653873117 /nfs/dbraw/zinc/87/31/17/653873117.db2.gz XBNXEFZKIIVMOT-IXDOHACOSA-N 1 1 396.329 2.194 20 0 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CN(C)S(=O)(=O)C1(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902401663 654176932 /nfs/dbraw/zinc/17/69/32/654176932.db2.gz APRXXRCMRSAWSR-INIZCTEOSA-N 1 1 375.485 2.149 20 0 GEADMO CN(CCn1cnc(Br)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793491 654178578 /nfs/dbraw/zinc/17/85/78/654178578.db2.gz WLHMVRUJAZRNCQ-MRXNPFEDSA-N 1 1 378.318 2.495 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000801141056 654179214 /nfs/dbraw/zinc/17/92/14/654179214.db2.gz IIQJJGPDTARNEF-MBNYWOFBSA-N 1 1 399.333 2.205 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000801141056 654179218 /nfs/dbraw/zinc/17/92/18/654179218.db2.gz IIQJJGPDTARNEF-MBNYWOFBSA-N 1 1 399.333 2.205 20 0 GEADMO CCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2cc(OC)ccc2Br)C1 ZINC000851820676 654183143 /nfs/dbraw/zinc/18/31/43/654183143.db2.gz FIEUPLXWKFGDPK-ZDUSSCGKSA-N 1 1 391.331 2.361 20 0 GEADMO OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2Cn1ncc2c1cccc2Br ZINC000902642834 654190056 /nfs/dbraw/zinc/19/00/56/654190056.db2.gz JBJLMNJMLZNTII-IRXDYDNUSA-N 1 1 379.302 2.287 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000919860887 654194155 /nfs/dbraw/zinc/19/41/55/654194155.db2.gz UOJSCSAPUPSCGK-OLZOCXBDSA-N 1 1 389.315 2.315 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000919860887 654194164 /nfs/dbraw/zinc/19/41/64/654194164.db2.gz UOJSCSAPUPSCGK-OLZOCXBDSA-N 1 1 389.315 2.315 20 0 GEADMO C[C@H](NS(=O)(=O)Cc1cc(Cl)sc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919980682 654197842 /nfs/dbraw/zinc/19/78/42/654197842.db2.gz FJBLPXMVPXTGMU-GXSJLCMTSA-N 1 1 386.370 2.109 20 0 GEADMO C[C@H](NS(=O)(=O)Cc1cc(Cl)sc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919980682 654197847 /nfs/dbraw/zinc/19/78/47/654197847.db2.gz FJBLPXMVPXTGMU-GXSJLCMTSA-N 1 1 386.370 2.109 20 0 GEADMO C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919988697 654198416 /nfs/dbraw/zinc/19/84/16/654198416.db2.gz HOXUFMGUWXGQAL-IINYFYTJSA-N 1 1 399.866 2.271 20 0 GEADMO C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919988697 654198423 /nfs/dbraw/zinc/19/84/23/654198423.db2.gz HOXUFMGUWXGQAL-IINYFYTJSA-N 1 1 399.866 2.271 20 0 GEADMO Cc1[nH+]ccn1CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870889428 654204792 /nfs/dbraw/zinc/20/47/92/654204792.db2.gz YSWVANFGXOXMCR-ZDUSSCGKSA-N 1 1 393.285 2.411 20 0 GEADMO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000851938471 654206630 /nfs/dbraw/zinc/20/66/30/654206630.db2.gz QKCJPAPHXWEXDX-HOCLYGCPSA-N 1 1 376.390 2.467 20 0 GEADMO Cn1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nc1Cl ZINC000801716156 654206501 /nfs/dbraw/zinc/20/65/01/654206501.db2.gz SJHFPYPAHZMIAO-LBPRGKRZSA-N 1 1 377.297 2.308 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Cl ZINC000920272975 654207206 /nfs/dbraw/zinc/20/72/06/654207206.db2.gz AGVNIYVNSZEFPW-NCZKRNLISA-N 1 1 392.974 2.468 20 0 GEADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202800 654207856 /nfs/dbraw/zinc/20/78/56/654207856.db2.gz RCLTYIYTGLZDHC-VIFPVBQESA-N 1 1 395.223 2.491 20 0 GEADMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)CC2 ZINC000851954580 654208370 /nfs/dbraw/zinc/20/83/70/654208370.db2.gz LYEPMNXPBSNHPA-IBGZPJMESA-N 1 1 389.293 2.489 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920281815 654208468 /nfs/dbraw/zinc/20/84/68/654208468.db2.gz HROYMYIFMKBICV-AHCXZYCDSA-N 1 1 386.945 2.406 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000920281452 654208524 /nfs/dbraw/zinc/20/85/24/654208524.db2.gz BKONZMHOVLDFQH-QBPKDAKJSA-N 1 1 390.908 2.237 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC000920281803 654208662 /nfs/dbraw/zinc/20/86/62/654208662.db2.gz HIBNPTAPJXQBGS-TXCZRRACSA-N 1 1 390.908 2.237 20 0 GEADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970426 654209620 /nfs/dbraw/zinc/20/96/20/654209620.db2.gz WHAHQLQALFJHHD-JKSUJKDBSA-N 1 1 385.339 2.296 20 0 GEADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970426 654209627 /nfs/dbraw/zinc/20/96/27/654209627.db2.gz WHAHQLQALFJHHD-JKSUJKDBSA-N 1 1 385.339 2.296 20 0 GEADMO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000851969752 654209810 /nfs/dbraw/zinc/20/98/10/654209810.db2.gz LBLIEUSQRZYKHS-OAHLLOKOSA-N 1 1 375.381 2.317 20 0 GEADMO C[C@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@H+]1C ZINC000920404091 654211546 /nfs/dbraw/zinc/21/15/46/654211546.db2.gz LGKFHVZNKJEYRN-WCQYABFASA-N 1 1 382.306 2.400 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC[N@H+]1C ZINC000920404090 654211700 /nfs/dbraw/zinc/21/17/00/654211700.db2.gz LGKFHVZNKJEYRN-DGCLKSJQSA-N 1 1 382.306 2.400 20 0 GEADMO CO[C@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)[C@H]1CCOC1 ZINC000852006487 654212169 /nfs/dbraw/zinc/21/21/69/654212169.db2.gz OQJVYJKFVVZJSU-NWDGAFQWSA-N 1 1 391.331 2.241 20 0 GEADMO N[C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1cccc(Br)c1 ZINC000870949220 654213887 /nfs/dbraw/zinc/21/38/87/654213887.db2.gz XDCFGGLFAFIQCB-SIXLDLHFSA-N 1 1 396.329 2.194 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@@H]1CC2(CO1)CCOCC2)c1ccccc1Br ZINC000870961314 654214696 /nfs/dbraw/zinc/21/46/96/654214696.db2.gz DNUOMTIDACSMGY-WFASDCNBSA-N 1 1 383.286 2.151 20 0 GEADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000890316562 654214850 /nfs/dbraw/zinc/21/48/50/654214850.db2.gz FUONZDGJOBTXLS-AWEZNQCLSA-N 1 1 377.286 2.435 20 0 GEADMO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC000852046213 654214925 /nfs/dbraw/zinc/21/49/25/654214925.db2.gz MUVIFLYKTHSQNO-MRXNPFEDSA-N 1 1 375.531 2.024 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903117798 654217602 /nfs/dbraw/zinc/21/76/02/654217602.db2.gz GIXRRBDADWGCPZ-GHMZBOCLSA-N 1 1 387.445 2.454 20 0 GEADMO C[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@H+]1CCC[C@H](C)C1 ZINC000852091966 654217699 /nfs/dbraw/zinc/21/76/99/654217699.db2.gz OELQJZJUGMXYJG-STQMWFEESA-N 1 1 384.322 2.291 20 0 GEADMO C[N@@H+](CCn1cnc(Br)n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000852138783 654220696 /nfs/dbraw/zinc/22/06/96/654220696.db2.gz TYFZINDJNLFCRS-UHFFFAOYSA-N 1 1 388.310 2.420 20 0 GEADMO C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000852189079 654224551 /nfs/dbraw/zinc/22/45/51/654224551.db2.gz VJXOOFLCABPTGI-MLGOLLRUSA-N 1 1 390.311 2.294 20 0 GEADMO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903214483 654227564 /nfs/dbraw/zinc/22/75/64/654227564.db2.gz AQNFUBAESGYGDV-ZDUSSCGKSA-N 1 1 389.315 2.317 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903212447 654227603 /nfs/dbraw/zinc/22/76/03/654227603.db2.gz XPWGOKOGVRMPLD-SNVBAGLBSA-N 1 1 393.278 2.066 20 0 GEADMO O=C(NCCC1SCCS1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000852248687 654227982 /nfs/dbraw/zinc/22/79/82/654227982.db2.gz KIGFOEAFFVQSEP-MRXNPFEDSA-N 1 1 381.567 2.249 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000903225514 654228478 /nfs/dbraw/zinc/22/84/78/654228478.db2.gz IBDCLYASHJZUDM-GFCCVEGCSA-N 1 1 399.460 2.125 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(OC(F)(F)F)c1 ZINC000903229188 654229945 /nfs/dbraw/zinc/22/99/45/654229945.db2.gz FITGJOUSXJAKFX-JTQLQIEISA-N 1 1 388.433 2.293 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852313816 654231749 /nfs/dbraw/zinc/23/17/49/654231749.db2.gz OIBRHBZPINJYMS-GFCCVEGCSA-N 1 1 379.258 2.349 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852313816 654231756 /nfs/dbraw/zinc/23/17/56/654231756.db2.gz OIBRHBZPINJYMS-GFCCVEGCSA-N 1 1 379.258 2.349 20 0 GEADMO COC[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000903291324 654232799 /nfs/dbraw/zinc/23/27/99/654232799.db2.gz WKERCYWNMTYLDH-HNNXBMFYSA-N 1 1 380.432 2.408 20 0 GEADMO O=S(=O)(CC[NH2+][C@@H](c1nc(Br)cs1)C1CC1)N1CCCC1 ZINC000903291399 654232949 /nfs/dbraw/zinc/23/29/49/654232949.db2.gz YBDHWYKEVXVVND-GFCCVEGCSA-N 1 1 394.360 2.372 20 0 GEADMO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000852336748 654233834 /nfs/dbraw/zinc/23/38/34/654233834.db2.gz QPJMINNEEMWEHJ-GRYCIOLGSA-N 1 1 391.323 2.244 20 0 GEADMO O=C(NC[C@@H]1CC1(Cl)Cl)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000921117569 654236579 /nfs/dbraw/zinc/23/65/79/654236579.db2.gz RXXHLCUFINGLCP-NSHDSACASA-N 1 1 392.249 2.476 20 0 GEADMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431258 654238718 /nfs/dbraw/zinc/23/87/18/654238718.db2.gz QYIDPDCKMXBNPX-STQMWFEESA-N 1 1 375.252 2.260 20 0 GEADMO O=S(=O)(c1cnc2n1CCCC2)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000903497741 654241976 /nfs/dbraw/zinc/24/19/76/654241976.db2.gz OHTYSFRHYXMUGL-HNNXBMFYSA-N 1 1 380.901 2.208 20 0 GEADMO C[C@H](c1ncc(Br)cn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506698 654242938 /nfs/dbraw/zinc/24/29/38/654242938.db2.gz DWKHUUBPWVBRID-WQVCFCJDSA-N 1 1 380.334 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O=C(Cc1c(Cl)cccc1Cl)NCCCCN1CC[NH+](CCO)CC1 ZINC000131730026 532202650 /nfs/dbraw/zinc/20/26/50/532202650.db2.gz COIXMWGZMLCJIQ-UHFFFAOYSA-N 1 1 388.339 2.042 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000179370441 532229807 /nfs/dbraw/zinc/22/98/07/532229807.db2.gz SBWJZRILNROLNG-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COc1cc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)sc1Br ZINC000133408649 532234837 /nfs/dbraw/zinc/23/48/37/532234837.db2.gz JKTCNBOCVJBIFD-UHFFFAOYSA-N 1 1 390.347 2.229 20 0 GEADMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)[C@@H]1CO ZINC000132909115 532223401 /nfs/dbraw/zinc/22/34/01/532223401.db2.gz CPUSIUCSOWRNNA-BXUZGUMPSA-N 1 1 388.249 2.323 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000179142820 532223417 /nfs/dbraw/zinc/22/34/17/532223417.db2.gz TWAZXYOQIBVPSE-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cncc(I)c1 ZINC000179250438 532226605 /nfs/dbraw/zinc/22/66/05/532226605.db2.gz XXVOYQIDAOCGFH-SNVBAGLBSA-N 1 1 384.221 2.257 20 0 GEADMO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)n1 ZINC000133747506 532242413 /nfs/dbraw/zinc/24/24/13/532242413.db2.gz HSVQPLZYSHJVCS-CQSZACIVSA-N 1 1 382.302 2.337 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133913197 532245635 /nfs/dbraw/zinc/24/56/35/532245635.db2.gz LHSSVWCSDJGEQP-CYBMUJFWSA-N 1 1 382.302 2.496 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000134121626 532251128 /nfs/dbraw/zinc/25/11/28/532251128.db2.gz SYBKESJMOXJZCL-GFCCVEGCSA-N 1 1 398.301 2.196 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000133514344 532236798 /nfs/dbraw/zinc/23/67/98/532236798.db2.gz RSWMWZJAXFVURF-OLZOCXBDSA-N 1 1 395.301 2.176 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2Br)[C@H](C)C1 ZINC000180385418 532270428 /nfs/dbraw/zinc/27/04/28/532270428.db2.gz ZQKPEHOZQYWYLA-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2Br)[C@H](C)C1 ZINC000180385418 532270431 /nfs/dbraw/zinc/27/04/31/532270431.db2.gz ZQKPEHOZQYWYLA-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO CC[C@@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCC[NH2+]1 ZINC000134470375 532257423 /nfs/dbraw/zinc/25/74/23/532257423.db2.gz OJECKQRLOSODFD-INIZCTEOSA-N 1 1 378.274 2.383 20 0 GEADMO Cn1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(-c2cccs2)n1 ZINC000180756253 532280295 /nfs/dbraw/zinc/28/02/95/532280295.db2.gz KHHUCNMCXLGRRV-HNNXBMFYSA-N 1 1 380.539 2.149 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(-c2cccs2)n1 ZINC000180756253 532280300 /nfs/dbraw/zinc/28/03/00/532280300.db2.gz KHHUCNMCXLGRRV-HNNXBMFYSA-N 1 1 380.539 2.149 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(Br)s2)C[C@@H]1C ZINC000180757754 532280408 /nfs/dbraw/zinc/28/04/08/532280408.db2.gz STIILVFYELKOJX-NWDGAFQWSA-N 1 1 390.347 2.150 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C)c2Br)[C@H](C)C1 ZINC000180845421 532283596 /nfs/dbraw/zinc/28/35/96/532283596.db2.gz ZRCHDJNUOOIFCB-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C)c2Br)[C@H](C)C1 ZINC000180845421 532283601 /nfs/dbraw/zinc/28/36/01/532283601.db2.gz ZRCHDJNUOOIFCB-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO O=C1NCCCN1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000135429164 532274136 /nfs/dbraw/zinc/27/41/36/532274136.db2.gz JMGNMSIFXWOFOW-MRXNPFEDSA-N 1 1 382.302 2.362 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc3cc(Br)ccc3[nH]2)cn1 ZINC000181444418 532298542 /nfs/dbraw/zinc/29/85/42/532298542.db2.gz AZIYQGQJRIPHFR-MRXNPFEDSA-N 1 1 388.269 2.451 20 0 GEADMO CC(C)([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccccc1Br ZINC000181516843 532300346 /nfs/dbraw/zinc/30/03/46/532300346.db2.gz BGNYPHKOECVBGA-UHFFFAOYSA-N 1 1 396.329 2.403 20 0 GEADMO CC(C)[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000181631888 532303895 /nfs/dbraw/zinc/30/38/95/532303895.db2.gz UHKSHHXQIJKZMS-GXSJLCMTSA-N 1 1 395.265 2.189 20 0 GEADMO C[C@@H](C[S@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000181635694 532304102 /nfs/dbraw/zinc/30/41/02/532304102.db2.gz UOENWQTUTFDFHP-VAZLSXMYSA-N 1 1 376.444 2.324 20 0 GEADMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181679261 532305384 /nfs/dbraw/zinc/30/53/84/532305384.db2.gz BFORSIYTOXIBLH-AWEZNQCLSA-N 1 1 375.332 2.395 20 0 GEADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181679261 532305386 /nfs/dbraw/zinc/30/53/86/532305386.db2.gz BFORSIYTOXIBLH-AWEZNQCLSA-N 1 1 375.332 2.395 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000182031724 532308742 /nfs/dbraw/zinc/30/87/42/532308742.db2.gz KPCHPYBHEUUSQE-GFCCVEGCSA-N 1 1 399.285 2.007 20 0 GEADMO C[C@H](C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000183386312 532324898 /nfs/dbraw/zinc/32/48/98/532324898.db2.gz ICYURCRURHCJHF-GFCCVEGCSA-N 1 1 389.327 2.298 20 0 GEADMO Cn1cc(Br)cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183453695 532325224 /nfs/dbraw/zinc/32/52/24/532325224.db2.gz CYPUGCOIYTVJEU-INIZCTEOSA-N 1 1 392.297 2.284 20 0 GEADMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC000183529170 532326002 /nfs/dbraw/zinc/32/60/02/532326002.db2.gz IEHGZYWOKIPVDC-SNVBAGLBSA-N 1 1 395.294 2.359 20 0 GEADMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC000183529170 532326004 /nfs/dbraw/zinc/32/60/04/532326004.db2.gz IEHGZYWOKIPVDC-SNVBAGLBSA-N 1 1 395.294 2.359 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000182651985 532316158 /nfs/dbraw/zinc/31/61/58/532316158.db2.gz LKTURIWRBBWWHC-NXEZZACHSA-N 1 1 378.288 2.304 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc(Br)c1 ZINC000182823014 532318396 /nfs/dbraw/zinc/31/83/96/532318396.db2.gz GAGGJJHGCTYJOM-MRXNPFEDSA-N 1 1 399.333 2.271 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cnc1Br ZINC000182835602 532318757 /nfs/dbraw/zinc/31/87/57/532318757.db2.gz FAVFISRXEGWCDH-ZDUSSCGKSA-N 1 1 397.317 2.185 20 0 GEADMO CN1CCN(CCC[N@H+](C)Cc2ccc(I)cc2)CC1 ZINC000182952084 532320141 /nfs/dbraw/zinc/32/01/41/532320141.db2.gz XIEXMZVEHDTQEM-UHFFFAOYSA-N 1 1 387.309 2.361 20 0 GEADMO CN1CCN(CCC[N@@H+](C)Cc2ccc(I)cc2)CC1 ZINC000182952084 532320142 /nfs/dbraw/zinc/32/01/42/532320142.db2.gz XIEXMZVEHDTQEM-UHFFFAOYSA-N 1 1 387.309 2.361 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182967116 532320146 /nfs/dbraw/zinc/32/01/46/532320146.db2.gz GMXAPFNDIRZMIE-INIZCTEOSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182967116 532320147 /nfs/dbraw/zinc/32/01/47/532320147.db2.gz GMXAPFNDIRZMIE-INIZCTEOSA-N 1 1 390.355 2.302 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(Br)c2Cl)CC1 ZINC000183055397 532321325 /nfs/dbraw/zinc/32/13/25/532321325.db2.gz ZZKCMNASJHMPEQ-UHFFFAOYSA-N 1 1 388.693 2.043 20 0 GEADMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219047 532322265 /nfs/dbraw/zinc/32/22/65/532322265.db2.gz KANCEPFSMWANEG-SDDRHHMPSA-N 1 1 388.249 2.321 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185110253 532336893 /nfs/dbraw/zinc/33/68/93/532336893.db2.gz UGZQFTGHXZEHBS-RISCZKNCSA-N 1 1 379.810 2.399 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc(I)c1 ZINC000185226738 532337194 /nfs/dbraw/zinc/33/71/94/532337194.db2.gz KDORUFUGXBGLOM-UHFFFAOYSA-N 1 1 394.278 2.006 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000185233375 532337325 /nfs/dbraw/zinc/33/73/25/532337325.db2.gz SYGABDJKSKPMEL-UHFFFAOYSA-N 1 1 377.304 2.172 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cc(F)ccc2Br)C[C@H]1C ZINC000185575067 532337970 /nfs/dbraw/zinc/33/79/70/532337970.db2.gz UUDOBIXZBDMRIL-VXGBXAGGSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1Br ZINC000185634697 532338218 /nfs/dbraw/zinc/33/82/18/532338218.db2.gz RWCVDMCRQNDJJD-CQSZACIVSA-N 1 1 383.334 2.274 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1sccc1Br ZINC000185638763 532338258 /nfs/dbraw/zinc/33/82/58/532338258.db2.gz OBJKYTKAELEBLI-GFCCVEGCSA-N 1 1 389.363 2.336 20 0 GEADMO Cc1nc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1Br ZINC000185654696 532338343 /nfs/dbraw/zinc/33/83/43/532338343.db2.gz LQWPAQCCMXHAPW-LBPRGKRZSA-N 1 1 384.322 2.300 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc(OC)c1)C1CC1 ZINC000185751160 532338613 /nfs/dbraw/zinc/33/86/13/532338613.db2.gz RMDOJPLCVFTYQN-UHFFFAOYSA-N 1 1 377.304 2.220 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000186021179 532339540 /nfs/dbraw/zinc/33/95/40/532339540.db2.gz RDAZVAREFJMKGW-CQSZACIVSA-N 1 1 376.404 2.027 20 0 GEADMO O=C(C[NH+]1CCC(Cn2cncn2)CC1)Nc1ccc(Br)cc1 ZINC000186221961 532340270 /nfs/dbraw/zinc/34/02/70/532340270.db2.gz LOKMXBMVWCOFPV-UHFFFAOYSA-N 1 1 378.274 2.391 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186459621 532340865 /nfs/dbraw/zinc/34/08/65/532340865.db2.gz ZCGPEZCYMKWLAR-YPMHNXCESA-N 1 1 378.416 2.224 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccc(I)cc1 ZINC000186796561 532341979 /nfs/dbraw/zinc/34/19/79/532341979.db2.gz BSFCKLBDOJONQP-UHFFFAOYSA-N 1 1 388.249 2.223 20 0 GEADMO Cc1ccc(CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186856362 532342153 /nfs/dbraw/zinc/34/21/53/532342153.db2.gz ISRAVRJLLWIOKA-HNNXBMFYSA-N 1 1 382.346 2.442 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187128142 532343296 /nfs/dbraw/zinc/34/32/96/532343296.db2.gz JDKGWNYGGSGZJB-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000183671049 532327622 /nfs/dbraw/zinc/32/76/22/532327622.db2.gz LKZCFMPAZVOORT-QWRGUYRKSA-N 1 1 396.285 2.335 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000183966563 532330541 /nfs/dbraw/zinc/33/05/41/532330541.db2.gz BYZHEZYJAWCNCU-GFCCVEGCSA-N 1 1 375.282 2.197 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000183966549 532330560 /nfs/dbraw/zinc/33/05/60/532330560.db2.gz BYZHEZYJAWCNCU-LBPRGKRZSA-N 1 1 375.282 2.197 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1Br ZINC000184067493 532330786 /nfs/dbraw/zinc/33/07/86/532330786.db2.gz SWMDVOANSASGJI-GFCCVEGCSA-N 1 1 386.338 2.051 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000184339833 532332282 /nfs/dbraw/zinc/33/22/82/532332282.db2.gz RXSRHZKRFWQBGM-ITDFMYJTSA-N 1 1 381.933 2.205 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCOc1ccccc1Br ZINC000184343784 532332402 /nfs/dbraw/zinc/33/24/02/532332402.db2.gz QLIPEVIBHRSGHE-HNNXBMFYSA-N 1 1 398.345 2.360 20 0 GEADMO Cc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(Br)n1 ZINC000184542597 532333558 /nfs/dbraw/zinc/33/35/58/532333558.db2.gz BNMYDQAMWZDJNU-CYBMUJFWSA-N 1 1 384.322 2.300 20 0 GEADMO CCN(C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1)S(C)(=O)=O ZINC000187249017 532343658 /nfs/dbraw/zinc/34/36/58/532343658.db2.gz TWZBDIRQPSCDNQ-INIZCTEOSA-N 1 1 378.897 2.258 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000187866557 532345900 /nfs/dbraw/zinc/34/59/00/532345900.db2.gz CXTCZWIUMYCHRH-OAHLLOKOSA-N 1 1 395.345 2.395 20 0 GEADMO C[C@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000188031135 532346377 /nfs/dbraw/zinc/34/63/77/532346377.db2.gz SEWBUCQUXBSLAS-ZDUSSCGKSA-N 1 1 384.318 2.436 20 0 GEADMO CC[N@@H+](CC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)C1CC1 ZINC000188263383 532347730 /nfs/dbraw/zinc/34/77/30/532347730.db2.gz ODGFQKLLIMTNKV-UHFFFAOYSA-N 1 1 377.436 2.080 20 0 GEADMO C[C@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@H+]1CC(C)(C)O ZINC000188654664 532349005 /nfs/dbraw/zinc/34/90/05/532349005.db2.gz UEVBALFVDAHKDJ-NSHDSACASA-N 1 1 375.332 2.357 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1Br ZINC000188749681 532349387 /nfs/dbraw/zinc/34/93/87/532349387.db2.gz BNUCVLNJQOBOEM-CYBMUJFWSA-N 1 1 398.301 2.387 20 0 GEADMO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000189338595 532351731 /nfs/dbraw/zinc/35/17/31/532351731.db2.gz WSTUMEMVOHLTQE-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO COc1ccc(CCC(=O)NCC[N@H+]2CCCOCC2)cc1Br ZINC000189420797 532352096 /nfs/dbraw/zinc/35/20/96/532352096.db2.gz MNNBKEXGKDQAIK-UHFFFAOYSA-N 1 1 385.302 2.229 20 0 GEADMO Cc1ccc(NC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000189472274 532352391 /nfs/dbraw/zinc/35/23/91/532352391.db2.gz SZPZNZQVMVFNPY-AWEZNQCLSA-N 1 1 398.345 2.473 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000189709337 532353323 /nfs/dbraw/zinc/35/33/23/532353323.db2.gz ZMIVDFRXTMDYNJ-LBPRGKRZSA-N 1 1 383.279 2.318 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000189697651 532353349 /nfs/dbraw/zinc/35/33/49/532353349.db2.gz MIFLGIZIXPJYSU-AWEZNQCLSA-N 1 1 385.302 2.051 20 0 GEADMO CN1CC[NH+](CCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000189789842 532353676 /nfs/dbraw/zinc/35/36/76/532353676.db2.gz SQXVHEGAIHHVKK-UHFFFAOYSA-N 1 1 380.330 2.234 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000190210197 532355250 /nfs/dbraw/zinc/35/52/50/532355250.db2.gz 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CCN(CCC[NH+](CC)CC)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000190966302 532358871 /nfs/dbraw/zinc/35/88/71/532358871.db2.gz GXJGWLDHCOQKHQ-UHFFFAOYSA-N 1 1 390.571 2.052 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(F)c1Cl ZINC000191093809 532359486 /nfs/dbraw/zinc/35/94/86/532359486.db2.gz UNWLTWGIJKNVRP-UHFFFAOYSA-N 1 1 393.843 2.045 20 0 GEADMO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000191166720 532359750 /nfs/dbraw/zinc/35/97/50/532359750.db2.gz NUVOJXYRTSWWDX-BVUQATHDSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000191166720 532359751 /nfs/dbraw/zinc/35/97/51/532359751.db2.gz NUVOJXYRTSWWDX-BVUQATHDSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)N1CC[NH+](C)CC1 ZINC000187354363 532344089 /nfs/dbraw/zinc/34/40/89/532344089.db2.gz KCVGXAUFXYTTEG-GFCCVEGCSA-N 1 1 379.917 2.357 20 0 GEADMO CSC[C@H](O)CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000187675515 532345116 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OC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CCC1(F)F ZINC000463223304 532369796 /nfs/dbraw/zinc/36/97/96/532369796.db2.gz PSBLBDFPTDRHJR-AAEUAGOBSA-N 1 1 380.229 2.138 20 0 GEADMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000463282109 532371062 /nfs/dbraw/zinc/37/10/62/532371062.db2.gz KBKUCWDFGFBRPU-INIZCTEOSA-N 1 1 388.258 2.360 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000590400848 532371725 /nfs/dbraw/zinc/37/17/25/532371725.db2.gz ULJPKPWTKOGNGT-NSHDSACASA-N 1 1 398.859 2.331 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1-n1cc(Br)cn1 ZINC000294638691 532371865 /nfs/dbraw/zinc/37/18/65/532371865.db2.gz UVSUZKPPKDASHB-LBPRGKRZSA-N 1 1 390.285 2.244 20 0 GEADMO Cn1ncc(Br)c1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000294773211 532380393 /nfs/dbraw/zinc/38/03/93/532380393.db2.gz GDNGWWILGYUBIB-UHFFFAOYSA-N 1 1 383.315 2.245 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000647709425 532380893 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Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286342874 532741881 /nfs/dbraw/zinc/74/18/81/532741881.db2.gz FFXKGSNFTRJXSN-WCQYABFASA-N 1 1 375.416 2.100 20 0 GEADMO O=C(Cc1cc(Br)ccc1F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676358287 532741948 /nfs/dbraw/zinc/74/19/48/532741948.db2.gz MFZKIWRBTIEVGC-HNNXBMFYSA-N 1 1 385.277 2.454 20 0 GEADMO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000286583672 532755869 /nfs/dbraw/zinc/75/58/69/532755869.db2.gz VFBQLUDDEPCVDJ-XUJVJEKNSA-N 1 1 394.313 2.368 20 0 GEADMO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1O ZINC000541554261 532756437 /nfs/dbraw/zinc/75/64/37/532756437.db2.gz YBPFMABEFCQMPC-NSHDSACASA-N 1 1 378.288 2.220 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000268167775 532756982 /nfs/dbraw/zinc/75/69/82/532756982.db2.gz LAVAHDUJCNNSEH-XHDPSFHLSA-N 1 1 380.286 2.295 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000268173566 532757362 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/nfs/dbraw/zinc/93/18/66/532931866.db2.gz RJARVAQJBKCICR-DYVFJYSZSA-N 1 1 387.933 2.161 20 0 GEADMO Cc1csc([C@@](O)(CC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C(F)(F)F)n1 ZINC000293882433 532932877 /nfs/dbraw/zinc/93/28/77/532932877.db2.gz MESCPVSONVYZOC-GJZGRUSLSA-N 1 1 377.432 2.146 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000293896259 532932891 /nfs/dbraw/zinc/93/28/91/532932891.db2.gz WFKNDTCPMZGSAW-UHFFFAOYSA-N 1 1 393.285 2.038 20 0 GEADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cnn4cc(Br)cnc34)C2)C1 ZINC000293909265 532933220 /nfs/dbraw/zinc/93/32/20/532933220.db2.gz HRKQTZHNVUZKGT-INIZCTEOSA-N 1 1 378.274 2.050 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cnn(CC(F)F)c1 ZINC000368800962 532934631 /nfs/dbraw/zinc/93/46/31/532934631.db2.gz UIDYBBIRLCMOPT-CYBMUJFWSA-N 1 1 376.473 2.224 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000294022080 532934786 /nfs/dbraw/zinc/93/47/86/532934786.db2.gz ZKGRLPDYANPFBR-UONOGXRCSA-N 1 1 397.269 2.113 20 0 GEADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275814 532937663 /nfs/dbraw/zinc/93/76/63/532937663.db2.gz YXNWJARUXJMLCC-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275814 532937665 /nfs/dbraw/zinc/93/76/65/532937665.db2.gz YXNWJARUXJMLCC-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275221 532937871 /nfs/dbraw/zinc/93/78/71/532937871.db2.gz WNYWATBQLDOYTA-AWEZNQCLSA-N 1 1 398.320 2.415 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275221 532937872 /nfs/dbraw/zinc/93/78/72/532937872.db2.gz WNYWATBQLDOYTA-AWEZNQCLSA-N 1 1 398.320 2.415 20 0 GEADMO COC(=O)c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000368961865 532936060 /nfs/dbraw/zinc/93/60/60/532936060.db2.gz MUWMAZZFHHMZRT-HUUCEWRRSA-N 1 1 383.286 2.189 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000294348343 532938110 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2.481 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Br)ncc1Cl ZINC000370397815 532943278 /nfs/dbraw/zinc/94/32/78/532943278.db2.gz OFUGTJKRWUREQM-MNOVXSKESA-N 1 1 388.693 2.481 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369843406 532941147 /nfs/dbraw/zinc/94/11/47/532941147.db2.gz UXUHOAOHKAACMA-HNNXBMFYSA-N 1 1 384.322 2.476 20 0 GEADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000369945413 532941381 /nfs/dbraw/zinc/94/13/81/532941381.db2.gz WJGSNXHHKUSKFP-HUUCEWRRSA-N 1 1 386.279 2.254 20 0 GEADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000369945413 532941382 /nfs/dbraw/zinc/94/13/82/532941382.db2.gz WJGSNXHHKUSKFP-HUUCEWRRSA-N 1 1 386.279 2.254 20 0 GEADMO O=C1C[C@H]([N@H+]2CC[C@H]([C@@H]3CCOC3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000370070545 532941972 /nfs/dbraw/zinc/94/19/72/532941972.db2.gz BIJXHCGUXZLDJR-ZENOOKHLSA-N 1 1 393.281 2.439 20 0 GEADMO O=C1C[C@H]([N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000370070542 532942066 /nfs/dbraw/zinc/94/20/66/532942066.db2.gz BIJXHCGUXZLDJR-IOASZLSFSA-N 1 1 393.281 2.439 20 0 GEADMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000370825138 532945547 /nfs/dbraw/zinc/94/55/47/532945547.db2.gz XFFRBNNGPZZGOU-AWEZNQCLSA-N 1 1 394.269 2.001 20 0 GEADMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000370825138 532945548 /nfs/dbraw/zinc/94/55/48/532945548.db2.gz XFFRBNNGPZZGOU-AWEZNQCLSA-N 1 1 394.269 2.001 20 0 GEADMO CN(C(=O)c1ccncc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370573973 532944370 /nfs/dbraw/zinc/94/43/70/532944370.db2.gz NQQACYYEHWLQDP-AWEZNQCLSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccncc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370573973 532944371 /nfs/dbraw/zinc/94/43/71/532944371.db2.gz NQQACYYEHWLQDP-AWEZNQCLSA-N 1 1 381.318 2.085 20 0 GEADMO Cc1cc(S(=O)(=O)NC2CCN(c3[nH+]ccn3C)CC2)c(Cl)cc1F ZINC000370623181 532944589 /nfs/dbraw/zinc/94/45/89/532944589.db2.gz WBZQKILPNZLHAW-UHFFFAOYSA-N 1 1 386.880 2.468 20 0 GEADMO NC(=O)[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000371398444 532947905 /nfs/dbraw/zinc/94/79/05/532947905.db2.gz STNADUWKIATMBG-SGIREYDYSA-N 1 1 387.249 2.042 20 0 GEADMO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000371424742 532947968 /nfs/dbraw/zinc/94/79/68/532947968.db2.gz PJUFMDPUNYQWJN-MRXNPFEDSA-N 1 1 385.961 2.297 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000371456076 532948238 /nfs/dbraw/zinc/94/82/38/532948238.db2.gz FEMUYJJYRAGYCE-ZFWWWQNUSA-N 1 1 381.318 2.271 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000371505238 532948346 /nfs/dbraw/zinc/94/83/46/532948346.db2.gz IOTACROGGQFLMJ-BXUZGUMPSA-N 1 1 389.315 2.172 20 0 GEADMO CCS(=O)(=O)NCCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371024845 532946563 /nfs/dbraw/zinc/94/65/63/532946563.db2.gz CYKUULZCFQHJHF-KRWDZBQOSA-N 1 1 382.917 2.481 20 0 GEADMO CCS(=O)(=O)NCCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371024845 532946564 /nfs/dbraw/zinc/94/65/64/532946564.db2.gz CYKUULZCFQHJHF-KRWDZBQOSA-N 1 1 382.917 2.481 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC000371150330 532947058 /nfs/dbraw/zinc/94/70/58/532947058.db2.gz DHTZBVOMMTXKMU-UHFFFAOYSA-N 1 1 395.297 2.437 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000371197977 532947253 /nfs/dbraw/zinc/94/72/53/532947253.db2.gz ZKKNYFSVRSRQCK-OAHLLOKOSA-N 1 1 391.269 2.456 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000371197977 532947254 /nfs/dbraw/zinc/94/72/54/532947254.db2.gz ZKKNYFSVRSRQCK-OAHLLOKOSA-N 1 1 391.269 2.456 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000737246417 598829087 /nfs/dbraw/zinc/82/90/87/598829087.db2.gz UBJSFIVYOAHBHP-OAHLLOKOSA-N 1 1 396.430 2.418 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccnc(OC3CCOCC3)c2)[nH+]1 ZINC000737239290 598830535 /nfs/dbraw/zinc/83/05/35/598830535.db2.gz CFIBWLZEPUZIAU-UHFFFAOYSA-N 1 1 381.440 2.443 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000738388290 598833784 /nfs/dbraw/zinc/83/37/84/598833784.db2.gz RYWWHJOCPYZMKX-FXAWDEMLSA-N 1 1 395.463 2.150 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736400884 598836078 /nfs/dbraw/zinc/83/60/78/598836078.db2.gz TWASYSORFQGIAU-GFCCVEGCSA-N 1 1 398.920 2.063 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)C1Cc2ccccc2C1 ZINC000737526080 598852114 /nfs/dbraw/zinc/85/21/14/598852114.db2.gz VSVZBIXRERDHCI-UHFFFAOYSA-N 1 1 386.463 2.490 20 0 GEADMO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000736902081 598862323 /nfs/dbraw/zinc/86/23/23/598862323.db2.gz QWTUDRRXIDMHNI-OHQAAIJDSA-N 1 1 398.511 2.418 20 0 GEADMO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000737964736 598928179 /nfs/dbraw/zinc/92/81/79/598928179.db2.gz YNOHOLAAQDOXKC-LJQANCHMSA-N 1 1 376.464 2.190 20 0 GEADMO OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000738392761 598933926 /nfs/dbraw/zinc/93/39/26/598933926.db2.gz HCOQNHKBTNIALW-WBVHZDCISA-N 1 1 399.886 2.210 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCOC1 ZINC000736535244 598945714 /nfs/dbraw/zinc/94/57/14/598945714.db2.gz RNWNWZXCKFQHDX-LBPRGKRZSA-N 1 1 390.513 2.104 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736566141 598952307 /nfs/dbraw/zinc/95/23/07/598952307.db2.gz XFKFDZPJPWSSSY-WMLDXEAASA-N 1 1 388.541 2.431 20 0 GEADMO COc1ccc(C[N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000737090104 598981805 /nfs/dbraw/zinc/98/18/05/598981805.db2.gz HVSWKNSQBIPVPA-UHFFFAOYSA-N 1 1 399.451 2.403 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCC[C@@H]1c1cncn1C ZINC000737031310 598984311 /nfs/dbraw/zinc/98/43/11/598984311.db2.gz FKEFVSARJPHWSD-OAHLLOKOSA-N 1 1 383.456 2.215 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCCC[C@@H]1c1cncn1C ZINC000737031310 598984312 /nfs/dbraw/zinc/98/43/12/598984312.db2.gz FKEFVSARJPHWSD-OAHLLOKOSA-N 1 1 383.456 2.215 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H](n2nc(C)cc2C)C1 ZINC000737030944 598985853 /nfs/dbraw/zinc/98/58/53/598985853.db2.gz BZNVNAQKVSWEOM-QGZVFWFLSA-N 1 1 397.483 2.405 20 0 GEADMO CCC[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736469155 598989380 /nfs/dbraw/zinc/98/93/80/598989380.db2.gz GNDSPXWURDIXBS-UHOSZYNNSA-N 1 1 398.511 2.008 20 0 GEADMO CCC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736471257 598989397 /nfs/dbraw/zinc/98/93/97/598989397.db2.gz UONDVBQDSOKVMI-CGTJXYLNSA-N 1 1 384.484 2.331 20 0 GEADMO CCC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736471705 598989472 /nfs/dbraw/zinc/98/94/72/598989472.db2.gz UONDVBQDSOKVMI-NXHRZFHOSA-N 1 1 384.484 2.331 20 0 GEADMO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736293856 598993012 /nfs/dbraw/zinc/99/30/12/598993012.db2.gz SAKMXOBVQWYOBM-TXEJJXNPSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736293856 598993013 /nfs/dbraw/zinc/99/30/13/598993013.db2.gz SAKMXOBVQWYOBM-TXEJJXNPSA-N 1 1 390.513 2.245 20 0 GEADMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736456670 599001560 /nfs/dbraw/zinc/00/15/60/599001560.db2.gz GUMGVBPTAJTSFB-MRXNPFEDSA-N 1 1 392.529 2.108 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000669629161 599007339 /nfs/dbraw/zinc/00/73/39/599007339.db2.gz FUVGNUXGWABNIO-VXGBXAGGSA-N 1 1 398.920 2.013 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[C@@H]1C ZINC000736565745 599007833 /nfs/dbraw/zinc/00/78/33/599007833.db2.gz PLUREDHMXXLTCX-RYUDHWBXSA-N 1 1 398.920 2.013 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000736565085 599008051 /nfs/dbraw/zinc/00/80/51/599008051.db2.gz HKGDUCGVAZXXQV-NEPJUHHUSA-N 1 1 398.920 2.013 20 0 GEADMO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736153626 599018056 /nfs/dbraw/zinc/01/80/56/599018056.db2.gz QZVRWRQDXQKRLA-ZIAGYGMSSA-N 1 1 386.456 2.001 20 0 GEADMO Cc1nc([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473623 599073104 /nfs/dbraw/zinc/07/31/04/599073104.db2.gz FBQGSFYQKATMHU-JKSUJKDBSA-N 1 1 397.508 2.346 20 0 GEADMO COc1cc(F)ccc1N1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737053752 599081539 /nfs/dbraw/zinc/08/15/39/599081539.db2.gz LTJOZDQKBKKKCR-UHFFFAOYSA-N 1 1 398.442 2.215 20 0 GEADMO COc1ccc2cc(C[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)ccc2c1 ZINC000737118518 599089210 /nfs/dbraw/zinc/08/92/10/599089210.db2.gz GCBQXDQIXJLGMY-IBGZPJMESA-N 1 1 388.431 2.345 20 0 GEADMO Cc1[nH]c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)cc2c1C ZINC000737199552 599095793 /nfs/dbraw/zinc/09/57/93/599095793.db2.gz NRGPCKYFRDAWQV-GOSISDBHSA-N 1 1 375.436 2.281 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000737546271 599103236 /nfs/dbraw/zinc/10/32/36/599103236.db2.gz CPZZFXBJORDONV-UHFFFAOYSA-N 1 1 394.439 2.274 20 0 GEADMO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736815839 599131031 /nfs/dbraw/zinc/13/10/31/599131031.db2.gz ZHOFKZWIBHUFAR-MRXNPFEDSA-N 1 1 382.399 2.463 20 0 GEADMO C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736815839 599131034 /nfs/dbraw/zinc/13/10/34/599131034.db2.gz ZHOFKZWIBHUFAR-MRXNPFEDSA-N 1 1 382.399 2.463 20 0 GEADMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000819857887 599134648 /nfs/dbraw/zinc/13/46/48/599134648.db2.gz WJIRCPZRPSEASK-LBPRGKRZSA-N 1 1 382.390 2.099 20 0 GEADMO O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876540 599136210 /nfs/dbraw/zinc/13/62/10/599136210.db2.gz RJMUKFVXXAFOAZ-GOSISDBHSA-N 1 1 376.464 2.048 20 0 GEADMO O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876546 599136543 /nfs/dbraw/zinc/13/65/43/599136543.db2.gz RJMUKFVXXAFOAZ-SFHVURJKSA-N 1 1 376.464 2.048 20 0 GEADMO Fc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(-c2nn[nH]n2)c1 ZINC000737647328 599140266 /nfs/dbraw/zinc/14/02/66/599140266.db2.gz BVSDZXCKBQQPGP-UHFFFAOYSA-N 1 1 396.455 2.333 20 0 GEADMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000735559204 599174390 /nfs/dbraw/zinc/17/43/90/599174390.db2.gz JXQOBVIYXNATGE-CYBMUJFWSA-N 1 1 384.415 2.344 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614709 599193896 /nfs/dbraw/zinc/19/38/96/599193896.db2.gz RLEBIHVKUXEQSM-LJQANCHMSA-N 1 1 391.479 2.012 20 0 GEADMO COc1cc(C[N@@H+](CCO)C2CC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045673 599208502 /nfs/dbraw/zinc/20/85/02/599208502.db2.gz KUANAVJJVJHXKB-UHFFFAOYSA-N 1 1 395.463 2.411 20 0 GEADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821596658 599215592 /nfs/dbraw/zinc/21/55/92/599215592.db2.gz QWDJEZMDBXJRIU-LJQANCHMSA-N 1 1 390.491 2.390 20 0 GEADMO O=C(COc1cccc(-c2nn[nH]n2)c1)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000737925828 599221808 /nfs/dbraw/zinc/22/18/08/599221808.db2.gz YZVQQHAHNOZHPB-GOSISDBHSA-N 1 1 379.420 2.063 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000735735716 599225907 /nfs/dbraw/zinc/22/59/07/599225907.db2.gz UPBPLQVKESNQCY-GJYPPUQNSA-N 1 1 398.511 2.355 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291196 599225953 /nfs/dbraw/zinc/22/59/53/599225953.db2.gz FGURWYMZUXBJOX-PBHICJAKSA-N 1 1 386.525 2.185 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821161514 599230250 /nfs/dbraw/zinc/23/02/50/599230250.db2.gz YZOCQGIXLZERNV-LLVKDONJSA-N 1 1 379.921 2.491 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736295385 599230619 /nfs/dbraw/zinc/23/06/19/599230619.db2.gz USZHZPHTPXYOFW-QAPCUYQASA-N 1 1 378.484 2.246 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736290834 599235200 /nfs/dbraw/zinc/23/52/00/599235200.db2.gz CKCWUFVMDROWEF-JSGCOSHPSA-N 1 1 389.891 2.017 20 0 GEADMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736618260 599241829 /nfs/dbraw/zinc/24/18/29/599241829.db2.gz JWBKJFDIWUPGCM-LBPRGKRZSA-N 1 1 393.879 2.095 20 0 GEADMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736618260 599241833 /nfs/dbraw/zinc/24/18/33/599241833.db2.gz JWBKJFDIWUPGCM-LBPRGKRZSA-N 1 1 393.879 2.095 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000822860009 607316486 /nfs/dbraw/zinc/31/64/86/607316486.db2.gz LMXZZZCRRUXPDB-SFHVURJKSA-N 1 1 391.479 2.176 20 0 GEADMO Cc1cccc2c(NCc3ccccc3Cn3cncn3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737409459 599270453 /nfs/dbraw/zinc/27/04/53/599270453.db2.gz OMAVSWXCKUAAJU-UHFFFAOYSA-N 1 1 397.446 2.397 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@H+]1C ZINC000820658150 599276464 /nfs/dbraw/zinc/27/64/64/599276464.db2.gz QFUSLOLGYZXKNS-CMPLNLGQSA-N 1 1 395.414 2.415 20 0 GEADMO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000735939949 599288041 /nfs/dbraw/zinc/28/80/41/599288041.db2.gz MBRABRNZBJFDBD-INIZCTEOSA-N 1 1 382.472 2.079 20 0 GEADMO c1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)n[nH]1 ZINC000738407182 599290974 /nfs/dbraw/zinc/29/09/74/599290974.db2.gz YAHAGTOVFOYBLD-AWEZNQCLSA-N 1 1 377.412 2.019 20 0 GEADMO c1cc([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)n[nH]1 ZINC000738407182 599290977 /nfs/dbraw/zinc/29/09/77/599290977.db2.gz YAHAGTOVFOYBLD-AWEZNQCLSA-N 1 1 377.412 2.019 20 0 GEADMO Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cccc1-c1nn[nH]n1 ZINC000822059509 607325289 /nfs/dbraw/zinc/32/52/89/607325289.db2.gz BRVRDVXAABOISC-MRXNPFEDSA-N 1 1 377.452 2.421 20 0 GEADMO CC(C)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794962 598234184 /nfs/dbraw/zinc/23/41/84/598234184.db2.gz JGEHWVHHJBJPLB-UZLBHIALSA-N 1 1 397.483 2.102 20 0 GEADMO CCC1(C)CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736394683 598234789 /nfs/dbraw/zinc/23/47/89/598234789.db2.gz DGMMRJXHMOGQAQ-FQEVSTJZSA-N 1 1 397.483 2.103 20 0 GEADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736481356 598237602 /nfs/dbraw/zinc/23/76/02/598237602.db2.gz OGHOPPPADLLSPT-SFHVURJKSA-N 1 1 384.484 2.111 20 0 GEADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736848273 598239704 /nfs/dbraw/zinc/23/97/04/598239704.db2.gz LFCVAOAPDLDVIX-AWEZNQCLSA-N 1 1 396.451 2.062 20 0 GEADMO COCC[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736994861 598245706 /nfs/dbraw/zinc/24/57/06/598245706.db2.gz MRFINGXZZJSIRF-HHHXNRCGSA-N 1 1 385.493 2.123 20 0 GEADMO COCC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736994861 598245707 /nfs/dbraw/zinc/24/57/07/598245707.db2.gz MRFINGXZZJSIRF-HHHXNRCGSA-N 1 1 385.493 2.123 20 0 GEADMO COc1ccccc1CC[N@@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150317 598247987 /nfs/dbraw/zinc/24/79/87/598247987.db2.gz NTUFVTDHSYINGY-SFHVURJKSA-N 1 1 392.463 2.155 20 0 GEADMO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000738146119 598266232 /nfs/dbraw/zinc/26/62/32/598266232.db2.gz PZAADJXHIFLJMS-LBPRGKRZSA-N 1 1 393.398 2.170 20 0 GEADMO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735504335 598290285 /nfs/dbraw/zinc/29/02/85/598290285.db2.gz NIJHEGDYBKPGIA-INIZCTEOSA-N 1 1 397.527 2.168 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](c2ccccc2)C1 ZINC000736857244 598329340 /nfs/dbraw/zinc/32/93/40/598329340.db2.gz OSRGBPNEBYUODE-GOSISDBHSA-N 1 1 395.442 2.204 20 0 GEADMO C[N@H+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](c2ccccc2)C1 ZINC000736857244 598329342 /nfs/dbraw/zinc/32/93/42/598329342.db2.gz OSRGBPNEBYUODE-GOSISDBHSA-N 1 1 395.442 2.204 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736859741 598346526 /nfs/dbraw/zinc/34/65/26/598346526.db2.gz IPNYGZAOZHYTNQ-IAGOWNOFSA-N 1 1 386.525 2.185 20 0 GEADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706730 598346985 /nfs/dbraw/zinc/34/69/85/598346985.db2.gz VONRYKRKRCYJQX-KRWDZBQOSA-N 1 1 379.468 2.422 20 0 GEADMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737441749 598355516 /nfs/dbraw/zinc/35/55/16/598355516.db2.gz AWXRKRXIQOCRBK-KRWDZBQOSA-N 1 1 380.456 2.037 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736573163 598358023 /nfs/dbraw/zinc/35/80/23/598358023.db2.gz XSWGWSSQIYDWRY-INIZCTEOSA-N 1 1 396.451 2.253 20 0 GEADMO Cc1csc(N2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)n1 ZINC000737451882 598364396 /nfs/dbraw/zinc/36/43/96/598364396.db2.gz DUVBCBAPYVIGHL-AWEZNQCLSA-N 1 1 385.497 2.221 20 0 GEADMO C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736291004 598364854 /nfs/dbraw/zinc/36/48/54/598364854.db2.gz TVVZPCDKXVLTLZ-QRWLVFNGSA-N 1 1 396.470 2.246 20 0 GEADMO C[N@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736829081 598366263 /nfs/dbraw/zinc/36/62/63/598366263.db2.gz WHIWYXDBGAQKQU-KRWDZBQOSA-N 1 1 384.509 2.434 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737477195 598367543 /nfs/dbraw/zinc/36/75/43/598367543.db2.gz KZQLIRPIVGDFBT-UHFFFAOYSA-N 1 1 397.483 2.058 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737878368 598373116 /nfs/dbraw/zinc/37/31/16/598373116.db2.gz YTNOZIIQXHOPJT-LJQANCHMSA-N 1 1 390.491 2.438 20 0 GEADMO O=C(C[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737883702 598374762 /nfs/dbraw/zinc/37/47/62/598374762.db2.gz ILDDUBFDAMUCNR-UHFFFAOYSA-N 1 1 398.854 2.265 20 0 GEADMO O=C(C[N@@H+]1CCc2ccc(O)cc2CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737883702 598374765 /nfs/dbraw/zinc/37/47/65/598374765.db2.gz ILDDUBFDAMUCNR-UHFFFAOYSA-N 1 1 398.854 2.265 20 0 GEADMO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737874878 598418548 /nfs/dbraw/zinc/41/85/48/598418548.db2.gz DMZCNYCDCARRMH-MRXNPFEDSA-N 1 1 380.427 2.112 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737874878 598418550 /nfs/dbraw/zinc/41/85/50/598418550.db2.gz DMZCNYCDCARRMH-MRXNPFEDSA-N 1 1 380.427 2.112 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000736321884 598428441 /nfs/dbraw/zinc/42/84/41/598428441.db2.gz GHNITSBYOZNSRJ-CQSZACIVSA-N 1 1 391.545 2.129 20 0 GEADMO CN(CC[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736792160 598469908 /nfs/dbraw/zinc/46/99/08/598469908.db2.gz KMNNKGMKAQYPKC-UHFFFAOYSA-N 1 1 379.468 2.264 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035842 598478812 /nfs/dbraw/zinc/47/88/12/598478812.db2.gz NAGRJYNZXVNJEG-ZWKOTPCHSA-N 1 1 381.484 2.168 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736857462 598497044 /nfs/dbraw/zinc/49/70/44/598497044.db2.gz NXSIPCPSNMCJKQ-CQSZACIVSA-N 1 1 396.451 2.110 20 0 GEADMO Clc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(-c2nn[nH]n2)c1 ZINC000737573452 598508179 /nfs/dbraw/zinc/50/81/79/598508179.db2.gz ICMWDELTQUKJLD-MRXNPFEDSA-N 1 1 380.905 2.140 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146653 598526053 /nfs/dbraw/zinc/52/60/53/598526053.db2.gz IOYPOLWGMOIGBB-VQIMIIECSA-N 1 1 395.463 2.452 20 0 GEADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738024209 598556710 /nfs/dbraw/zinc/55/67/10/598556710.db2.gz JMIHYNWYBHKZTA-AWEZNQCLSA-N 1 1 394.435 2.005 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000735734901 598613446 /nfs/dbraw/zinc/61/34/46/598613446.db2.gz PREDSCRWFHTISO-LMMKCTJWSA-N 1 1 398.511 2.355 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000735734899 598613544 /nfs/dbraw/zinc/61/35/44/598613544.db2.gz PREDSCRWFHTISO-AOIWGVFYSA-N 1 1 398.511 2.355 20 0 GEADMO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+]1CCCC1(C)C ZINC000736989041 598614306 /nfs/dbraw/zinc/61/43/06/598614306.db2.gz ZUCQZRFQZLGGLM-UHFFFAOYSA-N 1 1 389.504 2.134 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736099361 598623823 /nfs/dbraw/zinc/62/38/23/598623823.db2.gz UYPBMSYJYJYIMW-GJZGRUSLSA-N 1 1 376.464 2.491 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736099361 598623825 /nfs/dbraw/zinc/62/38/25/598623825.db2.gz UYPBMSYJYJYIMW-GJZGRUSLSA-N 1 1 376.464 2.491 20 0 GEADMO CCc1nnc([C@@H](C)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000736708744 598636135 /nfs/dbraw/zinc/63/61/35/598636135.db2.gz ZVKWPCSMVKVWOS-CQSZACIVSA-N 1 1 382.472 2.081 20 0 GEADMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736511112 598678483 /nfs/dbraw/zinc/67/84/83/598678483.db2.gz OKHHVPUREMUZBN-UHFFFAOYSA-N 1 1 386.406 2.283 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736268276 598682554 /nfs/dbraw/zinc/68/25/54/598682554.db2.gz RXCXWQRICYGAAJ-MRXNPFEDSA-N 1 1 386.500 2.406 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000736481131 598683441 /nfs/dbraw/zinc/68/34/41/598683441.db2.gz TYFHVKINMCJDCV-UHFFFAOYSA-N 1 1 386.500 2.108 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000737833397 598685930 /nfs/dbraw/zinc/68/59/30/598685930.db2.gz QVDFGOVFYUQJIK-HNNXBMFYSA-N 1 1 384.484 2.016 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000737833635 598686057 /nfs/dbraw/zinc/68/60/57/598686057.db2.gz ZBLACTRMHXTEBK-DLBZAZTESA-N 1 1 384.484 2.159 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000737833676 598690728 /nfs/dbraw/zinc/69/07/28/598690728.db2.gz ZXZFKFZIAIDGBO-QGZVFWFLSA-N 1 1 384.484 2.016 20 0 GEADMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408925 598706759 /nfs/dbraw/zinc/70/67/59/598706759.db2.gz LBOQAFSRBAEZLH-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000737489598 598707805 /nfs/dbraw/zinc/70/78/05/598707805.db2.gz ZQFBMHSJKVPBEJ-INIZCTEOSA-N 1 1 397.508 2.257 20 0 GEADMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000737489598 598707807 /nfs/dbraw/zinc/70/78/07/598707807.db2.gz ZQFBMHSJKVPBEJ-INIZCTEOSA-N 1 1 397.508 2.257 20 0 GEADMO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000736595161 598760690 /nfs/dbraw/zinc/76/06/90/598760690.db2.gz IGWBSEUJZPLYJN-UHFFFAOYSA-N 1 1 394.863 2.122 20 0 GEADMO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000736595161 598760692 /nfs/dbraw/zinc/76/06/92/598760692.db2.gz IGWBSEUJZPLYJN-UHFFFAOYSA-N 1 1 394.863 2.122 20 0 GEADMO O=C(CC[N@H+]1CC[C@H](CNc2ccccn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838200 598762940 /nfs/dbraw/zinc/76/29/40/598762940.db2.gz KIIXDVPJUCEQFS-CYBMUJFWSA-N 1 1 398.496 2.086 20 0 GEADMO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736425661 598764913 /nfs/dbraw/zinc/76/49/13/598764913.db2.gz WOSKCFLQPDRFDG-GJZGRUSLSA-N 1 1 386.500 2.403 20 0 GEADMO C[C@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736295815 598787441 /nfs/dbraw/zinc/78/74/41/598787441.db2.gz YMGRUZWFGSKMKY-KSSFIOAISA-N 1 1 382.443 2.250 20 0 GEADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735585862 598796405 /nfs/dbraw/zinc/79/64/05/598796405.db2.gz HCHIMCAFTFDLKQ-HNNXBMFYSA-N 1 1 386.500 2.120 20 0 GEADMO C[N@@H+](CCN1CCN(c2ccccc2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000736799739 598797656 /nfs/dbraw/zinc/79/76/56/598797656.db2.gz XMLRMWCDSHGFEE-UHFFFAOYSA-N 1 1 377.496 2.121 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736850118 598814732 /nfs/dbraw/zinc/81/47/32/598814732.db2.gz ZQIZGKBFUGSBJD-CQSZACIVSA-N 1 1 378.436 2.341 20 0 GEADMO COc1ccc([C@@H](CO)[N@@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737076908 598820932 /nfs/dbraw/zinc/82/09/32/598820932.db2.gz SYTQNLVAMKISGP-LJQANCHMSA-N 1 1 383.452 2.310 20 0 GEADMO C[C@@H]1CC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820684084 599311076 /nfs/dbraw/zinc/31/10/76/599311076.db2.gz LWVPQBPBUJWLLM-APWZRJJASA-N 1 1 398.511 2.249 20 0 GEADMO CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407716 599317075 /nfs/dbraw/zinc/31/70/75/599317075.db2.gz QBTPRPJDPMXWAN-VQIMIIECSA-N 1 1 380.500 2.221 20 0 GEADMO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407716 599317077 /nfs/dbraw/zinc/31/70/77/599317077.db2.gz QBTPRPJDPMXWAN-VQIMIIECSA-N 1 1 380.500 2.221 20 0 GEADMO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407716 599317078 /nfs/dbraw/zinc/31/70/78/599317078.db2.gz QBTPRPJDPMXWAN-VQIMIIECSA-N 1 1 380.500 2.221 20 0 GEADMO Cc1nc(CN2CCC[C@@H]([N@H+](C)[C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477170 599317915 /nfs/dbraw/zinc/31/79/15/599317915.db2.gz KQFUHVRQSJZIEJ-CXAGYDPISA-N 1 1 382.472 2.216 20 0 GEADMO O[C@@H]1CCC[C@@H]1CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000738390191 599325343 /nfs/dbraw/zinc/32/53/43/599325343.db2.gz QAORAOXUHIADEF-YMTOWFKASA-N 1 1 376.367 2.011 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000822505690 599329866 /nfs/dbraw/zinc/32/98/66/599329866.db2.gz RIZRIJLCJSHPFR-MRXNPFEDSA-N 1 1 384.513 2.465 20 0 GEADMO CC(C)[C@@H](CO)[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710760 599355027 /nfs/dbraw/zinc/35/50/27/599355027.db2.gz OHCOYTMUIHFQNU-LJQANCHMSA-N 1 1 394.479 2.324 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820708946 599417939 /nfs/dbraw/zinc/41/79/39/599417939.db2.gz AKPHIXWCPKEDJT-CQSZACIVSA-N 1 1 389.479 2.317 20 0 GEADMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365499 599422487 /nfs/dbraw/zinc/42/24/87/599422487.db2.gz KLNBYXQHZWSRSW-HNNXBMFYSA-N 1 1 379.468 2.359 20 0 GEADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736801676 599448796 /nfs/dbraw/zinc/44/87/96/599448796.db2.gz SWEAVGVEMSUTNA-UHFFFAOYSA-N 1 1 385.472 2.466 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCNC(=O)c3cccs3)c2c1 ZINC000822196517 599482675 /nfs/dbraw/zinc/48/26/75/599482675.db2.gz MBGWZVIAUJGLDU-UHFFFAOYSA-N 1 1 393.476 2.357 20 0 GEADMO Cc1cccc(C(=O)NCCNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)c1 ZINC000822284243 599488593 /nfs/dbraw/zinc/48/85/93/599488593.db2.gz MTUMGDBMDNVTTB-UHFFFAOYSA-N 1 1 387.447 2.296 20 0 GEADMO Cc1cccc2c(NCCC(=O)N3CCCCCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334747 599509540 /nfs/dbraw/zinc/50/95/40/599509540.db2.gz FXGMGSXFFVENQK-UHFFFAOYSA-N 1 1 379.468 2.350 20 0 GEADMO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820768610 599530914 /nfs/dbraw/zinc/53/09/14/599530914.db2.gz OTTVOOVISKBOMS-IFXJQAMLSA-N 1 1 382.443 2.250 20 0 GEADMO CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C[C@H]1C ZINC000821378170 599533704 /nfs/dbraw/zinc/53/37/04/599533704.db2.gz KIMZWEUEENZMEW-OAHLLOKOSA-N 1 1 381.484 2.270 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821625647 599544361 /nfs/dbraw/zinc/54/43/61/599544361.db2.gz SPAKANKFHCHQBI-INIZCTEOSA-N 1 1 392.511 2.021 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224830 599554433 /nfs/dbraw/zinc/55/44/33/599554433.db2.gz BDYHUOLLCRBYQW-YJBOKZPZSA-N 1 1 391.479 2.387 20 0 GEADMO O[C@@H]1CCC[C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000823698285 599574621 /nfs/dbraw/zinc/57/46/21/599574621.db2.gz OYUJPWWXERZSKF-GHMZBOCLSA-N 1 1 390.394 2.401 20 0 GEADMO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000820479662 599577809 /nfs/dbraw/zinc/57/78/09/599577809.db2.gz AMBUBRDMCACCTL-CQSZACIVSA-N 1 1 391.435 2.300 20 0 GEADMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000820479662 599577813 /nfs/dbraw/zinc/57/78/13/599577813.db2.gz AMBUBRDMCACCTL-CQSZACIVSA-N 1 1 391.435 2.300 20 0 GEADMO CCc1nc(CN2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000736704318 599581256 /nfs/dbraw/zinc/58/12/56/599581256.db2.gz LYTZGDQJXUBIKG-UHFFFAOYSA-N 1 1 399.524 2.082 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000819939562 599588114 /nfs/dbraw/zinc/58/81/14/599588114.db2.gz GIDMXTCPADFMRT-AWEZNQCLSA-N 1 1 376.436 2.495 20 0 GEADMO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844923 599590210 /nfs/dbraw/zinc/59/02/10/599590210.db2.gz XBPOICRCJNIBKH-GOSISDBHSA-N 1 1 383.500 2.146 20 0 GEADMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302930 599591360 /nfs/dbraw/zinc/59/13/60/599591360.db2.gz IPZNXNGVMRBJJL-GUYCJALGSA-N 1 1 383.427 2.365 20 0 GEADMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737149011 599591920 /nfs/dbraw/zinc/59/19/20/599591920.db2.gz UTLWQBFNPQXKBR-HNNXBMFYSA-N 1 1 378.436 2.303 20 0 GEADMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737149011 599591921 /nfs/dbraw/zinc/59/19/21/599591921.db2.gz UTLWQBFNPQXKBR-HNNXBMFYSA-N 1 1 378.436 2.303 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738027329 599615200 /nfs/dbraw/zinc/61/52/00/599615200.db2.gz ZJLGWJJTABNCRG-QGZVFWFLSA-N 1 1 381.484 2.025 20 0 GEADMO O=C(CC[N@@H+]1CCC[C@H]1CN1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964615 599637897 /nfs/dbraw/zinc/63/78/97/599637897.db2.gz LTYZXKPVLQVWNI-SFHVURJKSA-N 1 1 383.500 2.146 20 0 GEADMO O=C(CC[N@H+]1CCC[C@H]1CN1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964615 599637898 /nfs/dbraw/zinc/63/78/98/599637898.db2.gz LTYZXKPVLQVWNI-SFHVURJKSA-N 1 1 383.500 2.146 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165797 599644245 /nfs/dbraw/zinc/64/42/45/599644245.db2.gz WEDUXRJBZDTGRP-GOSISDBHSA-N 1 1 380.452 2.169 20 0 GEADMO CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165797 599644246 /nfs/dbraw/zinc/64/42/46/599644246.db2.gz WEDUXRJBZDTGRP-GOSISDBHSA-N 1 1 380.452 2.169 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820686425 599662978 /nfs/dbraw/zinc/66/29/78/599662978.db2.gz XQCCEFAGFZEVMV-FRRDWIJNSA-N 1 1 397.439 2.221 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000820686425 599662979 /nfs/dbraw/zinc/66/29/79/599662979.db2.gz XQCCEFAGFZEVMV-FRRDWIJNSA-N 1 1 397.439 2.221 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820704936 599666942 /nfs/dbraw/zinc/66/69/42/599666942.db2.gz QTSHOFKVJVIYSO-CYBMUJFWSA-N 1 1 375.452 2.070 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000821702277 599684432 /nfs/dbraw/zinc/68/44/32/599684432.db2.gz OCCKNSWCZCIORB-SJORKVTESA-N 1 1 386.500 2.201 20 0 GEADMO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000820542213 599692338 /nfs/dbraw/zinc/69/23/38/599692338.db2.gz MFJGQEZZOBUSJC-OAHLLOKOSA-N 1 1 384.484 2.111 20 0 GEADMO Cc1sc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C(=O)[O-])c1C ZINC000738397213 599963341 /nfs/dbraw/zinc/96/33/41/599963341.db2.gz CVGMHZBKFGSCMF-LBPRGKRZSA-N 1 1 397.541 2.026 20 0 GEADMO Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)c1 ZINC000738797805 600096057 /nfs/dbraw/zinc/09/60/57/600096057.db2.gz JCDYTLPEQOOCMU-YQYFLZKSSA-N 1 1 390.509 2.015 20 0 GEADMO Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)c1 ZINC000738797805 600096059 /nfs/dbraw/zinc/09/60/59/600096059.db2.gz JCDYTLPEQOOCMU-YQYFLZKSSA-N 1 1 390.509 2.015 20 0 GEADMO O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000164657297 600128966 /nfs/dbraw/zinc/12/89/66/600128966.db2.gz BEDKKZBXLRBPNV-HXUWFJFHSA-N 1 1 395.503 2.281 20 0 GEADMO O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000164657297 600128971 /nfs/dbraw/zinc/12/89/71/600128971.db2.gz BEDKKZBXLRBPNV-HXUWFJFHSA-N 1 1 395.503 2.281 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccc(F)cc3)c2)C1 ZINC000739151191 600435978 /nfs/dbraw/zinc/43/59/78/600435978.db2.gz AIJBINBWTJSUDI-ICSRJNTNSA-N 1 1 399.466 2.439 20 0 GEADMO CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])CC1 ZINC000736577386 600441590 /nfs/dbraw/zinc/44/15/90/600441590.db2.gz BNZQMYCHRQZEHD-KRWDZBQOSA-N 1 1 375.513 2.198 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825193517 607456826 /nfs/dbraw/zinc/45/68/26/607456826.db2.gz MFFAYZVZNCYMIY-KRWDZBQOSA-N 1 1 383.500 2.420 20 0 GEADMO Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000738389637 600800078 /nfs/dbraw/zinc/80/00/78/600800078.db2.gz RPJQCOZBNOTKFT-HSZRJFAPSA-N 1 1 398.503 2.493 20 0 GEADMO Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000738389637 600800081 /nfs/dbraw/zinc/80/00/81/600800081.db2.gz RPJQCOZBNOTKFT-HSZRJFAPSA-N 1 1 398.503 2.493 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[C@H](CO)C(C)(C)C ZINC000825914357 607473361 /nfs/dbraw/zinc/47/33/61/607473361.db2.gz AXJNKFKYPJFGOH-CYBMUJFWSA-N 1 1 392.529 2.084 20 0 GEADMO CC[C@@H](O)C[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000825152821 607473401 /nfs/dbraw/zinc/47/34/01/607473401.db2.gz CMLYUFLSSYXWDI-CQSZACIVSA-N 1 1 386.481 2.140 20 0 GEADMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000825152821 607473403 /nfs/dbraw/zinc/47/34/03/607473403.db2.gz CMLYUFLSSYXWDI-CQSZACIVSA-N 1 1 386.481 2.140 20 0 GEADMO OCCC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826510032 607474098 /nfs/dbraw/zinc/47/40/98/607474098.db2.gz VBPQCKBDJDDCAQ-GOSISDBHSA-N 1 1 387.871 2.438 20 0 GEADMO CS[C@H]1CCCC[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000826227332 607475280 /nfs/dbraw/zinc/47/52/80/607475280.db2.gz PHWSUQRMGGQZSB-WCQYABFASA-N 1 1 378.527 2.251 20 0 GEADMO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCCC1 ZINC000822912269 607478398 /nfs/dbraw/zinc/47/83/98/607478398.db2.gz ULHWHOOOAXCLDF-LJQANCHMSA-N 1 1 394.454 2.329 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829765150 601053178 /nfs/dbraw/zinc/05/31/78/601053178.db2.gz KJBPITWQUQZZCH-SFHVURJKSA-N 1 1 391.516 2.334 20 0 GEADMO CC(C)C[C@@H](NC(=O)[O-])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826792916 601207781 /nfs/dbraw/zinc/20/77/81/601207781.db2.gz ICMLOJDUHFSYRL-LJQANCHMSA-N 1 1 396.576 2.323 20 0 GEADMO COc1ccc(C[N@@H+]2CCN(c3nc(C)cs3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195594 607498024 /nfs/dbraw/zinc/49/80/24/607498024.db2.gz YYIYQOGGNYZOOF-CYBMUJFWSA-N 1 1 385.497 2.351 20 0 GEADMO COc1ccc(C[N@H+]2CCN(c3nc(C)cs3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195594 607498025 /nfs/dbraw/zinc/49/80/25/607498025.db2.gz YYIYQOGGNYZOOF-CYBMUJFWSA-N 1 1 385.497 2.351 20 0 GEADMO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000820518918 607501614 /nfs/dbraw/zinc/50/16/14/607501614.db2.gz NMXKVCQBMSVGMP-GMBSWORKSA-N 1 1 396.495 2.109 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000824262235 607509557 /nfs/dbraw/zinc/50/95/57/607509557.db2.gz YNWGNFHMZRICEP-CVEARBPZSA-N 1 1 386.500 2.118 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000824262241 607509678 /nfs/dbraw/zinc/50/96/78/607509678.db2.gz YNWGNFHMZRICEP-JKSUJKDBSA-N 1 1 386.500 2.118 20 0 GEADMO C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C(=O)[O-] ZINC000263124707 601550617 /nfs/dbraw/zinc/55/06/17/601550617.db2.gz CNWGZTKMTCBWNQ-KYJSFNMBSA-N 1 1 393.915 2.246 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C(=O)[O-] ZINC000263124707 601550619 /nfs/dbraw/zinc/55/06/19/601550619.db2.gz CNWGZTKMTCBWNQ-KYJSFNMBSA-N 1 1 393.915 2.246 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000826183182 607518088 /nfs/dbraw/zinc/51/80/88/607518088.db2.gz HURDAUPVWYVHRW-UHFFFAOYSA-N 1 1 398.511 2.490 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000826183182 607518089 /nfs/dbraw/zinc/51/80/89/607518089.db2.gz HURDAUPVWYVHRW-UHFFFAOYSA-N 1 1 398.511 2.490 20 0 GEADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825284916 607518903 /nfs/dbraw/zinc/51/89/03/607518903.db2.gz CNNQQSHGGFSHHR-GDBMZVCRSA-N 1 1 386.500 2.392 20 0 GEADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825234304 607522027 /nfs/dbraw/zinc/52/20/27/607522027.db2.gz YKFLYHDKUIHUTM-GOEBONIOSA-N 1 1 386.500 2.392 20 0 GEADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000824505484 607523152 /nfs/dbraw/zinc/52/31/52/607523152.db2.gz DXTLKHAHDYZGGL-ZFWWWQNUSA-N 1 1 387.488 2.387 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826182620 607524600 /nfs/dbraw/zinc/52/46/00/607524600.db2.gz PHMNBQJAMZPQTP-ZDUSSCGKSA-N 1 1 388.472 2.222 20 0 GEADMO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cnc(C(F)(F)F)s1)c1cccs1 ZINC000444003504 649931736 /nfs/dbraw/zinc/93/17/36/649931736.db2.gz OANSDKKKVPWGJM-QMMMGPOBSA-N 1 1 386.442 2.148 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000824047310 607557785 /nfs/dbraw/zinc/55/77/85/607557785.db2.gz ZTACGWAZICPZFZ-UPJWGTAASA-N 1 1 390.875 2.206 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825193808 607614796 /nfs/dbraw/zinc/61/47/96/607614796.db2.gz NWVFFBMGNIEUQE-LBPRGKRZSA-N 1 1 398.920 2.063 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826034886 607650597 /nfs/dbraw/zinc/65/05/97/607650597.db2.gz YJXFXAASAMJURI-ZDUSSCGKSA-N 1 1 398.920 2.015 20 0 GEADMO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000826248504 607662171 /nfs/dbraw/zinc/66/21/71/607662171.db2.gz LXOAHUPHXLPVNY-UHFFFAOYSA-N 1 1 376.464 2.353 20 0 GEADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826433437 607684988 /nfs/dbraw/zinc/68/49/88/607684988.db2.gz GMAQFDSJAGJSNX-INIZCTEOSA-N 1 1 385.859 2.415 20 0 GEADMO C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCN(C(=O)[O-])CC1 ZINC000824711544 604744670 /nfs/dbraw/zinc/74/46/70/604744670.db2.gz YTZOOZLDVIUVMY-OAHLLOKOSA-N 1 1 389.500 2.188 20 0 GEADMO C[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1ccc(Br)s1 ZINC000444757398 649951834 /nfs/dbraw/zinc/95/18/34/649951834.db2.gz KMMYKHOSJBTOTO-VIFPVBQESA-N 1 1 376.320 2.192 20 0 GEADMO COCC[N@@H+](CCOc1cccc(OC)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158475 607740072 /nfs/dbraw/zinc/74/00/72/607740072.db2.gz QWUWLYXHKHNDIK-UHFFFAOYSA-N 1 1 383.452 2.403 20 0 GEADMO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826470941 607746537 /nfs/dbraw/zinc/74/65/37/607746537.db2.gz JAHVYTAPXJJFLF-OAQYLSRUSA-N 1 1 391.479 2.323 20 0 GEADMO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826471357 607754826 /nfs/dbraw/zinc/75/48/26/607754826.db2.gz WFPBGSPRAUTPOC-VQIMIIECSA-N 1 1 391.479 2.322 20 0 GEADMO O=C([O-])N1CCC([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccc(F)cc2)CC1 ZINC000834072725 605982519 /nfs/dbraw/zinc/98/25/19/605982519.db2.gz DEAMTGNLYVSSEN-RBUKOAKNSA-N 1 1 379.476 2.303 20 0 GEADMO CC[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H](C)c1cccc(O)c1 ZINC000821169932 606070460 /nfs/dbraw/zinc/07/04/60/606070460.db2.gz JCVIBPXIYIWWMR-KDOFPFPSSA-N 1 1 383.452 2.395 20 0 GEADMO CC[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000821169933 606070995 /nfs/dbraw/zinc/07/09/95/606070995.db2.gz JCVIBPXIYIWWMR-KSSFIOAISA-N 1 1 383.452 2.395 20 0 GEADMO c1c[nH]c([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)n1 ZINC000823738371 606079851 /nfs/dbraw/zinc/07/98/51/606079851.db2.gz SLEUVCAXZFBFGZ-CQSZACIVSA-N 1 1 377.412 2.019 20 0 GEADMO C[C@H](CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000820241914 606103307 /nfs/dbraw/zinc/10/33/07/606103307.db2.gz JWILPWASAIORJU-MRXNPFEDSA-N 1 1 394.479 2.272 20 0 GEADMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822694078 606113460 /nfs/dbraw/zinc/11/34/60/606113460.db2.gz UKUYDMDPHHUOEB-GOSISDBHSA-N 1 1 379.468 2.049 20 0 GEADMO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822694078 606113462 /nfs/dbraw/zinc/11/34/62/606113462.db2.gz UKUYDMDPHHUOEB-GOSISDBHSA-N 1 1 379.468 2.049 20 0 GEADMO Cc1sc(NC(=O)C[N@H+]2CCCC3(CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000822557604 606113643 /nfs/dbraw/zinc/11/36/43/606113643.db2.gz JDAWTUDYCZNPEG-UHFFFAOYSA-N 1 1 390.513 2.376 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822997862 606186277 /nfs/dbraw/zinc/18/62/77/606186277.db2.gz WIKOPKYNSHCIEW-HZPDHXFCSA-N 1 1 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ZINC000826308401 608460740 /nfs/dbraw/zinc/46/07/40/608460740.db2.gz XUCVBGWFWKPPOW-UHFFFAOYSA-N 1 1 399.458 2.472 20 0 GEADMO Cc1cc(NC(=O)CC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000826269141 608462731 /nfs/dbraw/zinc/46/27/31/608462731.db2.gz BLOGDFXDENYCGS-UHFFFAOYSA-N 1 1 379.424 2.281 20 0 GEADMO O=c1c2ccccc2ncn1CC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826501511 608464402 /nfs/dbraw/zinc/46/44/02/608464402.db2.gz UBYIHKLGFJLOMJ-UHFFFAOYSA-N 1 1 399.458 2.366 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825451150 608472015 /nfs/dbraw/zinc/47/20/15/608472015.db2.gz GLLJICNNIUFXBZ-OAHLLOKOSA-N 1 1 395.467 2.027 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000825621374 608477758 /nfs/dbraw/zinc/47/77/58/608477758.db2.gz RFTLLZBKYQDSKI-LSDHHAIUSA-N 1 1 385.472 2.356 20 0 GEADMO CC[C@@]1(C)CC(=O)N(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)C1=O ZINC000825164685 608479998 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394.479 2.202 20 0 GEADMO Fc1ccc2oc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)cc2c1 ZINC000826375877 608511669 /nfs/dbraw/zinc/51/16/69/608511669.db2.gz FPFBINPSPAHDQW-UHFFFAOYSA-N 1 1 379.399 2.469 20 0 GEADMO CCN(CC)c1ncc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000825416797 608514578 /nfs/dbraw/zinc/51/45/78/608514578.db2.gz MHPHDFNMSIPHMX-UHFFFAOYSA-N 1 1 398.540 2.492 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000820419678 608526994 /nfs/dbraw/zinc/52/69/94/608526994.db2.gz JFNLLTXSKGDBTK-LLVKDONJSA-N 1 1 393.419 2.269 20 0 GEADMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412406 608538936 /nfs/dbraw/zinc/53/89/36/608538936.db2.gz MYHLSIOBGVHILT-UHFFFAOYSA-N 1 1 398.417 2.430 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNc3nc(-c4nn[nH]n4)ccc3C)CC2)oc1C ZINC000826280544 608544088 /nfs/dbraw/zinc/54/40/88/608544088.db2.gz GBVFPQCUBPLTIY-UHFFFAOYSA-N 1 1 382.472 2.499 20 0 GEADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)nc1 ZINC000826290449 608560050 /nfs/dbraw/zinc/56/00/50/608560050.db2.gz MWUGROTVQOIKGQ-ZDUSSCGKSA-N 1 1 383.481 2.482 20 0 GEADMO COCC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159149 608567395 /nfs/dbraw/zinc/56/73/95/608567395.db2.gz STPJZGOJPFJIHV-UHFFFAOYSA-N 1 1 392.467 2.175 20 0 GEADMO COCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159149 608567396 /nfs/dbraw/zinc/56/73/96/608567396.db2.gz STPJZGOJPFJIHV-UHFFFAOYSA-N 1 1 392.467 2.175 20 0 GEADMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826338786 608578797 /nfs/dbraw/zinc/57/87/97/608578797.db2.gz IFWTZRGNMILJSJ-MRVPVSSYSA-N 1 1 375.820 2.414 20 0 GEADMO CCn1nc(C)c(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000825806973 608584533 /nfs/dbraw/zinc/58/45/33/608584533.db2.gz LMPONVHUWSODFD-UHFFFAOYSA-N 1 1 380.500 2.412 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000825961109 608612333 /nfs/dbraw/zinc/61/23/33/608612333.db2.gz ATIHKLNWGIIHDO-LBPRGKRZSA-N 1 1 397.357 2.350 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000825961109 608612336 /nfs/dbraw/zinc/61/23/36/608612336.db2.gz ATIHKLNWGIIHDO-LBPRGKRZSA-N 1 1 397.357 2.350 20 0 GEADMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000826454470 608658516 /nfs/dbraw/zinc/65/85/16/608658516.db2.gz YBWPGPDMXVKQRH-AWEZNQCLSA-N 1 1 387.444 2.463 20 0 GEADMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000826454470 608658517 /nfs/dbraw/zinc/65/85/17/608658517.db2.gz YBWPGPDMXVKQRH-AWEZNQCLSA-N 1 1 387.444 2.463 20 0 GEADMO Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C ZINC000826262880 608836223 /nfs/dbraw/zinc/83/62/23/608836223.db2.gz BPMFODGWBQYGEV-INIZCTEOSA-N 1 1 378.484 2.293 20 0 GEADMO O[C@H](C[C@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502992 608842974 /nfs/dbraw/zinc/84/29/74/608842974.db2.gz NZCQRRYAESRUFQ-GDBMZVCRSA-N 1 1 379.424 2.196 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000826358018 608847705 /nfs/dbraw/zinc/84/77/05/608847705.db2.gz AJOBFMCWWVKOMG-GOSISDBHSA-N 1 1 392.463 2.125 20 0 GEADMO c1ncn(-c2ccc(C[N@@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)cc2)n1 ZINC000826513479 608855632 /nfs/dbraw/zinc/85/56/32/608855632.db2.gz MLYPBTXPIKCGFR-IBGZPJMESA-N 1 1 388.435 2.021 20 0 GEADMO c1ncn(-c2ccc(C[N@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)cc2)n1 ZINC000826513479 608855635 /nfs/dbraw/zinc/85/56/35/608855635.db2.gz MLYPBTXPIKCGFR-IBGZPJMESA-N 1 1 388.435 2.021 20 0 GEADMO CC[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181063 609140389 /nfs/dbraw/zinc/14/03/89/609140389.db2.gz BWWNTADSHNCITF-OALUTQOASA-N 1 1 398.511 2.106 20 0 GEADMO C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577001 609146267 /nfs/dbraw/zinc/14/62/67/609146267.db2.gz FTLOJYYSSDHRFI-QVKFZJNVSA-N 1 1 396.470 2.293 20 0 GEADMO CC(C)[C@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[NH+](C)C ZINC000446393061 649979471 /nfs/dbraw/zinc/97/94/71/649979471.db2.gz HUZVXXKOMPPFKM-CQSZACIVSA-N 1 1 380.432 2.311 20 0 GEADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826433512 609197435 /nfs/dbraw/zinc/19/74/35/609197435.db2.gz IOZUMZJKSPYBJQ-INIZCTEOSA-N 1 1 385.859 2.415 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936019 609230954 /nfs/dbraw/zinc/23/09/54/609230954.db2.gz DMNDCHOPMNYCNA-GPMSIDNRSA-N 1 1 398.511 2.013 20 0 GEADMO CC(C)C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824235467 609254006 /nfs/dbraw/zinc/25/40/06/609254006.db2.gz HTBKEJLJZXDVHR-BXUZGUMPSA-N 1 1 394.443 2.473 20 0 GEADMO C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824728754 609285526 /nfs/dbraw/zinc/28/55/26/609285526.db2.gz HBUHEDWVJUUJAU-VYDXJSESSA-N 1 1 398.511 2.403 20 0 GEADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826437227 609289151 /nfs/dbraw/zinc/28/91/51/609289151.db2.gz BMDDSFJALSOURY-UHFFFAOYSA-N 1 1 382.855 2.308 20 0 GEADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826437227 609289152 /nfs/dbraw/zinc/28/91/52/609289152.db2.gz BMDDSFJALSOURY-UHFFFAOYSA-N 1 1 382.855 2.308 20 0 GEADMO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000824319694 609315736 /nfs/dbraw/zinc/31/57/36/609315736.db2.gz YVMXUEGGISIRIK-CYBMUJFWSA-N 1 1 385.472 2.426 20 0 GEADMO COc1cccc([C@H]2[C@H](Nc3ccc(-c4nn[nH]n4)nn3)CC[N@H+]2C2CC2)c1 ZINC000826215177 609323070 /nfs/dbraw/zinc/32/30/70/609323070.db2.gz IMPUBQPCQUCHKA-QAPCUYQASA-N 1 1 378.440 2.055 20 0 GEADMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530459 609334178 /nfs/dbraw/zinc/33/41/78/609334178.db2.gz LVNYARNGCVJMBU-ACJLOTCBSA-N 1 1 382.443 2.356 20 0 GEADMO C[C@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000824428622 609336571 /nfs/dbraw/zinc/33/65/71/609336571.db2.gz SYRPEEGJFJRYHD-MRXNPFEDSA-N 1 1 394.527 2.479 20 0 GEADMO C[C@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824945491 609336632 /nfs/dbraw/zinc/33/66/32/609336632.db2.gz CZGKQOAKOQZEAA-HZPDHXFCSA-N 1 1 394.527 2.477 20 0 GEADMO C[C@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000824945491 609336634 /nfs/dbraw/zinc/33/66/34/609336634.db2.gz CZGKQOAKOQZEAA-HZPDHXFCSA-N 1 1 394.527 2.477 20 0 GEADMO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546184 609343374 /nfs/dbraw/zinc/34/33/74/609343374.db2.gz GVPITDGWCGWYJJ-RNCFNFMXSA-N 1 1 386.353 2.210 20 0 GEADMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826161233 609362812 /nfs/dbraw/zinc/36/28/12/609362812.db2.gz YGGUKRSWAFJXHQ-LBPRGKRZSA-N 1 1 396.289 2.114 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360312 609369892 /nfs/dbraw/zinc/36/98/92/609369892.db2.gz FXPSWTBSMXURRF-HNNXBMFYSA-N 1 1 389.410 2.471 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826332234 609379571 /nfs/dbraw/zinc/37/95/71/609379571.db2.gz NSUJXVFOQCZZRG-YJBOKZPZSA-N 1 1 381.484 2.344 20 0 GEADMO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476951 609415613 /nfs/dbraw/zinc/41/56/13/609415613.db2.gz SIAJKIAPYSGGKF-KRWDZBQOSA-N 1 1 384.390 2.430 20 0 GEADMO O=C1[C@@H]([NH2+]Cc2ccc(Cl)cn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476306 609417831 /nfs/dbraw/zinc/41/78/31/609417831.db2.gz FFSSQHOTJUKXHR-INIZCTEOSA-N 1 1 383.843 2.200 20 0 GEADMO C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824477976 609455970 /nfs/dbraw/zinc/45/59/70/609455970.db2.gz DQPIBOMCZUJGPZ-JXFKEZNVSA-N 1 1 390.491 2.436 20 0 GEADMO Cc1nnc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c(-c2nn[nH]n2)c1C ZINC000826336626 609596993 /nfs/dbraw/zinc/59/69/93/609596993.db2.gz GSXZJYQCLBWESZ-UHFFFAOYSA-N 1 1 394.483 2.146 20 0 GEADMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000447403345 650006373 /nfs/dbraw/zinc/00/63/73/650006373.db2.gz DXYKOQFPULSVFQ-CVEARBPZSA-N 1 1 383.330 2.279 20 0 GEADMO OC[C@H]([NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCCO1 ZINC000447962405 650012111 /nfs/dbraw/zinc/01/21/11/650012111.db2.gz ANOWQYQIVGDWDQ-NWDGAFQWSA-N 1 1 380.080 2.236 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(Br)cccc2cn1 ZINC000448564403 650016788 /nfs/dbraw/zinc/01/67/88/650016788.db2.gz GYLJOYCEQIFBBS-UHFFFAOYSA-N 1 1 378.270 2.449 20 0 GEADMO CN1CC[NH+](CCCNC(=O)CCc2cccc(F)c2Br)CC1 ZINC000448597930 650017704 /nfs/dbraw/zinc/01/77/04/650017704.db2.gz QOQWOSBERUTDBZ-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448688377 650019470 /nfs/dbraw/zinc/01/94/70/650019470.db2.gz BQVAIYMNRDPTHB-UHFFFAOYSA-N 1 1 395.301 2.333 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1ccc(I)cc1F ZINC000448960637 650027218 /nfs/dbraw/zinc/02/72/18/650027218.db2.gz GHIHDJIPGPRZHL-UHFFFAOYSA-N 1 1 394.253 2.209 20 0 GEADMO COc1ccccc1[C@H](CNC(=O)c1c(Br)cnn1C)[NH+](C)C ZINC000449064246 650031249 /nfs/dbraw/zinc/03/12/49/650031249.db2.gz TZJGREDOXMIYQS-ZDUSSCGKSA-N 1 1 381.274 2.224 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000449286496 650037739 /nfs/dbraw/zinc/03/77/39/650037739.db2.gz HMEHFJWNLTXLFQ-KZULUSFZSA-N 1 1 397.313 2.309 20 0 GEADMO COc1cc(Br)c(CNC[C@@H]2CCC[N@H+]2CCCO)cc1OC ZINC000449390477 650039942 /nfs/dbraw/zinc/03/99/42/650039942.db2.gz WGDLUNKUGQIPMR-AWEZNQCLSA-N 1 1 387.318 2.403 20 0 GEADMO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCN2CCCO)cc1OC ZINC000449390477 650039944 /nfs/dbraw/zinc/03/99/44/650039944.db2.gz WGDLUNKUGQIPMR-AWEZNQCLSA-N 1 1 387.318 2.403 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nn1 ZINC000449392140 650039947 /nfs/dbraw/zinc/03/99/47/650039947.db2.gz JCRXNSKNZCNNLB-ZDUSSCGKSA-N 1 1 382.249 2.484 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000449460811 650041338 /nfs/dbraw/zinc/04/13/38/650041338.db2.gz ZVHBOYKKEPNZRU-KRWDZBQOSA-N 1 1 396.285 2.417 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000449460811 650041343 /nfs/dbraw/zinc/04/13/43/650041343.db2.gz ZVHBOYKKEPNZRU-KRWDZBQOSA-N 1 1 396.285 2.417 20 0 GEADMO CO[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C[C@H]1O ZINC000449574351 650042944 /nfs/dbraw/zinc/04/29/44/650042944.db2.gz WNOHUNBMRFVNCZ-IAGOWNOFSA-N 1 1 380.286 2.443 20 0 GEADMO COC[C@@]1(CO)CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000449700295 650046462 /nfs/dbraw/zinc/04/64/62/650046462.db2.gz QWQNDMFBCDMOPS-KRWDZBQOSA-N 1 1 386.286 2.441 20 0 GEADMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000449700295 650046464 /nfs/dbraw/zinc/04/64/64/650046464.db2.gz QWQNDMFBCDMOPS-KRWDZBQOSA-N 1 1 386.286 2.441 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2Br)CC1 ZINC000450015332 650058262 /nfs/dbraw/zinc/05/82/62/650058262.db2.gz FKKSKZSCTZQNOO-AWEZNQCLSA-N 1 1 397.313 2.396 20 0 GEADMO Cc1nc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cs1 ZINC000450560483 650067336 /nfs/dbraw/zinc/06/73/36/650067336.db2.gz PGZXVWQVXWORTK-INIZCTEOSA-N 1 1 386.587 2.021 20 0 GEADMO CC(C)(C)Oc1nc(NC[C@@H]2CCC[N@H+]2CCCO)ncc1Br ZINC000450591962 650067669 /nfs/dbraw/zinc/06/76/69/650067669.db2.gz GUBAEURKJSWWSM-LBPRGKRZSA-N 1 1 387.322 2.675 20 0 GEADMO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000451057603 650082782 /nfs/dbraw/zinc/08/27/82/650082782.db2.gz UEDRSBWJHIUEGD-LSDHHAIUSA-N 1 1 386.901 2.340 20 0 GEADMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)CCO1 ZINC000451071786 650083662 /nfs/dbraw/zinc/08/36/62/650083662.db2.gz CDAUWFSTZHIPRY-LSDHHAIUSA-N 1 1 380.501 2.327 20 0 GEADMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)CCO1 ZINC000451071786 650083666 /nfs/dbraw/zinc/08/36/66/650083666.db2.gz CDAUWFSTZHIPRY-LSDHHAIUSA-N 1 1 380.501 2.327 20 0 GEADMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000451104954 650087111 /nfs/dbraw/zinc/08/71/11/650087111.db2.gz HKFOIMSFOPTAQO-WZRBSPASSA-N 1 1 376.881 2.164 20 0 GEADMO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000451247041 650098055 /nfs/dbraw/zinc/09/80/55/650098055.db2.gz LDPVMYJTVBGVAQ-ZDUSSCGKSA-N 1 1 389.290 2.364 20 0 GEADMO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000451186099 650094700 /nfs/dbraw/zinc/09/47/00/650094700.db2.gz DGHPPJPDHXZRMM-FZMZJTMJSA-N 1 1 386.901 2.292 20 0 GEADMO OCCOCC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451193538 650095266 /nfs/dbraw/zinc/09/52/66/650095266.db2.gz QGYMTQHFSVSJMG-AWEZNQCLSA-N 1 1 375.250 2.165 20 0 GEADMO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451435733 650113867 /nfs/dbraw/zinc/11/38/67/650113867.db2.gz JIWLSTFOTPUFAG-PXAZEXFGSA-N 1 1 376.831 2.268 20 0 GEADMO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451435733 650113871 /nfs/dbraw/zinc/11/38/71/650113871.db2.gz JIWLSTFOTPUFAG-PXAZEXFGSA-N 1 1 376.831 2.268 20 0 GEADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451469491 650118232 /nfs/dbraw/zinc/11/82/32/650118232.db2.gz DQDVYNPPCVZYRF-LSDHHAIUSA-N 1 1 380.501 2.327 20 0 GEADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451469491 650118234 /nfs/dbraw/zinc/11/82/34/650118234.db2.gz DQDVYNPPCVZYRF-LSDHHAIUSA-N 1 1 380.501 2.327 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451472642 650118715 /nfs/dbraw/zinc/11/87/15/650118715.db2.gz LECICAIPHWYSGS-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451472642 650118718 /nfs/dbraw/zinc/11/87/18/650118718.db2.gz LECICAIPHWYSGS-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451670942 650132030 /nfs/dbraw/zinc/13/20/30/650132030.db2.gz XQJQUKMHZYXXGV-HZSPNIEDSA-N 1 1 384.318 2.163 20 0 GEADMO C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CCC(F)(F)F)CC1 ZINC000452117298 650174675 /nfs/dbraw/zinc/17/46/75/650174675.db2.gz NJAHLBIJQKSZRG-AWEZNQCLSA-N 1 1 385.496 2.007 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452135938 650175573 /nfs/dbraw/zinc/17/55/73/650175573.db2.gz WXPZNMDJIBEGGD-HNNXBMFYSA-N 1 1 399.329 2.381 20 0 GEADMO C[C@@H](C(=O)NCCn1cc(Br)ccc1=O)[N@@H+](C)Cc1ccccc1 ZINC000452298777 650178670 /nfs/dbraw/zinc/17/86/70/650178670.db2.gz QPPTWLIXJXQXJQ-AWEZNQCLSA-N 1 1 392.297 2.248 20 0 GEADMO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000452343796 650180345 /nfs/dbraw/zinc/18/03/45/650180345.db2.gz BQIPDXGDGTXTFP-GJZGRUSLSA-N 1 1 399.329 2.488 20 0 GEADMO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452347839 650180651 /nfs/dbraw/zinc/18/06/51/650180651.db2.gz JUOHHPFWKMASTF-CQSZACIVSA-N 1 1 385.295 2.147 20 0 GEADMO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452370937 650182592 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COc1c(Br)cccc1CNCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479557212 650606474 /nfs/dbraw/zinc/60/64/74/650606474.db2.gz SRYSFXWSLVKQBL-MRXNPFEDSA-N 1 1 398.345 2.490 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000519628180 650610020 /nfs/dbraw/zinc/61/00/20/650610020.db2.gz XMCKJCJFGQJAOG-LLVKDONJSA-N 1 1 383.290 2.252 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000519628180 650610025 /nfs/dbraw/zinc/61/00/25/650610025.db2.gz XMCKJCJFGQJAOG-LLVKDONJSA-N 1 1 383.290 2.252 20 0 GEADMO CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000520217470 650613958 /nfs/dbraw/zinc/61/39/58/650613958.db2.gz NNEJIXPWMVXZAO-UHFFFAOYSA-N 1 1 380.495 2.234 20 0 GEADMO Cc1cc(N2CC[C@H](N[C@@H](C)C[C@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000521423708 650617245 /nfs/dbraw/zinc/61/72/45/650617245.db2.gz IPZTWPKFRXVEMI-ZQIUZPCESA-N 1 1 396.329 2.219 20 0 GEADMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c(Br)c1 ZINC000480457270 650622728 /nfs/dbraw/zinc/62/27/28/650622728.db2.gz 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COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000484758148 650690028 /nfs/dbraw/zinc/69/00/28/650690028.db2.gz YEBQQJZUKXMYGM-UHFFFAOYSA-N 1 1 386.470 2.084 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000528117951 650685327 /nfs/dbraw/zinc/68/53/27/650685327.db2.gz KNINEBDHRUIPBQ-YJBOKZPZSA-N 1 1 394.313 2.115 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000528117950 650685359 /nfs/dbraw/zinc/68/53/59/650685359.db2.gz KNINEBDHRUIPBQ-QAPCUYQASA-N 1 1 394.313 2.115 20 0 GEADMO CC(C)[C@H]1CN(c2ncc(S(N)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000528125028 650685719 /nfs/dbraw/zinc/68/57/19/650685719.db2.gz HBVQLEUTSHMLFW-OAHLLOKOSA-N 1 1 380.539 2.137 20 0 GEADMO CCS(=O)(=O)NCCC[N@H+](CCOC)Cc1sccc1Br ZINC000484872889 650690468 /nfs/dbraw/zinc/69/04/68/650690468.db2.gz JBDOOAFFXKJCSH-UHFFFAOYSA-N 1 1 399.376 2.288 20 0 GEADMO CCS(=O)(=O)NCCC[N@@H+](CCOC)Cc1sccc1Br ZINC000484872889 650690472 /nfs/dbraw/zinc/69/04/72/650690472.db2.gz 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375.441 2.253 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000486446428 650713818 /nfs/dbraw/zinc/71/38/18/650713818.db2.gz NJZSXUSDLCAOMM-KOLCDFICSA-N 1 1 389.880 2.056 20 0 GEADMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cncc(I)c1 ZINC000530025098 650710550 /nfs/dbraw/zinc/71/05/50/650710550.db2.gz YNCJWDJJAYUHIU-CQSZACIVSA-N 1 1 385.249 2.433 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000486397977 650713034 /nfs/dbraw/zinc/71/30/34/650713034.db2.gz BRUKSZUOGRAOQF-LBPRGKRZSA-N 1 1 380.286 2.357 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3F)[C@@H]2C1 ZINC000486625928 650716698 /nfs/dbraw/zinc/71/66/98/650716698.db2.gz HDEASMDSCVTUMS-ZWNOBZJWSA-N 1 1 377.279 2.303 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3F)[C@@H]2C1 ZINC000486625928 650716699 /nfs/dbraw/zinc/71/66/99/650716699.db2.gz HDEASMDSCVTUMS-ZWNOBZJWSA-N 1 1 377.279 2.303 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000486641355 650717607 /nfs/dbraw/zinc/71/76/07/650717607.db2.gz BJNHWWKUCUGWDP-IUODEOHRSA-N 1 1 378.416 2.342 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000486641356 650717641 /nfs/dbraw/zinc/71/76/41/650717641.db2.gz BJNHWWKUCUGWDP-SWLSCSKDSA-N 1 1 378.416 2.342 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000486669566 650718600 /nfs/dbraw/zinc/71/86/00/650718600.db2.gz GMNJHHHNBFFUIP-QMTHXVAHSA-N 1 1 377.279 2.303 20 0 GEADMO Ic1ccc2c(c1)[C@@H](NC[C@H]1COCC[NH2+]1)CCCO2 ZINC000530217653 650718746 /nfs/dbraw/zinc/71/87/46/650718746.db2.gz AIIADSPSAQZKGG-JSGCOSHPSA-N 1 1 388.249 2.083 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000486710402 650719842 /nfs/dbraw/zinc/71/98/42/650719842.db2.gz OSOYFHXYRWAIRF-UKRRQHHQSA-N 1 1 398.320 2.430 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1Cl ZINC000530308629 650720568 /nfs/dbraw/zinc/72/05/68/650720568.db2.gz BVZKWDIZLCJUAE-UHFFFAOYSA-N 1 1 387.914 2.292 20 0 GEADMO C[C@H](C(=O)N1CCc2cc(Br)cc(F)c2C1)N1CC[NH+](C)CC1 ZINC000530316120 650720584 /nfs/dbraw/zinc/72/05/84/650720584.db2.gz NGDXDRVIPYKNIJ-GFCCVEGCSA-N 1 1 384.293 2.109 20 0 GEADMO C[C@@H](C(=O)N1CCc2cc(Br)cc(F)c2C1)N1CC[NH+](C)CC1 ZINC000530316121 650720696 /nfs/dbraw/zinc/72/06/96/650720696.db2.gz NGDXDRVIPYKNIJ-LBPRGKRZSA-N 1 1 384.293 2.109 20 0 GEADMO O=C(NCCCc1ccc(Br)cc1F)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000486749146 650720936 /nfs/dbraw/zinc/72/09/36/650720936.db2.gz CVMBXFBHAYZFFN-INIZCTEOSA-N 1 1 384.293 2.027 20 0 GEADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000486770620 650721287 /nfs/dbraw/zinc/72/12/87/650721287.db2.gz IXKVMSAOASTVSV-IAGOWNOFSA-N 1 1 384.929 2.384 20 0 GEADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000486770620 650721290 /nfs/dbraw/zinc/72/12/90/650721290.db2.gz IXKVMSAOASTVSV-IAGOWNOFSA-N 1 1 384.929 2.384 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000530327857 650721444 /nfs/dbraw/zinc/72/14/44/650721444.db2.gz MUSLQFVKANZEAB-OAHLLOKOSA-N 1 1 379.507 2.138 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000530327857 650721447 /nfs/dbraw/zinc/72/14/47/650721447.db2.gz MUSLQFVKANZEAB-OAHLLOKOSA-N 1 1 379.507 2.138 20 0 GEADMO CN(C)c1cc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)cc[nH+]1 ZINC000530651161 650729208 /nfs/dbraw/zinc/72/92/08/650729208.db2.gz JWXGSUYJEHOOTH-UHFFFAOYSA-N 1 1 398.282 2.323 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530383375 650724395 /nfs/dbraw/zinc/72/43/95/650724395.db2.gz ZRNPSXFBNYMNOM-TZMCWYRMSA-N 1 1 385.295 2.492 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486901446 650724855 /nfs/dbraw/zinc/72/48/55/650724855.db2.gz JFPNVBIBRZHNDT-UGFHNGPFSA-N 1 1 383.286 2.319 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000487095276 650727554 /nfs/dbraw/zinc/72/75/54/650727554.db2.gz SJNRPHJVWGCZAQ-TXEJJXNPSA-N 1 1 398.301 2.337 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Br ZINC000487095276 650727556 /nfs/dbraw/zinc/72/75/56/650727556.db2.gz SJNRPHJVWGCZAQ-TXEJJXNPSA-N 1 1 398.301 2.337 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572822 650735907 /nfs/dbraw/zinc/73/59/07/650735907.db2.gz MGTWVYWLLGARCD-GWCFXTLKSA-N 1 1 379.258 2.313 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c[nH]1 ZINC000531334645 650737124 /nfs/dbraw/zinc/73/71/24/650737124.db2.gz YUUGVIKXDNWZFM-OAHLLOKOSA-N 1 1 385.873 2.036 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000487755278 650737585 /nfs/dbraw/zinc/73/75/85/650737585.db2.gz TUEPCPUBZTXFIW-UKRRQHHQSA-N 1 1 395.301 2.465 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000487755277 650737672 /nfs/dbraw/zinc/73/76/72/650737672.db2.gz TUEPCPUBZTXFIW-HIFRSBDPSA-N 1 1 395.301 2.465 20 0 GEADMO CC(C)[N@@H+]1C[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000487803683 650738275 /nfs/dbraw/zinc/73/82/75/650738275.db2.gz SWUFYNFZBOTWNT-WFASDCNBSA-N 1 1 397.317 2.416 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)N1CCC2(CC1)OCCc1ccsc12 ZINC000487929912 650739612 /nfs/dbraw/zinc/73/96/12/650739612.db2.gz BDYKEBIRDPFXDE-UHFFFAOYSA-N 1 1 381.567 2.370 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000531569777 650741049 /nfs/dbraw/zinc/74/10/49/650741049.db2.gz CFRAUDIXUXUUDG-WCQYABFASA-N 1 1 377.539 2.235 20 0 GEADMO Cc1c([C@@H](C)[NH2+]C[C@H]2COCCO2)nnn1-c1cccc(Br)c1 ZINC000532195732 650746096 /nfs/dbraw/zinc/74/60/96/650746096.db2.gz RRXJKXCRLKHVTP-ABAIWWIYSA-N 1 1 381.274 2.404 20 0 GEADMO Cc1c([C@H](C)[NH2+]C[C@@H]2COCCO2)nnn1-c1cccc(Br)c1 ZINC000532195735 650746254 /nfs/dbraw/zinc/74/62/54/650746254.db2.gz RRXJKXCRLKHVTP-XHDPSFHLSA-N 1 1 381.274 2.404 20 0 GEADMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000532235999 650746677 /nfs/dbraw/zinc/74/66/77/650746677.db2.gz UMPLTVUCKYBJKU-DOTOQJQBSA-N 1 1 385.599 2.395 20 0 GEADMO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1OC ZINC000488524858 650747078 /nfs/dbraw/zinc/74/70/78/650747078.db2.gz CMCXOFCMKPKVOC-CALCHBBNSA-N 1 1 385.302 2.131 20 0 GEADMO CO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1OC ZINC000488524858 650747080 /nfs/dbraw/zinc/74/70/80/650747080.db2.gz CMCXOFCMKPKVOC-CALCHBBNSA-N 1 1 385.302 2.131 20 0 GEADMO O=c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)nc2ccc(Br)cn12 ZINC000532646707 650751753 /nfs/dbraw/zinc/75/17/53/650751753.db2.gz GIDDGWQCAGXJEZ-IUODEOHRSA-N 1 1 378.270 2.458 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000488606112 650748930 /nfs/dbraw/zinc/74/89/30/650748930.db2.gz CXFUHBRCDKWPKM-AWEZNQCLSA-N 1 1 386.265 2.325 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC[N@H+]1C ZINC000488606112 650748932 /nfs/dbraw/zinc/74/89/32/650748932.db2.gz CXFUHBRCDKWPKM-AWEZNQCLSA-N 1 1 386.265 2.325 20 0 GEADMO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000489122286 650754911 /nfs/dbraw/zinc/75/49/11/650754911.db2.gz JRHPHNKWYQRYRZ-CVEARBPZSA-N 1 1 386.901 2.422 20 0 GEADMO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000489122289 650754963 /nfs/dbraw/zinc/75/49/63/650754963.db2.gz JRHPHNKWYQRYRZ-JKSUJKDBSA-N 1 1 386.901 2.422 20 0 GEADMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000028987233 642455653 /nfs/dbraw/zinc/45/56/53/642455653.db2.gz HGKQCFUIKCWYKN-UHFFFAOYSA-N 1 1 377.432 2.097 20 0 GEADMO O[C@]1(C(F)(F)F)CCCN(CCC[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000489333526 650757851 /nfs/dbraw/zinc/75/78/51/650757851.db2.gz VMMFOEVEQKYFPR-BETUJISGSA-N 1 1 378.357 2.155 20 0 GEADMO O[C@]1(C(F)(F)F)CCC[N@@H+](CCCN2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000489333526 650757852 /nfs/dbraw/zinc/75/78/52/650757852.db2.gz VMMFOEVEQKYFPR-BETUJISGSA-N 1 1 378.357 2.155 20 0 GEADMO O[C@]1(C(F)(F)F)CCC[N@H+](CCCN2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000489333526 650757854 /nfs/dbraw/zinc/75/78/54/650757854.db2.gz VMMFOEVEQKYFPR-BETUJISGSA-N 1 1 378.357 2.155 20 0 GEADMO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000488889810 650752034 /nfs/dbraw/zinc/75/20/34/650752034.db2.gz IYUMWLNQGSPNQP-ZDUSSCGKSA-N 1 1 385.530 2.051 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(I)cc1 ZINC000033870530 642505610 /nfs/dbraw/zinc/50/56/10/642505610.db2.gz OOCUYCSFSGLGCS-UHFFFAOYSA-N 1 1 389.237 2.135 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000488961302 650752962 /nfs/dbraw/zinc/75/29/62/650752962.db2.gz HIHQODFWGOZNDG-HNNXBMFYSA-N 1 1 396.329 2.004 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000037382587 642513205 /nfs/dbraw/zinc/51/32/05/642513205.db2.gz CQUOIZZWQSNVKG-LBPRGKRZSA-N 1 1 377.304 2.220 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000489019515 650753741 /nfs/dbraw/zinc/75/37/41/650753741.db2.gz XWUIKAYNJMQAJN-UHFFFAOYSA-N 1 1 395.326 2.413 20 0 GEADMO COc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1Br ZINC000041361835 642529522 /nfs/dbraw/zinc/52/95/22/642529522.db2.gz GCNFHPKNAHFHLG-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Br)c1 ZINC000042055899 642540554 /nfs/dbraw/zinc/54/05/54/642540554.db2.gz CSQIIUXRKCKKCN-LSDHHAIUSA-N 1 1 380.286 2.439 20 0 GEADMO CC[N@@H+]1CCc2nc(NC(=O)C[C@@H](NC(N)=O)c3cccs3)sc2C1 ZINC000042065833 642541225 /nfs/dbraw/zinc/54/12/25/642541225.db2.gz IRCYFTSMVJZFPN-LLVKDONJSA-N 1 1 379.511 2.321 20 0 GEADMO CC[N@H+]1CCc2nc(NC(=O)C[C@@H](NC(N)=O)c3cccs3)sc2C1 ZINC000042065833 642541239 /nfs/dbraw/zinc/54/12/39/642541239.db2.gz IRCYFTSMVJZFPN-LLVKDONJSA-N 1 1 379.511 2.321 20 0 GEADMO COC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000533345210 650760285 /nfs/dbraw/zinc/76/02/85/650760285.db2.gz YEKLOVDJSQQAFN-UHFFFAOYSA-N 1 1 384.274 2.448 20 0 GEADMO COc1ccc(OC(F)F)c(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000044140526 642570142 /nfs/dbraw/zinc/57/01/42/642570142.db2.gz KSLZBAHBMGMDLZ-UHFFFAOYSA-N 1 1 375.441 2.305 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000044355414 642576825 /nfs/dbraw/zinc/57/68/25/642576825.db2.gz OMBVCUGPRZUWNW-OAHLLOKOSA-N 1 1 398.345 2.279 20 0 GEADMO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2cnccn2)CC1 ZINC000046057779 642602933 /nfs/dbraw/zinc/60/29/33/642602933.db2.gz REMGCXHIFMLUKH-AWEZNQCLSA-N 1 1 383.279 2.345 20 0 GEADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CSc2ccccc2Cl)CC1 ZINC000049726026 642670814 /nfs/dbraw/zinc/67/08/14/642670814.db2.gz YJZRUENAKZSEQY-HNNXBMFYSA-N 1 1 381.929 2.197 20 0 GEADMO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000049994690 642674248 /nfs/dbraw/zinc/67/42/48/642674248.db2.gz AIHGFPZTHFJTPZ-LBPRGKRZSA-N 1 1 399.563 2.099 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000050203435 642677491 /nfs/dbraw/zinc/67/74/91/642677491.db2.gz RTKYUJQKBSWWDH-AWEZNQCLSA-N 1 1 380.286 2.393 20 0 GEADMO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052133923 642710512 /nfs/dbraw/zinc/71/05/12/642710512.db2.gz GMXVSGGOMYKFMT-IAGOWNOFSA-N 1 1 375.579 2.111 20 0 GEADMO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052133923 642710521 /nfs/dbraw/zinc/71/05/21/642710521.db2.gz GMXVSGGOMYKFMT-IAGOWNOFSA-N 1 1 375.579 2.111 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000052221978 642712578 /nfs/dbraw/zinc/71/25/78/642712578.db2.gz UWFUGZHNTNXIMK-UHFFFAOYSA-N 1 1 376.873 2.334 20 0 GEADMO CC[N@@H+](C)CCNC(=O)NCc1ccc(I)c(C)c1 ZINC000491006958 650782257 /nfs/dbraw/zinc/78/22/57/650782257.db2.gz NMOKBRCPAFPBGW-UHFFFAOYSA-N 1 1 375.254 2.351 20 0 GEADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000052695759 642725153 /nfs/dbraw/zinc/72/51/53/642725153.db2.gz PRJYRMFWIAEETM-WFASDCNBSA-N 1 1 380.432 2.000 20 0 GEADMO O=C(CNC(=O)NCC[NH+]1CCSCC1)Nc1cc(Cl)ccc1Cl ZINC000490823931 650780152 /nfs/dbraw/zinc/78/01/52/650780152.db2.gz IURXMHATEMTLGK-UHFFFAOYSA-N 1 1 391.324 2.280 20 0 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COCC[N@@H+](C)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000130940487 643856211 /nfs/dbraw/zinc/85/62/11/643856211.db2.gz WIQCIULAVQYZAN-UHFFFAOYSA-N 1 1 394.228 2.128 20 0 GEADMO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000131088376 643862691 /nfs/dbraw/zinc/86/26/91/643862691.db2.gz STTQSGZAWYGFFN-SJORKVTESA-N 1 1 375.579 2.209 20 0 GEADMO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000541107953 650871540 /nfs/dbraw/zinc/87/15/40/650871540.db2.gz LMJCEVGMCIRASC-OAHLLOKOSA-N 1 1 386.470 2.255 20 0 GEADMO C[C@@H](NC(=O)NCCc1ccc(Br)s1)[C@H]1C[N@H+](C)CCO1 ZINC000132951005 643889699 /nfs/dbraw/zinc/88/96/99/643889699.db2.gz CNWQAOORUNAABM-ZYHUDNBSSA-N 1 1 376.320 2.071 20 0 GEADMO C[C@@H](NC(=O)NCCc1ccc(Br)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000132951005 643889701 /nfs/dbraw/zinc/88/97/01/643889701.db2.gz CNWQAOORUNAABM-ZYHUDNBSSA-N 1 1 376.320 2.071 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)NCCC[NH+]1CCOCC1 ZINC000151097305 643931015 /nfs/dbraw/zinc/93/10/15/643931015.db2.gz 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O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H](CO)c1cccc(Br)c1 ZINC000541808858 650881582 /nfs/dbraw/zinc/88/15/82/650881582.db2.gz APOLTPLYKIUQBW-HNNXBMFYSA-N 1 1 378.270 2.374 20 0 GEADMO CCCc1[nH+]ccn1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000153555126 643992903 /nfs/dbraw/zinc/99/29/03/643992903.db2.gz KJLWUKKKUVRAFF-CQSZACIVSA-N 1 1 381.523 2.113 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000153774732 644005368 /nfs/dbraw/zinc/00/53/68/644005368.db2.gz MVUMAEMQDCDHIO-SNVBAGLBSA-N 1 1 375.803 2.338 20 0 GEADMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000154167296 644023137 /nfs/dbraw/zinc/02/31/37/644023137.db2.gz ARNUFHWLDDLDEB-CQSZACIVSA-N 1 1 387.571 2.239 20 0 GEADMO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC[N@@H+](CCO)CC1 ZINC000154270483 644030012 /nfs/dbraw/zinc/03/00/12/644030012.db2.gz RPBRKKDVXZELST-UHFFFAOYSA-N 1 1 386.823 2.048 20 0 GEADMO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC[N@H+](CCO)CC1 ZINC000154270483 644030020 /nfs/dbraw/zinc/03/00/20/644030020.db2.gz RPBRKKDVXZELST-UHFFFAOYSA-N 1 1 386.823 2.048 20 0 GEADMO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000154313306 644034003 /nfs/dbraw/zinc/03/40/03/644034003.db2.gz WHRJLAFPJHJWPB-GXTWGEPZSA-N 1 1 390.265 2.017 20 0 GEADMO CN(C)C[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000154313523 644034161 /nfs/dbraw/zinc/03/41/61/644034161.db2.gz WHRJLAFPJHJWPB-JSGCOSHPSA-N 1 1 390.265 2.017 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000154328114 644036033 /nfs/dbraw/zinc/03/60/33/644036033.db2.gz JEBDVKNLYZRSDE-ZDUSSCGKSA-N 1 1 382.302 2.027 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)CCO1 ZINC000154328970 644036757 /nfs/dbraw/zinc/03/67/57/644036757.db2.gz OGBIWXFXDJYQMX-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)CCO1 ZINC000154328970 644036760 /nfs/dbraw/zinc/03/67/60/644036760.db2.gz OGBIWXFXDJYQMX-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[N@@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000154373216 644039748 /nfs/dbraw/zinc/03/97/48/644039748.db2.gz PJEZXMLHYWOSNO-ZDUSSCGKSA-N 1 1 377.794 2.446 20 0 GEADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(F)ccc1Br)C2 ZINC000156481094 644098399 /nfs/dbraw/zinc/09/83/99/644098399.db2.gz TZVUVETWYXYANA-NWDGAFQWSA-N 1 1 377.279 2.445 20 0 GEADMO Cc1csc(C2CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)n1 ZINC000156665576 644111116 /nfs/dbraw/zinc/11/11/16/644111116.db2.gz AYCKAKZKPHGJJJ-SNVBAGLBSA-N 1 1 378.420 2.408 20 0 GEADMO CC[C@@](C)([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)c1nc(C)cs1 ZINC000156728109 644114279 /nfs/dbraw/zinc/11/42/79/644114279.db2.gz AXNRUZXSMTUZLB-MRXNPFEDSA-N 1 1 382.511 2.477 20 0 GEADMO C[C@@H](CNC(=O)NCc1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000156773687 644117201 /nfs/dbraw/zinc/11/72/01/644117201.db2.gz SGQDZEZLEQKBQF-NSHDSACASA-N 1 1 376.320 2.278 20 0 GEADMO Cc1ccc(I)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000156908134 644123645 /nfs/dbraw/zinc/12/36/45/644123645.db2.gz ZSBIAMQSSLXKOS-RISCZKNCSA-N 1 1 388.249 2.049 20 0 GEADMO Cc1ccc(I)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000156908134 644123649 /nfs/dbraw/zinc/12/36/49/644123649.db2.gz ZSBIAMQSSLXKOS-RISCZKNCSA-N 1 1 388.249 2.049 20 0 GEADMO O=C(C[C@@H]1CSCCS1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000157482331 644134859 /nfs/dbraw/zinc/13/48/59/644134859.db2.gz FVCIPFZYTWGZGM-QGZVFWFLSA-N 1 1 383.558 2.303 20 0 GEADMO O=S(=O)(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000158882736 644164861 /nfs/dbraw/zinc/16/48/61/644164861.db2.gz OUSHDFKIILRHRV-QGZVFWFLSA-N 1 1 380.897 2.038 20 0 GEADMO O=S(=O)(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000158882736 644164866 /nfs/dbraw/zinc/16/48/66/644164866.db2.gz OUSHDFKIILRHRV-QGZVFWFLSA-N 1 1 380.897 2.038 20 0 GEADMO Cc1oc(C(N)=O)cc1-c1csc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000159033768 644173291 /nfs/dbraw/zinc/17/32/91/644173291.db2.gz MADAVHIVZSMSIU-JTQLQIEISA-N 1 1 380.495 2.186 20 0 GEADMO Cc1oc(C(N)=O)cc1-c1csc(NC(=O)C[N@H+](C)[C@H]2CCSC2)n1 ZINC000159033768 644173294 /nfs/dbraw/zinc/17/32/94/644173294.db2.gz MADAVHIVZSMSIU-JTQLQIEISA-N 1 1 380.495 2.186 20 0 GEADMO O=C(CSc1ccc(Cl)cc1)NNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160720418 644205247 /nfs/dbraw/zinc/20/52/47/644205247.db2.gz NMVVLTDFBFDJKJ-AWEZNQCLSA-N 1 1 382.917 2.247 20 0 GEADMO CC(C)[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)C(=O)N1CCOCC1 ZINC000161570507 644212390 /nfs/dbraw/zinc/21/23/90/644212390.db2.gz LZVHVYZQXLOGET-INIZCTEOSA-N 1 1 395.301 2.298 20 0 GEADMO CC(C)[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(=O)N1CCOCC1 ZINC000161570507 644212396 /nfs/dbraw/zinc/21/23/96/644212396.db2.gz LZVHVYZQXLOGET-INIZCTEOSA-N 1 1 395.301 2.298 20 0 GEADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000161697307 644216000 /nfs/dbraw/zinc/21/60/00/644216000.db2.gz SBSDGOSXSSHAQW-LLVKDONJSA-N 1 1 397.360 2.026 20 0 GEADMO CC(C)N(C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830202 644222014 /nfs/dbraw/zinc/22/20/14/644222014.db2.gz IPQJQAHCZHZVBN-OAHLLOKOSA-N 1 1 375.922 2.185 20 0 GEADMO CC(C)OCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161828912 644222262 /nfs/dbraw/zinc/22/22/62/644222262.db2.gz JRZGLIBIXWEYQS-INIZCTEOSA-N 1 1 390.933 2.354 20 0 GEADMO CC(C)OCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161828912 644222270 /nfs/dbraw/zinc/22/22/70/644222270.db2.gz JRZGLIBIXWEYQS-INIZCTEOSA-N 1 1 390.933 2.354 20 0 GEADMO NC(=O)[C@H]([NH2+]CCN1C(=O)Cc2ccccc21)c1cccc(Br)c1 ZINC000162049468 644230325 /nfs/dbraw/zinc/23/03/25/644230325.db2.gz DLFXGFRQLFBGFD-QGZVFWFLSA-N 1 1 388.265 2.154 20 0 GEADMO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162507962 644237843 /nfs/dbraw/zinc/23/78/43/644237843.db2.gz XSBGAGJQZCBYQD-SNVBAGLBSA-N 1 1 395.269 2.490 20 0 GEADMO O=S(=O)(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162507962 644237855 /nfs/dbraw/zinc/23/78/55/644237855.db2.gz XSBGAGJQZCBYQD-SNVBAGLBSA-N 1 1 395.269 2.490 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCS[C@@H]4COCC[C@H]43)CC2)cs1 ZINC000162555076 644238625 /nfs/dbraw/zinc/23/86/25/644238625.db2.gz RXPRFRQLRMTXMU-IAGOWNOFSA-N 1 1 381.567 2.396 20 0 GEADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CSC(=O)N1 ZINC000162670076 644240828 /nfs/dbraw/zinc/24/08/28/644240828.db2.gz TYVMFFQPJUVERB-AWEZNQCLSA-N 1 1 398.326 2.355 20 0 GEADMO OC[C@H]1CSCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000543185407 650903220 /nfs/dbraw/zinc/90/32/20/650903220.db2.gz LDTBOJQDTVVLIO-RYUDHWBXSA-N 1 1 396.734 2.252 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000543186536 650903247 /nfs/dbraw/zinc/90/32/47/650903247.db2.gz ZCCCGWZVWQJVJX-UHFFFAOYSA-N 1 1 397.317 2.350 20 0 GEADMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc(Br)c1F ZINC000543249713 650905117 /nfs/dbraw/zinc/90/51/17/650905117.db2.gz UAMKPBPIORFDOQ-NSHDSACASA-N 1 1 377.279 2.445 20 0 GEADMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc(Br)c1F ZINC000543249713 650905122 /nfs/dbraw/zinc/90/51/22/650905122.db2.gz UAMKPBPIORFDOQ-NSHDSACASA-N 1 1 377.279 2.445 20 0 GEADMO CN(C)C(=O)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000171015356 644301502 /nfs/dbraw/zinc/30/15/02/644301502.db2.gz WWWNGOKDBCEAQF-UHFFFAOYSA-N 1 1 383.246 2.392 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000173262106 644354957 /nfs/dbraw/zinc/35/49/57/644354957.db2.gz VBAWMIDMVNYHSI-DOMZBBRYSA-N 1 1 388.917 2.477 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000174461555 644376672 /nfs/dbraw/zinc/37/66/72/644376672.db2.gz FQPYJZULBWZJMH-HOTGVXAUSA-N 1 1 383.286 2.070 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000174461555 644376681 /nfs/dbraw/zinc/37/66/81/644376681.db2.gz FQPYJZULBWZJMH-HOTGVXAUSA-N 1 1 383.286 2.070 20 0 GEADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000543602825 650915082 /nfs/dbraw/zinc/91/50/82/650915082.db2.gz QINULSOHBZNAKN-CQSZACIVSA-N 1 1 385.482 2.051 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000174640933 644378033 /nfs/dbraw/zinc/37/80/33/644378033.db2.gz RKLGGADDLHCJJO-UHFFFAOYSA-N 1 1 384.318 2.417 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1Cn1nc(Br)nc1Br ZINC000175237300 644387199 /nfs/dbraw/zinc/38/71/99/644387199.db2.gz SEJWWQUSOQOEKQ-SECBINFHSA-N 1 1 381.116 2.033 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000175791519 644393802 /nfs/dbraw/zinc/39/38/02/644393802.db2.gz YFOFMEVYSSHARF-GFCCVEGCSA-N 1 1 398.248 2.153 20 0 GEADMO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000543656227 650917474 /nfs/dbraw/zinc/91/74/74/650917474.db2.gz AGRZUFDWAYJFEL-OAHLLOKOSA-N 1 1 376.254 2.074 20 0 GEADMO O=C(CSCC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000543707236 650920761 /nfs/dbraw/zinc/92/07/61/650920761.db2.gz HSBZRKZXJCHFEO-LSDHHAIUSA-N 1 1 376.444 2.281 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000178818078 644442367 /nfs/dbraw/zinc/44/23/67/644442367.db2.gz 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CC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C)CC2)ccc1Br ZINC000180150802 644491941 /nfs/dbraw/zinc/49/19/41/644491941.db2.gz ZETOZPKZSIIOQZ-UHFFFAOYSA-N 1 1 375.288 2.024 20 0 GEADMO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)NNC(=O)c1ccccc1 ZINC000180244752 644497414 /nfs/dbraw/zinc/49/74/14/644497414.db2.gz XQKYRUXJKFNSBW-UHFFFAOYSA-N 1 1 388.265 2.489 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180547265 644506497 /nfs/dbraw/zinc/50/64/97/644506497.db2.gz WSOWJHDBJHYBFT-INIZCTEOSA-N 1 1 384.293 2.327 20 0 GEADMO Cc1c2cccc(Br)c2oc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000543939426 650928368 /nfs/dbraw/zinc/92/83/68/650928368.db2.gz SGUXWRIUUGRNKH-LBPRGKRZSA-N 1 1 380.286 2.479 20 0 GEADMO Cc1c2cccc(Br)c2oc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000543939426 650928372 /nfs/dbraw/zinc/92/83/72/650928372.db2.gz SGUXWRIUUGRNKH-LBPRGKRZSA-N 1 1 380.286 2.479 20 0 GEADMO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)no1 ZINC000181060935 644522186 /nfs/dbraw/zinc/52/21/86/644522186.db2.gz 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/nfs/dbraw/zinc/59/59/61/647595961.db2.gz NBIQBTAJPOXLCE-VHDGCEQUSA-N 1 1 382.302 2.463 20 0 GEADMO C[NH+](C)CCN1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000363517946 647599004 /nfs/dbraw/zinc/59/90/04/647599004.db2.gz PNWTVENQPCILOV-UHFFFAOYSA-N 1 1 394.317 2.035 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363521398 647599137 /nfs/dbraw/zinc/59/91/37/647599137.db2.gz ZMCLPLLULSOTAG-MJBXVCDLSA-N 1 1 383.286 2.196 20 0 GEADMO CNS(=O)(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000363889276 647610203 /nfs/dbraw/zinc/61/02/03/647610203.db2.gz OWADVQBAHRVWNA-UHFFFAOYSA-N 1 1 384.395 2.280 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)c3cccc(Br)c3)CC2)C1 ZINC000364553244 647634927 /nfs/dbraw/zinc/63/49/27/647634927.db2.gz BHCIPHJYBGZNKX-ROUUACIJSA-N 1 1 382.346 2.194 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000364563667 647636286 /nfs/dbraw/zinc/63/62/86/647636286.db2.gz UGFSHJVJJXCDOK-UHFFFAOYSA-N 1 1 378.897 2.088 20 0 GEADMO 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/nfs/dbraw/zinc/66/27/66/647662766.db2.gz UTEDCFLMPCNJIW-ZDUSSCGKSA-N 1 1 385.258 2.203 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000365178933 647662769 /nfs/dbraw/zinc/66/27/69/647662769.db2.gz UTEDCFLMPCNJIW-ZDUSSCGKSA-N 1 1 385.258 2.203 20 0 GEADMO Cn1cc([C@H]2[C@@H](CNS(=O)(=O)CCc3cccs3)CCC[N@@H+]2C)cn1 ZINC000365199481 647664094 /nfs/dbraw/zinc/66/40/94/647664094.db2.gz SXCJHHYJCQSPPX-RHSMWYFYSA-N 1 1 382.555 2.027 20 0 GEADMO Cn1cc([C@H]2[C@@H](CNS(=O)(=O)CCc3cccs3)CCC[N@H+]2C)cn1 ZINC000365199481 647664099 /nfs/dbraw/zinc/66/40/99/647664099.db2.gz SXCJHHYJCQSPPX-RHSMWYFYSA-N 1 1 382.555 2.027 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccccc3Br)CC2)C1 ZINC000365329420 647667392 /nfs/dbraw/zinc/66/73/92/647667392.db2.gz XSTCGXBXMJQZNW-INIZCTEOSA-N 1 1 395.345 2.371 20 0 GEADMO CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365444626 647669346 /nfs/dbraw/zinc/66/93/46/647669346.db2.gz BPZJNNYFVNZCDW-GVAFMPQTSA-N 1 1 386.587 2.074 20 0 GEADMO O=C(Nc1ccc(Br)cc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546928 647676232 /nfs/dbraw/zinc/67/62/32/647676232.db2.gz MYOCNFKVEXUGNY-VBNZEHGJSA-N 1 1 392.297 2.330 20 0 GEADMO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCCc2[nH+]ccn21 ZINC000365671217 647680948 /nfs/dbraw/zinc/68/09/48/647680948.db2.gz ZIMOFKDRYJWORJ-GOEBONIOSA-N 1 1 392.297 2.490 20 0 GEADMO Cc1nc(NC(=O)C(=O)N2CCC[N@H+](CC(C)C)CC2)ccc1Br ZINC000365736899 647684518 /nfs/dbraw/zinc/68/45/18/647684518.db2.gz OWDZQCMOXKANOW-UHFFFAOYSA-N 1 1 397.317 2.281 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000365921446 647688450 /nfs/dbraw/zinc/68/84/50/647688450.db2.gz NJJWFXLREMSREZ-UHFFFAOYSA-N 1 1 392.301 2.405 20 0 GEADMO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367003386 647714164 /nfs/dbraw/zinc/71/41/64/647714164.db2.gz NTNDWLCFSLLQHA-CABCVRRESA-N 1 1 388.555 2.326 20 0 GEADMO C[C@@]12CC[N@@H+]([C@H]3CCCCNC3=O)C[C@@H]1C2(Br)Br ZINC000367061302 647716721 /nfs/dbraw/zinc/71/67/21/647716721.db2.gz FZPYPRKSPQSVJY-JBLDHEPKSA-N 1 1 380.124 2.483 20 0 GEADMO C[C@@]12CC[N@H+]([C@H]3CCCCNC3=O)C[C@@H]1C2(Br)Br ZINC000367061302 647716727 /nfs/dbraw/zinc/71/67/27/647716727.db2.gz FZPYPRKSPQSVJY-JBLDHEPKSA-N 1 1 380.124 2.483 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000368243492 647753295 /nfs/dbraw/zinc/75/32/95/647753295.db2.gz PWDGLPBVKQSCNT-ONGXEEELSA-N 1 1 375.778 2.365 20 0 GEADMO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000368243492 647753299 /nfs/dbraw/zinc/75/32/99/647753299.db2.gz PWDGLPBVKQSCNT-ONGXEEELSA-N 1 1 375.778 2.365 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3I)C[C@H]21 ZINC000368593323 647760575 /nfs/dbraw/zinc/76/05/75/647760575.db2.gz PIVIHSFCKXZTIP-SWLSCSKDSA-N 1 1 384.261 2.386 20 0 GEADMO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CCCc2[nH+]ccn21 ZINC000368676179 647763613 /nfs/dbraw/zinc/76/36/13/647763613.db2.gz SKIKMKHEBFKFCR-GXTWGEPZSA-N 1 1 394.269 2.079 20 0 GEADMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000368671029 647763663 /nfs/dbraw/zinc/76/36/63/647763663.db2.gz GYTBESKFVNWZBX-LSDHHAIUSA-N 1 1 395.301 2.258 20 0 GEADMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000368671029 647763665 /nfs/dbraw/zinc/76/36/65/647763665.db2.gz GYTBESKFVNWZBX-LSDHHAIUSA-N 1 1 395.301 2.258 20 0 GEADMO Cn1cc[nH+]c1N1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000369246811 647773287 /nfs/dbraw/zinc/77/32/87/647773287.db2.gz ZHZJDGUXYPJLMG-UHFFFAOYSA-N 1 1 393.285 2.347 20 0 GEADMO COC(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369445977 647778215 /nfs/dbraw/zinc/77/82/15/647778215.db2.gz KYNHJXYGCBUZDH-RHSMWYFYSA-N 1 1 388.917 2.205 20 0 GEADMO CCN(CC)c1ncc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)s1 ZINC000370313016 647785059 /nfs/dbraw/zinc/78/50/59/647785059.db2.gz FWTBNLUSTGVZOV-UHFFFAOYSA-N 1 1 386.587 2.379 20 0 GEADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000371131036 647786169 /nfs/dbraw/zinc/78/61/69/647786169.db2.gz RJGFUMJELSKNMK-CQSZACIVSA-N 1 1 393.285 2.061 20 0 GEADMO C[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000372180005 647803004 /nfs/dbraw/zinc/80/30/04/647803004.db2.gz KKSDLJXCTBXGOQ-WRWORJQWSA-N 1 1 387.292 2.497 20 0 GEADMO C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000372180003 647803136 /nfs/dbraw/zinc/80/31/36/647803136.db2.gz KKSDLJXCTBXGOQ-RDDDGLTNSA-N 1 1 387.292 2.497 20 0 GEADMO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000374145487 647818707 /nfs/dbraw/zinc/81/87/07/647818707.db2.gz PYLNDZBLACIGHZ-GDBMZVCRSA-N 1 1 382.555 2.460 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(OC)c(Br)c3)C2)nn1 ZINC000375212991 647828715 /nfs/dbraw/zinc/82/87/15/647828715.db2.gz ZKVADHAPNVINGO-LBPRGKRZSA-N 1 1 395.257 2.283 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(OC)c(Br)c3)C2)nn1 ZINC000375212991 647828720 /nfs/dbraw/zinc/82/87/20/647828720.db2.gz ZKVADHAPNVINGO-LBPRGKRZSA-N 1 1 395.257 2.283 20 0 GEADMO CN1CC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000375803488 647834357 /nfs/dbraw/zinc/83/43/57/647834357.db2.gz CQUVMQAZJMPNIW-ILXRZTDVSA-N 1 1 383.480 2.010 20 0 GEADMO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000375848362 647835564 /nfs/dbraw/zinc/83/55/64/647835564.db2.gz DAUMPXULQMZZAR-ZDUSSCGKSA-N 1 1 395.326 2.360 20 0 GEADMO O=C(NCCCCn1cc(Br)cn1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000376425159 647845490 /nfs/dbraw/zinc/84/54/90/647845490.db2.gz HOEIICBGTWTXNA-INIZCTEOSA-N 1 1 399.333 2.185 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)C[C@@H]21 ZINC000376496243 647847428 /nfs/dbraw/zinc/84/74/28/647847428.db2.gz VSTFAUCRKHZWGR-ZFWWWQNUSA-N 1 1 384.322 2.161 20 0 GEADMO O=C(NCCCCn1cc(Br)cn1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000376496429 647847564 /nfs/dbraw/zinc/84/75/64/647847564.db2.gz XHLGQSIHHAAYRH-OAHLLOKOSA-N 1 1 384.322 2.306 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000376954950 647851555 /nfs/dbraw/zinc/85/15/55/647851555.db2.gz MROQBNLFGAGHCO-HNNXBMFYSA-N 1 1 395.345 2.252 20 0 GEADMO Cn1ccc(N2CC[C@H]([NH2+]Cc3nc4ccccn4c3Br)C2)n1 ZINC000377648175 647862828 /nfs/dbraw/zinc/86/28/28/647862828.db2.gz KYUSZSYDFIKBJK-LBPRGKRZSA-N 1 1 375.274 2.199 20 0 GEADMO O=C1NC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000377656615 647863065 /nfs/dbraw/zinc/86/30/65/647863065.db2.gz SHQRIMVTGVKPSD-QWRGUYRKSA-N 1 1 377.242 2.067 20 0 GEADMO O=C1NC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000377656615 647863066 /nfs/dbraw/zinc/86/30/66/647863066.db2.gz SHQRIMVTGVKPSD-QWRGUYRKSA-N 1 1 377.242 2.067 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(Cc2ncc(I)s2)CC1 ZINC000377666886 647864195 /nfs/dbraw/zinc/86/41/95/647864195.db2.gz CJSBZYIGEBVAGQ-UHFFFAOYSA-N 1 1 395.310 2.026 20 0 GEADMO CN1CC[NH+](C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000378431848 647880625 /nfs/dbraw/zinc/88/06/25/647880625.db2.gz OZMDUQRQJHJTDZ-CQSZACIVSA-N 1 1 389.924 2.127 20 0 GEADMO Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1Cl ZINC000378439804 647881109 /nfs/dbraw/zinc/88/11/09/647881109.db2.gz VEOCHMDIMOAJFL-JKSUJKDBSA-N 1 1 385.961 2.295 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000385733593 647888037 /nfs/dbraw/zinc/88/80/37/647888037.db2.gz UIXOIWMJGUDLIV-VXGBXAGGSA-N 1 1 388.249 2.241 20 0 GEADMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000390005215 647892420 /nfs/dbraw/zinc/89/24/20/647892420.db2.gz RFAJNTFEHLIBBT-NSHDSACASA-N 1 1 377.304 2.220 20 0 GEADMO O=C1CCCN1CC[NH2+]Cc1ncc(Br)cc1Br ZINC000405351452 647911113 /nfs/dbraw/zinc/91/11/13/647911113.db2.gz DGNSWBNXKIBPQB-UHFFFAOYSA-N 1 1 377.080 2.319 20 0 GEADMO C[C@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)[NH+]1CCSCC1 ZINC000484424233 647916135 /nfs/dbraw/zinc/91/61/35/647916135.db2.gz JWIPCMWOHIIQOY-GFCCVEGCSA-N 1 1 376.448 2.456 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409687700 647978076 /nfs/dbraw/zinc/97/80/76/647978076.db2.gz PEEXQPZGUKTKRK-SZVBFZGTSA-N 1 1 392.341 2.015 20 0 GEADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000409698572 647978415 /nfs/dbraw/zinc/97/84/15/647978415.db2.gz DQANTSQEXJZAEY-KBPBESRZSA-N 1 1 385.302 2.443 20 0 GEADMO CC[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409706516 647979707 /nfs/dbraw/zinc/97/97/07/647979707.db2.gz FFYAYRYSHUIZQN-NSHDSACASA-N 1 1 376.238 2.126 20 0 GEADMO COc1ccc(Br)c(CS(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000410160891 647996052 /nfs/dbraw/zinc/99/60/52/647996052.db2.gz VJINKQJRNTZITB-ZDUSSCGKSA-N 1 1 391.331 2.314 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000411021333 648020415 /nfs/dbraw/zinc/02/04/15/648020415.db2.gz HQNYHBFVDHVIMB-INIZCTEOSA-N 1 1 396.329 2.349 20 0 GEADMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000411946558 648038459 /nfs/dbraw/zinc/03/84/59/648038459.db2.gz SPPZPBSOYQMQFI-CYBMUJFWSA-N 1 1 393.285 2.333 20 0 GEADMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000411946558 648038467 /nfs/dbraw/zinc/03/84/67/648038467.db2.gz SPPZPBSOYQMQFI-CYBMUJFWSA-N 1 1 393.285 2.333 20 0 GEADMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411949924 648039006 /nfs/dbraw/zinc/03/90/06/648039006.db2.gz WCPWOAVGWPOSSZ-ZFWWWQNUSA-N 1 1 396.329 2.206 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@@H+](C)C1 ZINC000413614015 648075484 /nfs/dbraw/zinc/07/54/84/648075484.db2.gz VYMQFHRSCPJHJK-CQSZACIVSA-N 1 1 398.301 2.004 20 0 GEADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000413635428 648077276 /nfs/dbraw/zinc/07/72/76/648077276.db2.gz COTROGKFJDVVNJ-CYBMUJFWSA-N 1 1 387.933 2.369 20 0 GEADMO C[C@@H](O)CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413888908 648081030 /nfs/dbraw/zinc/08/10/30/648081030.db2.gz YWGDVBMNXWIXJG-CYBMUJFWSA-N 1 1 384.318 2.484 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)CCc2ccc(C)cc2Br)CC[N@@H+](C)C1 ZINC000413895504 648081868 /nfs/dbraw/zinc/08/18/68/648081868.db2.gz FDSPOQAZKHDMRU-HNNXBMFYSA-N 1 1 397.313 2.253 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CC[N@@H+](C)C1 ZINC000413920606 648086407 /nfs/dbraw/zinc/08/64/07/648086407.db2.gz NKDPRPFFMGFQKZ-LBPRGKRZSA-N 1 1 389.279 2.326 20 0 GEADMO C[C@@H](Cn1cncn1)[NH2+]Cc1c(Br)cncc1Br ZINC000414295506 648091263 /nfs/dbraw/zinc/09/12/63/648091263.db2.gz FJTDLVALMCDLJP-QMMMGPOBSA-N 1 1 375.068 2.376 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1C(F)F ZINC000416415721 648119068 /nfs/dbraw/zinc/11/90/68/648119068.db2.gz URIYSZDNMPAMHI-ZDUSSCGKSA-N 1 1 376.473 2.209 20 0 GEADMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000416494057 648147851 /nfs/dbraw/zinc/14/78/51/648147851.db2.gz HMYCWNXALFFIQR-SNVBAGLBSA-N 1 1 381.723 2.474 20 0 GEADMO COc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416775546 648212273 /nfs/dbraw/zinc/21/22/73/648212273.db2.gz WFDWAVDNRWDESZ-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO COc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C 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GEADMO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418000095 648268656 /nfs/dbraw/zinc/26/86/56/648268656.db2.gz WISIQAKAIVLFOE-BXKDBHETSA-N 1 1 380.233 2.418 20 0 GEADMO C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C)C[N@H+]1CCO ZINC000418118191 648282311 /nfs/dbraw/zinc/28/23/11/648282311.db2.gz SNQXECJYEYGORF-OLZOCXBDSA-N 1 1 384.311 2.461 20 0 GEADMO C[C@H](NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419324389 648346946 /nfs/dbraw/zinc/34/69/46/648346946.db2.gz JZNXCIYKHYMJPI-ZNMIVQPWSA-N 1 1 398.345 2.013 20 0 GEADMO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1OC ZINC000419324042 648346977 /nfs/dbraw/zinc/34/69/77/648346977.db2.gz JLZDICNVJOAZGU-OLZOCXBDSA-N 1 1 387.318 2.353 20 0 GEADMO C[C@H](NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419324388 648347152 /nfs/dbraw/zinc/34/71/52/648347152.db2.gz JZNXCIYKHYMJPI-KKUMJFAQSA-N 1 1 398.345 2.013 20 0 GEADMO C[C@@H]1CN(C(=O)NCCc2ccc(Br)s2)[C@@H](C)C[N@H+]1CCO ZINC000419418848 648351618 /nfs/dbraw/zinc/35/16/18/648351618.db2.gz YQYVQGHKPSCCOR-NEPJUHHUSA-N 1 1 390.347 2.150 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(F)cc1Br ZINC000419433659 648352304 /nfs/dbraw/zinc/35/23/04/648352304.db2.gz INRMRWVOQYMKMB-RYUDHWBXSA-N 1 1 388.281 2.185 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419492368 648354598 /nfs/dbraw/zinc/35/45/98/648354598.db2.gz LKXZVIOERYCJFU-KGLIPLIRSA-N 1 1 384.318 2.354 20 0 GEADMO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000419807250 648380405 /nfs/dbraw/zinc/38/04/05/648380405.db2.gz FONIMDWCUVLHOC-VXGBXAGGSA-N 1 1 385.192 2.181 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420743872 648447814 /nfs/dbraw/zinc/44/78/14/648447814.db2.gz WVBZXOVBQPZPAM-LLVKDONJSA-N 1 1 395.308 2.495 20 0 GEADMO CNC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1Br ZINC000421114216 648467220 /nfs/dbraw/zinc/46/72/20/648467220.db2.gz TVUCVJFHNDLZRH-NSHDSACASA-N 1 1 383.290 2.367 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227236 648474552 /nfs/dbraw/zinc/47/45/52/648474552.db2.gz PYDJEZSMIQJXFL-IUODEOHRSA-N 1 1 394.313 2.137 20 0 GEADMO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000421377082 648488934 /nfs/dbraw/zinc/48/89/34/648488934.db2.gz HJIDPOZITKTIFS-CYBMUJFWSA-N 1 1 385.302 2.432 20 0 GEADMO CNC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000421385513 648489237 /nfs/dbraw/zinc/48/92/37/648489237.db2.gz GQDVITADOHNBBV-QMMMGPOBSA-N 1 1 391.107 2.362 20 0 GEADMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000421385513 648489240 /nfs/dbraw/zinc/48/92/40/648489240.db2.gz GQDVITADOHNBBV-QMMMGPOBSA-N 1 1 391.107 2.362 20 0 GEADMO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421473552 648494336 /nfs/dbraw/zinc/49/43/36/648494336.db2.gz PHMWCPZKPGKXKF-UHFFFAOYSA-N 1 1 384.498 2.495 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000422406696 648543916 /nfs/dbraw/zinc/54/39/16/648543916.db2.gz AVTYGYXNMMLLRI-TZMCWYRMSA-N 1 1 394.313 2.115 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422473572 648548496 /nfs/dbraw/zinc/54/84/96/648548496.db2.gz FQUBFMWLYSWORK-MRXNPFEDSA-N 1 1 396.329 2.049 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422498360 648551747 /nfs/dbraw/zinc/55/17/47/648551747.db2.gz XEPSSASVTJCQLE-AWEZNQCLSA-N 1 1 396.329 2.256 20 0 GEADMO CN1CC[NH2+]C[C@H]1CN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531188 648594799 /nfs/dbraw/zinc/59/47/99/648594799.db2.gz ZPKBSSJAJXKHOA-ROUUACIJSA-N 1 1 382.346 2.410 20 0 GEADMO COc1ccc(Br)c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1 ZINC000423954170 648605139 /nfs/dbraw/zinc/60/51/39/648605139.db2.gz RIEPPOGWLJUYFH-UHFFFAOYSA-N 1 1 396.329 2.404 20 0 GEADMO CC(C)(C)[C@H](C[NH3+])NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000423960057 648605801 /nfs/dbraw/zinc/60/58/01/648605801.db2.gz RVAYFYGYPATBDB-NSHDSACASA-N 1 1 386.237 2.271 20 0 GEADMO Cc1oc(Br)cc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000424732834 648642776 /nfs/dbraw/zinc/64/27/76/648642776.db2.gz RBSJGJLSMAWHTN-OAHLLOKOSA-N 1 1 393.281 2.500 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000424860678 648653830 /nfs/dbraw/zinc/65/38/30/648653830.db2.gz DZCULGKZUDJIGF-ZDUSSCGKSA-N 1 1 385.302 2.343 20 0 GEADMO O=C(Cc1noc2ccc(Br)cc21)NC[C@H]1CCC[N@@H+]1CCCO ZINC000424861719 648654006 /nfs/dbraw/zinc/65/40/06/648654006.db2.gz HEPBXDHKBMWFAJ-CYBMUJFWSA-N 1 1 396.285 2.096 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000424863524 648654437 /nfs/dbraw/zinc/65/44/37/648654437.db2.gz JOHZZNKRVNRGMK-CYBMUJFWSA-N 1 1 385.302 2.343 20 0 GEADMO COCCN1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000425368257 648674680 /nfs/dbraw/zinc/67/46/80/648674680.db2.gz JVSLWKJTCAXLCI-UHFFFAOYSA-N 1 1 384.318 2.396 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)s1 ZINC000425450927 648678082 /nfs/dbraw/zinc/67/80/82/648678082.db2.gz ZHXRFHMHMQEION-SFHVURJKSA-N 1 1 380.535 2.312 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425816282 648698339 /nfs/dbraw/zinc/69/83/39/648698339.db2.gz FXCCSRGMPYRQBS-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1Br ZINC000426972658 648719892 /nfs/dbraw/zinc/71/98/92/648719892.db2.gz HGCKGHZOYLGHLQ-FZMZJTMJSA-N 1 1 398.301 2.385 20 0 GEADMO O=C(NC[C@H](CO)Cc1cccc(Br)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000428594334 648740509 /nfs/dbraw/zinc/74/05/09/648740509.db2.gz DNLDZISRAWKKSA-GDBMZVCRSA-N 1 1 396.329 2.136 20 0 GEADMO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1n[nH]c2ccc(I)cc21 ZINC000428612320 648741166 /nfs/dbraw/zinc/74/11/66/648741166.db2.gz KREKHMXVOBSJMT-ZACCUICWSA-N 1 1 396.232 2.180 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000428620646 648741698 /nfs/dbraw/zinc/74/16/98/648741698.db2.gz LUANRBGUKIPCPX-KMFMINBZSA-N 1 1 398.345 2.382 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429007291 648742263 /nfs/dbraw/zinc/74/22/63/648742263.db2.gz VGQLETVNDGCSCP-CQSZACIVSA-N 1 1 399.264 2.200 20 0 GEADMO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429026044 648743907 /nfs/dbraw/zinc/74/39/07/648743907.db2.gz BTSZEVBDPQJOSD-XHDPSFHLSA-N 1 1 391.281 2.143 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429120417 648745117 /nfs/dbraw/zinc/74/51/17/648745117.db2.gz GPSDYAQGDVDYKR-HNNXBMFYSA-N 1 1 387.933 2.225 20 0 GEADMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000429720131 648751219 /nfs/dbraw/zinc/75/12/19/648751219.db2.gz FACJFGYWFFXZJJ-UONOGXRCSA-N 1 1 384.889 2.340 20 0 GEADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)no1 ZINC000430168384 648760572 /nfs/dbraw/zinc/76/05/72/648760572.db2.gz NYTMIBLWMILEEQ-ZDUSSCGKSA-N 1 1 396.285 2.080 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1csc(Br)c1 ZINC000435809550 648788346 /nfs/dbraw/zinc/78/83/46/648788346.db2.gz PPRBPFRXGYMWFT-LLVKDONJSA-N 1 1 390.347 2.497 20 0 GEADMO C[C@]1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000440834980 648815450 /nfs/dbraw/zinc/81/54/50/648815450.db2.gz BLYWMVDYTJJRNA-ZDUSSCGKSA-N 1 1 383.258 2.395 20 0 GEADMO COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000441033104 648818812 /nfs/dbraw/zinc/81/88/12/648818812.db2.gz OANOWUWRDSKKBP-IAQYHMDHSA-N 1 1 398.301 2.195 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000441094264 648819857 /nfs/dbraw/zinc/81/98/57/648819857.db2.gz PJVRLWNKCFOBHS-GHMZBOCLSA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000441094264 648819860 /nfs/dbraw/zinc/81/98/60/648819860.db2.gz PJVRLWNKCFOBHS-GHMZBOCLSA-N 1 1 386.265 2.468 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(O)c1 ZINC000442713392 648848022 /nfs/dbraw/zinc/84/80/22/648848022.db2.gz WNXDQJOYNKGIJL-CYBMUJFWSA-N 1 1 382.507 2.325 20 0 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[NH3+][C@H](C(=O)NCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000662363593 652457442 /nfs/dbraw/zinc/45/74/42/652457442.db2.gz DBYDIRZKORNUSF-HNNXBMFYSA-N 1 1 378.274 2.083 20 0 GEADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662368021 652457477 /nfs/dbraw/zinc/45/74/77/652457477.db2.gz KANGEWMRGFLGMS-DVOMOZLQSA-N 1 1 384.318 2.064 20 0 GEADMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662364382 652457542 /nfs/dbraw/zinc/45/75/42/652457542.db2.gz HXUNQWOVQHUABD-ZENOOKHLSA-N 1 1 398.345 2.453 20 0 GEADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C[C@H](C)O1 ZINC000662368024 652457622 /nfs/dbraw/zinc/45/76/22/652457622.db2.gz KANGEWMRGFLGMS-ZENOOKHLSA-N 1 1 384.318 2.064 20 0 GEADMO O=C(NCC/C=C/c1ccc(Br)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628335022 652457980 /nfs/dbraw/zinc/45/79/80/652457980.db2.gz DDWBXSIWIHTBDY-XMUUHYKESA-N 1 1 378.314 2.359 20 0 GEADMO O=C(NC[C@@H](O)COc1ccccc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662382712 652458315 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QCIJSEJLDNFMHY-OWOJBTEDSA-N 1 1 382.302 2.261 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(C)C ZINC000588225273 652550818 /nfs/dbraw/zinc/55/08/18/652550818.db2.gz PYVONWZIGWHGKG-OAHLLOKOSA-N 1 1 387.571 2.138 20 0 GEADMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000588839238 652556454 /nfs/dbraw/zinc/55/64/54/652556454.db2.gz YOFOUHGZJMRZQZ-BBRMVZONSA-N 1 1 385.302 2.443 20 0 GEADMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000588839238 652556458 /nfs/dbraw/zinc/55/64/58/652556458.db2.gz YOFOUHGZJMRZQZ-BBRMVZONSA-N 1 1 385.302 2.443 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000758828240 652556484 /nfs/dbraw/zinc/55/64/84/652556484.db2.gz KUUYKSGPSFLHJU-CZUORRHYSA-N 1 1 390.311 2.437 20 0 GEADMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cn1 ZINC000589458381 652567322 /nfs/dbraw/zinc/56/73/22/652567322.db2.gz UWXNHYHXDAXPPE-UHFFFAOYSA-N 1 1 389.297 2.396 20 0 GEADMO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000589700806 652571173 /nfs/dbraw/zinc/57/11/73/652571173.db2.gz ITLXAEHERKNBLD-HNNXBMFYSA-N 1 1 381.270 2.450 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)c(F)cc2I)C1 ZINC000590044042 652573351 /nfs/dbraw/zinc/57/33/51/652573351.db2.gz FYYVLHYAQSGTQE-SDBXPKJASA-N 1 1 392.187 2.346 20 0 GEADMO CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CCCCC2)s1 ZINC000666387191 652574602 /nfs/dbraw/zinc/57/46/02/652574602.db2.gz CTQLRKMCPDNMPV-UHFFFAOYSA-N 1 1 388.559 2.295 20 0 GEADMO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000632767730 652578952 /nfs/dbraw/zinc/57/89/52/652578952.db2.gz OVLGFLNEJFZVLU-OWCLPIDISA-N 1 1 387.281 2.407 20 0 GEADMO Cc1cc(Br)c(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)s1 ZINC000666638255 652581815 /nfs/dbraw/zinc/58/18/15/652581815.db2.gz AHJGIHYDTQJQGD-LBPRGKRZSA-N 1 1 390.347 2.465 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1oc2ccccc2c1Br ZINC000632890793 652582526 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O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824654852 653904262 /nfs/dbraw/zinc/90/42/62/653904262.db2.gz SAOBUTPCBVQATG-NFAWXSAZSA-N 1 1 380.286 2.459 20 0 GEADMO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824654852 653904269 /nfs/dbraw/zinc/90/42/69/653904269.db2.gz SAOBUTPCBVQATG-NFAWXSAZSA-N 1 1 380.286 2.459 20 0 GEADMO C[C@@H](Nc1ccc(Br)cc1-c1nn[nH]n1)[C@@H](C)[NH+]1CCOCC1 ZINC000824655872 653904402 /nfs/dbraw/zinc/90/44/02/653904402.db2.gz GJAQNUCHRVAJCU-GHMZBOCLSA-N 1 1 381.278 2.150 20 0 GEADMO C[NH+](C)CCN(C(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccccc1 ZINC000824658435 653904641 /nfs/dbraw/zinc/90/46/41/653904641.db2.gz ZSNVQBIZZDMRGS-UHFFFAOYSA-N 1 1 381.885 2.347 20 0 GEADMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897059785 653905759 /nfs/dbraw/zinc/90/57/59/653905759.db2.gz ZTLLWJFRQHQUQJ-LBPRGKRZSA-N 1 1 376.906 2.248 20 0 GEADMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897059785 653905763 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CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1=O ZINC000852023156 654213815 /nfs/dbraw/zinc/21/38/15/654213815.db2.gz WXSSCJQMAHIBNJ-OZVIIMIRSA-N 1 1 377.312 2.445 20 0 GEADMO C[N@H+](CCc1nc(-c2ccccc2)no1)CCn1cnc(Br)n1 ZINC000852039786 654214538 /nfs/dbraw/zinc/21/45/38/654214538.db2.gz GQRRSMXDOGKZKK-UHFFFAOYSA-N 1 1 377.246 2.265 20 0 GEADMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000802137876 654216505 /nfs/dbraw/zinc/21/65/05/654216505.db2.gz XMARAZPVJSFORR-LBPRGKRZSA-N 1 1 386.242 2.444 20 0 GEADMO C[N@@H+](C[C@@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000852337047 654233861 /nfs/dbraw/zinc/23/38/61/654233861.db2.gz IQKYCEMMZGTMNS-UPJWGTAASA-N 1 1 396.167 2.269 20 0 GEADMO C[C@@H](NC(=O)c1csc(I)n1)C1=CC[N@@H+](C)CC1 ZINC000831938111 654219130 /nfs/dbraw/zinc/21/91/30/654219130.db2.gz YMBFRFJGNCCQDF-MRVPVSSYSA-N 1 1 377.251 2.128 20 0 GEADMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903131091 654219704 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CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240744 654223956 /nfs/dbraw/zinc/22/39/56/654223956.db2.gz FIDCOUKQKLTVNZ-UONOGXRCSA-N 1 1 376.494 2.316 20 0 GEADMO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903206845 654226652 /nfs/dbraw/zinc/22/66/52/654226652.db2.gz UIIDFHDUUNBRNE-GXFFZTMASA-N 1 1 377.388 2.098 20 0 GEADMO Cc1cc(Br)ccc1[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903226594 654229006 /nfs/dbraw/zinc/22/90/06/654229006.db2.gz NODRDRQSLSYYGQ-NSHDSACASA-N 1 1 397.360 2.466 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)s1 ZINC000903231630 654230572 /nfs/dbraw/zinc/23/05/72/654230572.db2.gz NUYMGAHAHDKGTN-QMMMGPOBSA-N 1 1 389.362 2.219 20 0 GEADMO C[C@@H](NC(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1)c1ccc(Br)cc1 ZINC000852301620 654231244 /nfs/dbraw/zinc/23/12/44/654231244.db2.gz OPMJTQJOIRYSOO-GFCCVEGCSA-N 1 1 392.297 2.496 20 0 GEADMO C[C@@H](NC(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1)c1ccc(Br)cc1 ZINC000852301620 654231252 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GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(Br)cnc1Cl ZINC000833558782 654307934 /nfs/dbraw/zinc/30/79/34/654307934.db2.gz FGMCKKFHSNISOQ-NSHDSACASA-N 1 1 376.682 2.074 20 0 GEADMO COc1cc(CN2CC[C@@H](CC[NH3+])C2)cc(I)c1OC ZINC000904406520 654309837 /nfs/dbraw/zinc/30/98/37/654309837.db2.gz XSWCTZOGIMJCJE-LLVKDONJSA-N 1 1 390.265 2.479 20 0 GEADMO C[N@H+]1C[C@@H]2CN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)C[C@]2(C)C1 ZINC000904435785 654310707 /nfs/dbraw/zinc/31/07/07/654310707.db2.gz FXNJWIKASHKZGM-ZTFRIQLXSA-N 1 1 382.917 2.010 20 0 GEADMO O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921722943 654311659 /nfs/dbraw/zinc/31/16/59/654311659.db2.gz PSEGVVLXSYKODN-HIFRSBDPSA-N 1 1 380.583 2.443 20 0 GEADMO [NH3+][C@@H](Cc1nc(Cc2cc3c(cc2Br)OCO3)no1)C(F)F ZINC000904667673 654315303 /nfs/dbraw/zinc/31/53/03/654315303.db2.gz YJTFFSCNOHYZDU-QMMMGPOBSA-N 1 1 376.157 2.287 20 0 GEADMO CCN(CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000891857212 654315321 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CN(C[C@@H](O)C[NH2+]Cc1ncc(Br)s1)C(=O)OC(C)(C)C ZINC000872239857 654318858 /nfs/dbraw/zinc/31/88/58/654318858.db2.gz LMKCFKBHBNNTLJ-VIFPVBQESA-N 1 1 380.308 2.223 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000853787525 654321224 /nfs/dbraw/zinc/32/12/24/654321224.db2.gz YHMOABOGHAWZDG-SWLSCSKDSA-N 1 1 382.302 2.145 20 0 GEADMO O=C1C[C@H]([NH2+]Cc2nc(Br)c[nH]2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000921799023 654324986 /nfs/dbraw/zinc/32/49/86/654324986.db2.gz LHHOPBZEEGSDDN-MELADBBJSA-N 1 1 375.270 2.419 20 0 GEADMO Cn1ccc(-c2nc(C[NH2+]Cc3ccccc3CS(C)(=O)=O)cs2)n1 ZINC000921814652 654326462 /nfs/dbraw/zinc/32/64/62/654326462.db2.gz AQCFNOHNCVMYGR-UHFFFAOYSA-N 1 1 376.507 2.378 20 0 GEADMO O=C(NCCSCCC(F)(F)F)NC1CCC([NH+]2CCNCC2)CC1 ZINC000892132729 654330090 /nfs/dbraw/zinc/33/00/90/654330090.db2.gz TYCWHUHIYSZHLQ-UHFFFAOYSA-N 1 1 382.496 2.188 20 0 GEADMO Brc1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000892161695 654332177 /nfs/dbraw/zinc/33/21/77/654332177.db2.gz OPKNXIXPLJTRNH-UHFFFAOYSA-N 1 1 377.290 2.258 20 0 GEADMO C[C@@](O)(C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1)C(F)(F)C(F)(F)F ZINC000905145159 654334622 /nfs/dbraw/zinc/33/46/22/654334622.db2.gz BCZCDLDPDRBHAG-VXGBXAGGSA-N 1 1 375.359 2.311 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)nc1 ZINC000853994656 654335866 /nfs/dbraw/zinc/33/58/66/654335866.db2.gz CSCSTAQXZXKZQC-CYBMUJFWSA-N 1 1 395.301 2.021 20 0 GEADMO C[C@H](NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578672 654336264 /nfs/dbraw/zinc/33/62/64/654336264.db2.gz WXXJJJSZFAMWHG-JTQLQIEISA-N 1 1 375.336 2.109 20 0 GEADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ncc(Br)cn1 ZINC000892286397 654338271 /nfs/dbraw/zinc/33/82/71/654338271.db2.gz KJTMRSJFFLRZQD-XQQFMLRXSA-N 1 1 384.322 2.405 20 0 GEADMO Cc1nc(Cl)ccc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000805034610 654338779 /nfs/dbraw/zinc/33/87/79/654338779.db2.gz NSQSMRPMHNIOOJ-CHWSQXEVSA-N 1 1 375.922 2.211 20 0 GEADMO 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O=C(N[C@H](c1cccs1)C1CC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929275059 654677592 /nfs/dbraw/zinc/67/75/92/654677592.db2.gz FZTOCIXCUHLFPS-FMKPAKJESA-N 1 1 379.551 2.011 20 0 GEADMO CC[N@H+]1CCN(c2nnc(-c3cnsn3)n2Cc2cccs2)C[C@@H]1C ZINC000909908094 654681428 /nfs/dbraw/zinc/68/14/28/654681428.db2.gz DEOQTAZFWNKKEX-LBPRGKRZSA-N 1 1 375.527 2.437 20 0 GEADMO O[C@@H](C[N@H+](Cc1cc(Br)ccc1F)C1CC1)C[C@@]1(O)CCOC1 ZINC000929367410 654681419 /nfs/dbraw/zinc/68/14/19/654681419.db2.gz LHYRMMOLNXCSDI-WBVHZDCISA-N 1 1 388.277 2.455 20 0 GEADMO O[C@@H](C[N@@H+](Cc1cc(Br)ccc1F)C1CC1)C[C@@]1(O)CCOC1 ZINC000929367410 654681421 /nfs/dbraw/zinc/68/14/21/654681421.db2.gz LHYRMMOLNXCSDI-WBVHZDCISA-N 1 1 388.277 2.455 20 0 GEADMO COC(=O)c1cc(Br)c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000929521575 654686286 /nfs/dbraw/zinc/68/62/86/654686286.db2.gz TVKVHUQACIFKGI-GHMZBOCLSA-N 1 1 399.285 2.330 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCCc3sccc3C2)CCC1 ZINC000929599422 654688558 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CC(=O)NCC[N@@H+](CCO[C@@H]1CCOC1)Cc1ccc(Br)s1 ZINC000930345155 654706603 /nfs/dbraw/zinc/70/66/03/654706603.db2.gz QYQPGHBVUDLGNC-CYBMUJFWSA-N 1 1 391.331 2.254 20 0 GEADMO Cc1cccc(NCCNC(=O)Nc2cc(Br)c(=O)n(C)c2)[nH+]1 ZINC000930373344 654707711 /nfs/dbraw/zinc/70/77/11/654707711.db2.gz JYWKNWHTNHWKJI-UHFFFAOYSA-N 1 1 380.246 2.085 20 0 GEADMO O[C@H](C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446352 654710586 /nfs/dbraw/zinc/71/05/86/654710586.db2.gz OJJCRNUGBHCYTG-CQSZACIVSA-N 1 1 384.274 2.017 20 0 GEADMO O[C@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446352 654710589 /nfs/dbraw/zinc/71/05/89/654710589.db2.gz OJJCRNUGBHCYTG-CQSZACIVSA-N 1 1 384.274 2.017 20 0 GEADMO O[C@@H](C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446351 654710636 /nfs/dbraw/zinc/71/06/36/654710636.db2.gz OJJCRNUGBHCYTG-AWEZNQCLSA-N 1 1 384.274 2.017 20 0 GEADMO O[C@@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446351 654710640 /nfs/dbraw/zinc/71/06/40/654710640.db2.gz 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CS(=O)(=O)N1CC(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000930567522 654714110 /nfs/dbraw/zinc/71/41/10/654714110.db2.gz JLYJCVJDWYEEEH-AWEZNQCLSA-N 1 1 387.343 2.205 20 0 GEADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(=O)n(C)cc1Br ZINC000930583701 654714315 /nfs/dbraw/zinc/71/43/15/654714315.db2.gz VVQHJDGDFJHLOP-XQQFMLRXSA-N 1 1 384.318 2.244 20 0 GEADMO C[N@@H+](CCNC(=O)c1cc(Br)cnc1Br)C1CC1 ZINC000930649738 654716027 /nfs/dbraw/zinc/71/60/27/654716027.db2.gz YNEMYXJOVIURLV-UHFFFAOYSA-N 1 1 377.080 2.431 20 0 GEADMO OC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@@H]1O ZINC000930698941 654717332 /nfs/dbraw/zinc/71/73/32/654717332.db2.gz BZWXYACEJBBDIP-QRQLOZEOSA-N 1 1 392.293 2.435 20 0 GEADMO OC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H]1O ZINC000930698945 654717353 /nfs/dbraw/zinc/71/73/53/654717353.db2.gz BZWXYACEJBBDIP-YTQUADARSA-N 1 1 392.293 2.435 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000930761527 654719171 /nfs/dbraw/zinc/71/91/71/654719171.db2.gz PQVPQFYXBIKNDW-IXDOHACOSA-N 1 1 398.297 2.443 20 0 GEADMO C[C@@H]1[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@H+]1C ZINC000930807462 654720554 /nfs/dbraw/zinc/72/05/54/654720554.db2.gz UALHHLVQVDVQKU-ZYHUDNBSSA-N 1 1 379.262 2.244 20 0 GEADMO COC(=O)c1ccc(Br)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000931067994 654727989 /nfs/dbraw/zinc/72/79/89/654727989.db2.gz VVBQANJEHMSPGV-MRXNPFEDSA-N 1 1 397.313 2.267 20 0 GEADMO COCCOCCOCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000931333150 654738613 /nfs/dbraw/zinc/73/86/13/654738613.db2.gz VUJFRQOQJKLPQO-IAGOWNOFSA-N 1 1 388.302 2.236 20 0 GEADMO COCCOCCOCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000931333150 654738615 /nfs/dbraw/zinc/73/86/15/654738615.db2.gz VUJFRQOQJKLPQO-IAGOWNOFSA-N 1 1 388.302 2.236 20 0 GEADMO Cc1nn(C)c(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1C(F)(F)F ZINC000931367573 654739483 /nfs/dbraw/zinc/73/94/83/654739483.db2.gz FPQRWPBNZYNAPE-GHMZBOCLSA-N 1 1 377.436 2.449 20 0 GEADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000912092528 654742939 /nfs/dbraw/zinc/74/29/39/654742939.db2.gz PZZJTVZKRQMKSR-XLKFXECMSA-N 1 1 385.287 2.294 20 0 GEADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000912092528 654742941 /nfs/dbraw/zinc/74/29/41/654742941.db2.gz PZZJTVZKRQMKSR-XLKFXECMSA-N 1 1 385.287 2.294 20 0 GEADMO O[C@H](CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1)c1cc(Br)no1 ZINC000931494545 654744174 /nfs/dbraw/zinc/74/41/74/654744174.db2.gz XNUWMJMSOBJLFA-SOUVJXGZSA-N 1 1 378.270 2.429 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000931556585 654746655 /nfs/dbraw/zinc/74/66/55/654746655.db2.gz ABGGTZAWJKEHEN-RYUDHWBXSA-N 1 1 378.420 2.299 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccnc(Br)c3)CC2)C1 ZINC000931557309 654746782 /nfs/dbraw/zinc/74/67/82/654746782.db2.gz WGAZQPCJBXPZTF-CQSZACIVSA-N 1 1 382.306 2.088 20 0 GEADMO O=C(Nc1nnc(C2CCOCC2)s1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931568380 654746998 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O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178097697 532192703 /nfs/dbraw/zinc/19/27/03/532192703.db2.gz WIIVPGTUFVAOEK-LBPRGKRZSA-N 1 1 386.279 2.113 20 0 GEADMO C[C@@H](CCO)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000130682431 532193277 /nfs/dbraw/zinc/19/32/77/532193277.db2.gz SWFZZVJGKUPHKG-ZDUSSCGKSA-N 1 1 384.318 2.484 20 0 GEADMO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)COCc1ccccc1Cl ZINC000131617840 532200786 /nfs/dbraw/zinc/20/07/86/532200786.db2.gz NTCYMFZCDCDFIA-OAHLLOKOSA-N 1 1 377.934 2.363 20 0 GEADMO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COCc1ccccc1Cl ZINC000131617840 532200790 /nfs/dbraw/zinc/20/07/90/532200790.db2.gz NTCYMFZCDCDFIA-OAHLLOKOSA-N 1 1 377.934 2.363 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H](CO)c1cccc(Br)c1 ZINC000177944741 532187094 /nfs/dbraw/zinc/18/70/94/532187094.db2.gz LYAZUPPGVLVTNY-BLLLJJGKSA-N 1 1 382.302 2.266 20 0 GEADMO Cn1cc(Br)cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1=O ZINC000177973440 532188559 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C[N@@H+](CCc1cccs1)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000132117734 532209436 /nfs/dbraw/zinc/20/94/36/532209436.db2.gz MWPSFPZOFTXAFI-UHFFFAOYSA-N 1 1 376.873 2.490 20 0 GEADMO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178669375 532209474 /nfs/dbraw/zinc/20/94/74/532209474.db2.gz SMMLXIDMMKSXED-NHYWBVRUSA-N 1 1 380.286 2.226 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131638954 532201326 /nfs/dbraw/zinc/20/13/26/532201326.db2.gz BCHMRESXRXRAQA-CQSZACIVSA-N 1 1 389.924 2.270 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1Cl ZINC000133072464 532227034 /nfs/dbraw/zinc/22/70/34/532227034.db2.gz MUDBJKXLHOYLKC-LBPRGKRZSA-N 1 1 386.901 2.422 20 0 GEADMO C[C@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000133291453 532231828 /nfs/dbraw/zinc/23/18/28/532231828.db2.gz DQVCQIZNVLWPRR-NEPJUHHUSA-N 1 1 393.336 2.287 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132870743 532223138 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COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134466639 532256920 /nfs/dbraw/zinc/25/69/20/532256920.db2.gz MQQNWXUZHFUWAB-SNVBAGLBSA-N 1 1 379.404 2.021 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H]1c1ccccc1 ZINC000180195248 532260475 /nfs/dbraw/zinc/26/04/75/532260475.db2.gz ALFRFKOJBNKGRI-GJZGRUSLSA-N 1 1 376.254 2.313 20 0 GEADMO CC(C)C(=O)NCC[NH2+]Cc1ncc(Br)cc1Br ZINC000135278409 532269643 /nfs/dbraw/zinc/26/96/43/532269643.db2.gz KHZYCWZDUZVCNK-UHFFFAOYSA-N 1 1 379.096 2.468 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000180826243 532282345 /nfs/dbraw/zinc/28/23/45/532282345.db2.gz DSKHTKNBZMUUIO-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000180826243 532282349 /nfs/dbraw/zinc/28/23/49/532282349.db2.gz DSKHTKNBZMUUIO-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2F)[C@H](C)C1 ZINC000180830143 532282701 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CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000180471189 532272567 /nfs/dbraw/zinc/27/25/67/532272567.db2.gz ANXJJXGAPNVHTH-ZDUSSCGKSA-N 1 1 379.295 2.493 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000181359405 532296701 /nfs/dbraw/zinc/29/67/01/532296701.db2.gz WZJMUDSYZADXBQ-LBPRGKRZSA-N 1 1 384.322 2.158 20 0 GEADMO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144287455 532297165 /nfs/dbraw/zinc/29/71/65/532297165.db2.gz HJAKYKPWBKOZPC-AWEZNQCLSA-N 1 1 395.301 2.314 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)CC(=O)NCC(F)(F)F)[C@@H]1c1cccs1 ZINC000182047113 532308476 /nfs/dbraw/zinc/30/84/76/532308476.db2.gz DTCHEIADLIAOIF-XHDPSFHLSA-N 1 1 377.432 2.316 20 0 GEADMO C[C@H](CNC(=O)c1csc(I)c1)C[NH+]1CCOCC1 ZINC000150721160 532301556 /nfs/dbraw/zinc/30/15/56/532301556.db2.gz LNEYUBYOPVJXNN-SNVBAGLBSA-N 1 1 394.278 2.051 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000181699978 532304886 /nfs/dbraw/zinc/30/48/86/532304886.db2.gz WYQDHQMSZPXEMK-CYBMUJFWSA-N 1 1 393.336 2.477 20 0 GEADMO CCc1ccc(C[NH+]2CCN(C(=O)CC(=O)NCC(F)(F)F)CC2)s1 ZINC000182036146 532308666 /nfs/dbraw/zinc/30/86/66/532308666.db2.gz SVWNUMOFHFZETC-UHFFFAOYSA-N 1 1 377.432 2.023 20 0 GEADMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000181887731 532307287 /nfs/dbraw/zinc/30/72/87/532307287.db2.gz XOFPUHMFRQQOIU-OAHLLOKOSA-N 1 1 388.917 2.420 20 0 GEADMO COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000181887731 532307288 /nfs/dbraw/zinc/30/72/88/532307288.db2.gz XOFPUHMFRQQOIU-OAHLLOKOSA-N 1 1 388.917 2.420 20 0 GEADMO C[C@H](CNS(=O)(=O)c1cccc(I)c1)[N@@H+](C)C1CC1 ZINC000151147029 532307279 /nfs/dbraw/zinc/30/72/79/532307279.db2.gz CSYXYAYZVRVMCA-SNVBAGLBSA-N 1 1 394.278 2.052 20 0 GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)c1 ZINC000181938354 532307952 /nfs/dbraw/zinc/30/79/52/532307952.db2.gz AINOQBXQRHIPBT-OLZOCXBDSA-N 1 1 381.523 2.184 20 0 GEADMO COC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000183379978 532324810 /nfs/dbraw/zinc/32/48/10/532324810.db2.gz VVMUSBCPYDWLIM-IUODEOHRSA-N 1 1 391.461 2.138 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[N@@H+](C)C1CC1 ZINC000183523644 532325708 /nfs/dbraw/zinc/32/57/08/532325708.db2.gz HHJIHWPYMGUYQF-VIFPVBQESA-N 1 1 375.803 2.479 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000182266556 532311199 /nfs/dbraw/zinc/31/11/99/532311199.db2.gz XXQHRPYYADLYNW-CQSZACIVSA-N 1 1 397.313 2.396 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(Br)s1 ZINC000182376338 532312266 /nfs/dbraw/zinc/31/22/66/532312266.db2.gz ZXXUKJQGJHZDGZ-UHFFFAOYSA-N 1 1 389.363 2.290 20 0 GEADMO CCOC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)o1 ZINC000182651966 532315842 /nfs/dbraw/zinc/31/58/42/532315842.db2.gz LGFXPTRCBXTZAZ-UHFFFAOYSA-N 1 1 392.886 2.239 20 0 GEADMO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)oc1C ZINC000182658488 532316064 /nfs/dbraw/zinc/31/60/64/532316064.db2.gz MVFQAPUIJVAVJH-UHFFFAOYSA-N 1 1 386.495 2.121 20 0 GEADMO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[N@H+](C2CC2)CC1 ZINC000183342930 532323684 /nfs/dbraw/zinc/32/36/84/532323684.db2.gz KRUIYOJAJZDMBS-UHFFFAOYSA-N 1 1 394.269 2.090 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCSC2(CCOCC2)C1 ZINC000185607848 532338037 /nfs/dbraw/zinc/33/80/37/532338037.db2.gz FPXSZLKCXGCXRM-UHFFFAOYSA-N 1 1 381.567 2.414 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCSC2(CCOCC2)C1 ZINC000185607848 532338038 /nfs/dbraw/zinc/33/80/38/532338038.db2.gz FPXSZLKCXGCXRM-UHFFFAOYSA-N 1 1 381.567 2.414 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000185930089 532339191 /nfs/dbraw/zinc/33/91/91/532339191.db2.gz ZYIFOUAZFGVIMU-AWEZNQCLSA-N 1 1 385.302 2.381 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CC1 ZINC000185948880 532339233 /nfs/dbraw/zinc/33/92/33/532339233.db2.gz MGTAYFJHIMCXCX-UHFFFAOYSA-N 1 1 389.315 2.147 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000186021168 532339555 /nfs/dbraw/zinc/33/95/55/532339555.db2.gz RDAZVAREFJMKGW-AWEZNQCLSA-N 1 1 376.404 2.027 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1cccs1 ZINC000186056711 532339705 /nfs/dbraw/zinc/33/97/05/532339705.db2.gz PPOSCVJBNSOGRL-LLVKDONJSA-N 1 1 382.433 2.088 20 0 GEADMO CCN(C(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000186884264 532342300 /nfs/dbraw/zinc/34/23/00/532342300.db2.gz DUSKXAVFERGBQS-GFCCVEGCSA-N 1 1 390.908 2.339 20 0 GEADMO COc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)sc1Br ZINC000186886266 532342412 /nfs/dbraw/zinc/34/24/12/532342412.db2.gz AHMMNHWJGRFFOC-SNVBAGLBSA-N 1 1 391.331 2.436 20 0 GEADMO COc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)sc1Br ZINC000186886266 532342413 /nfs/dbraw/zinc/34/24/13/532342413.db2.gz AHMMNHWJGRFFOC-SNVBAGLBSA-N 1 1 391.331 2.436 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186978841 532342871 /nfs/dbraw/zinc/34/28/71/532342871.db2.gz DBWPWQXMHBVBNT-ZDUSSCGKSA-N 1 1 378.489 2.327 20 0 GEADMO O=C(CNC(=O)C[N@@H+]1CCCC2(CC2)C1)Nc1ccccc1Br ZINC000186978715 532342880 /nfs/dbraw/zinc/34/28/80/532342880.db2.gz NFZDYOKLLZTFSY-UHFFFAOYSA-N 1 1 380.286 2.380 20 0 GEADMO O=C(CNC(=O)C[N@H+]1CCCC2(CC2)C1)Nc1ccccc1Br ZINC000186978715 532342881 /nfs/dbraw/zinc/34/28/81/532342881.db2.gz NFZDYOKLLZTFSY-UHFFFAOYSA-N 1 1 380.286 2.380 20 0 GEADMO O[C@@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187082071 532343064 /nfs/dbraw/zinc/34/30/64/532343064.db2.gz ZOVYJZOODYBDNA-DYVFJYSZSA-N 1 1 387.293 2.276 20 0 GEADMO O[C@@H](C[N@H+]1CC[C@H](CN2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187082071 532343065 /nfs/dbraw/zinc/34/30/65/532343065.db2.gz ZOVYJZOODYBDNA-DYVFJYSZSA-N 1 1 387.293 2.276 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000187098394 532343163 /nfs/dbraw/zinc/34/31/63/532343163.db2.gz KZSZDRIWMOKKBP-GFCCVEGCSA-N 1 1 388.306 2.132 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187131011 532343210 /nfs/dbraw/zinc/34/32/10/532343210.db2.gz HAWPHYDFPIUABD-GFCCVEGCSA-N 1 1 386.290 2.296 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187131011 532343211 /nfs/dbraw/zinc/34/32/11/532343211.db2.gz HAWPHYDFPIUABD-GFCCVEGCSA-N 1 1 386.290 2.296 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187131029 532343312 /nfs/dbraw/zinc/34/33/12/532343312.db2.gz HAWPHYDFPIUABD-LBPRGKRZSA-N 1 1 386.290 2.296 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187131029 532343313 /nfs/dbraw/zinc/34/33/13/532343313.db2.gz HAWPHYDFPIUABD-LBPRGKRZSA-N 1 1 386.290 2.296 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183614956 532326597 /nfs/dbraw/zinc/32/65/97/532326597.db2.gz CLFLOKXDMIWHGC-NSHDSACASA-N 1 1 396.285 2.194 20 0 GEADMO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(Cl)c1Cl ZINC000183767453 532328670 /nfs/dbraw/zinc/32/86/70/532328670.db2.gz WXMZCAJZCDJXOO-LLVKDONJSA-N 1 1 396.340 2.042 20 0 GEADMO COc1ccc(CNC(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183917111 532329855 /nfs/dbraw/zinc/32/98/55/532329855.db2.gz DCXVTVQRQVCGCM-KRWDZBQOSA-N 1 1 393.281 2.397 20 0 GEADMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H](C)C1 ZINC000183892338 532330090 /nfs/dbraw/zinc/33/00/90/532330090.db2.gz LBOLFTYWBJVVPU-HZMBPMFUSA-N 1 1 396.285 2.239 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)CCc1cc(Cl)ccc1Br ZINC000183941821 532330317 /nfs/dbraw/zinc/33/03/17/532330317.db2.gz WJOCLJUMJWNQBT-UHFFFAOYSA-N 1 1 377.710 2.466 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)CCSc1ccc(Br)cc1 ZINC000183970561 532330414 /nfs/dbraw/zinc/33/04/14/532330414.db2.gz RKRMAZWXZFXLSP-UHFFFAOYSA-N 1 1 375.332 2.362 20 0 GEADMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(F)cc(Br)cc1F ZINC000184396789 532332498 /nfs/dbraw/zinc/33/24/98/532332498.db2.gz GYXVRKLFJLIIDF-LLVKDONJSA-N 1 1 390.272 2.483 20 0 GEADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1nc(C)cs1 ZINC000184388929 532332747 /nfs/dbraw/zinc/33/27/47/532332747.db2.gz IPJZEUYXIYTQIK-CYBMUJFWSA-N 1 1 382.511 2.087 20 0 GEADMO Cc1cc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cnc1Br ZINC000184622853 532333721 /nfs/dbraw/zinc/33/37/21/532333721.db2.gz GIJRBWPERRUFNK-CYBMUJFWSA-N 1 1 384.322 2.300 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184645054 532334102 /nfs/dbraw/zinc/33/41/02/532334102.db2.gz HFXRMZRMQUKCDV-UHFFFAOYSA-N 1 1 398.301 2.257 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)NCCCCCS(C)(=O)=O)c1ccccc1Cl ZINC000188205491 532347267 /nfs/dbraw/zinc/34/72/67/532347267.db2.gz LSBXBDSINCKNKQ-MRXNPFEDSA-N 1 1 389.949 2.457 20 0 GEADMO O=C(Cc1ccc(F)cc1Br)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000188254919 532347635 /nfs/dbraw/zinc/34/76/35/532347635.db2.gz WYYUSTFCMKCXLG-HNNXBMFYSA-N 1 1 387.293 2.484 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Br)cc2N)CC1 ZINC000188397908 532348040 /nfs/dbraw/zinc/34/80/40/532348040.db2.gz UIVWJQBAYVIQKQ-ZDUSSCGKSA-N 1 1 383.334 2.035 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000188638449 532348928 /nfs/dbraw/zinc/34/89/28/532348928.db2.gz ZDHFZKPGOBRUPH-NSHDSACASA-N 1 1 387.322 2.213 20 0 GEADMO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188716254 532349181 /nfs/dbraw/zinc/34/91/81/532349181.db2.gz SXYAWQFSJMMKNK-CYBMUJFWSA-N 1 1 385.302 2.375 20 0 GEADMO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188716254 532349182 /nfs/dbraw/zinc/34/91/82/532349182.db2.gz SXYAWQFSJMMKNK-CYBMUJFWSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2Br)[C@H](C)C1 ZINC000188690768 532349269 /nfs/dbraw/zinc/34/92/69/532349269.db2.gz KYQMOWATJMJRSM-CHWSQXEVSA-N 1 1 387.293 2.434 20 0 GEADMO COc1cc(Br)ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188754443 532349581 /nfs/dbraw/zinc/34/95/81/532349581.db2.gz ZSVYCHGMQYIUBB-GFCCVEGCSA-N 1 1 385.302 2.375 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000189338621 532351741 /nfs/dbraw/zinc/35/17/41/532351741.db2.gz WSTUMEMVOHLTQE-KGLIPLIRSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000189365192 532351907 /nfs/dbraw/zinc/35/19/07/532351907.db2.gz TYUPRFWJTQQLDQ-LLVKDONJSA-N 1 1 390.709 2.039 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)c1cccs1 ZINC000189358629 532352001 /nfs/dbraw/zinc/35/20/01/532352001.db2.gz HEPVOMQGSFBTFN-INIZCTEOSA-N 1 1 380.535 2.448 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Br ZINC000189406532 532352035 /nfs/dbraw/zinc/35/20/35/532352035.db2.gz DYAITDLNTCFTCQ-CYBMUJFWSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[N@@H+]1CCO ZINC000189397041 532352083 /nfs/dbraw/zinc/35/20/83/532352083.db2.gz CABGJPJGSGZUIW-NSHDSACASA-N 1 1 381.889 2.389 20 0 GEADMO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[N@H+]1CCO ZINC000189397041 532352084 /nfs/dbraw/zinc/35/20/84/532352084.db2.gz CABGJPJGSGZUIW-NSHDSACASA-N 1 1 381.889 2.389 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189412258 532352166 /nfs/dbraw/zinc/35/21/66/532352166.db2.gz RAGXCQZAAHCTNW-LLVKDONJSA-N 1 1 399.289 2.369 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000189952656 532354189 /nfs/dbraw/zinc/35/41/89/532354189.db2.gz BKNWQRYIHNRFCI-LLVKDONJSA-N 1 1 386.265 2.293 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000190290718 532355399 /nfs/dbraw/zinc/35/53/99/532355399.db2.gz RPKIIFAKCKFKSS-UHFFFAOYSA-N 1 1 386.539 2.482 20 0 GEADMO Cc1c(Br)cccc1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000190350671 532355701 /nfs/dbraw/zinc/35/57/01/532355701.db2.gz RZLKQRZESARDLQ-AWEZNQCLSA-N 1 1 382.346 2.442 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190354714 532355738 /nfs/dbraw/zinc/35/57/38/532355738.db2.gz VNQCAXQNKPHAHE-LSDHHAIUSA-N 1 1 380.286 2.473 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000190714503 532357606 /nfs/dbraw/zinc/35/76/06/532357606.db2.gz IGVFZYFNIFXOGB-DZGCQCFKSA-N 1 1 390.933 2.468 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000190714503 532357607 /nfs/dbraw/zinc/35/76/07/532357607.db2.gz IGVFZYFNIFXOGB-DZGCQCFKSA-N 1 1 390.933 2.468 20 0 GEADMO C[C@@H](O)C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)CO ZINC000190836854 532358296 /nfs/dbraw/zinc/35/82/96/532358296.db2.gz JPEIXLMQOVRQEU-QWHCGFSZSA-N 1 1 380.286 2.470 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187397819 532344320 /nfs/dbraw/zinc/34/43/20/532344320.db2.gz IBDNCTDZNURQIB-GFCCVEGCSA-N 1 1 387.311 2.074 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000187714652 532345216 /nfs/dbraw/zinc/34/52/16/532345216.db2.gz NFHSLHJBPGDPFW-UHFFFAOYSA-N 1 1 375.803 2.433 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000278049869 532372103 /nfs/dbraw/zinc/37/21/03/532372103.db2.gz JCUNGRRKJQNGSK-LLVKDONJSA-N 1 1 391.269 2.004 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)C3(c4ccc(I)cc4)CC3)[C@@H]2C1 ZINC000590443387 532372746 /nfs/dbraw/zinc/37/27/46/532372746.db2.gz INRAULPFINOTPC-SWLSCSKDSA-N 1 1 396.272 2.485 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000590443390 532372787 /nfs/dbraw/zinc/37/27/87/532372787.db2.gz INRAULPFINOTPC-WFASDCNBSA-N 1 1 396.272 2.485 20 0 GEADMO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000463436387 532373544 /nfs/dbraw/zinc/37/35/44/532373544.db2.gz NOQXZUAPZTZCDG-HNNXBMFYSA-N 1 1 385.302 2.397 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Br)[C@@H]2C1 ZINC000425205152 532373763 /nfs/dbraw/zinc/37/37/63/532373763.db2.gz BHHDPKWXWIYKSB-GXFFZTMASA-N 1 1 377.279 2.303 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000191969632 532376736 /nfs/dbraw/zinc/37/67/36/532376736.db2.gz ABLXILPJJCKAHU-SNVBAGLBSA-N 1 1 386.265 2.434 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@H](COC)C1 ZINC000294720346 532376892 /nfs/dbraw/zinc/37/68/92/532376892.db2.gz GCMPXOZIJUITOJ-STQMWFEESA-N 1 1 385.302 2.431 20 0 GEADMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cnn3C)cn2)CCO1 ZINC000278414107 532378299 /nfs/dbraw/zinc/37/82/99/532378299.db2.gz PPDGUOASMCHYDQ-GFCCVEGCSA-N 1 1 380.290 2.093 20 0 GEADMO C[C@H]1COCCN1CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000191478252 532361187 /nfs/dbraw/zinc/36/11/87/532361187.db2.gz QZLKTHGSAGSZOQ-ZDUSSCGKSA-N 1 1 375.282 2.103 20 0 GEADMO C[C@H]1COCCN1CC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000191478252 532361188 /nfs/dbraw/zinc/36/11/88/532361188.db2.gz QZLKTHGSAGSZOQ-ZDUSSCGKSA-N 1 1 375.282 2.103 20 0 GEADMO Cc1ccc(Br)nc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000191634865 532361726 /nfs/dbraw/zinc/36/17/26/532361726.db2.gz DGBUJHWPDBQLOY-UHFFFAOYSA-N 1 1 383.334 2.156 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557415055 532363095 /nfs/dbraw/zinc/36/30/95/532363095.db2.gz 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CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000677646921 532378530 /nfs/dbraw/zinc/37/85/30/532378530.db2.gz COGGRUSGCIUZJG-CVEARBPZSA-N 1 1 381.314 2.468 20 0 GEADMO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[NH+](C2CC2)CC1 ZINC000463263915 532371872 /nfs/dbraw/zinc/37/18/72/532371872.db2.gz XFMWXOFZXMXQSB-UHFFFAOYSA-N 1 1 380.286 2.374 20 0 GEADMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H](C)C1 ZINC000558027779 532380736 /nfs/dbraw/zinc/38/07/36/532380736.db2.gz UGTHBZYCBQUKIL-COPLHBTASA-N 1 1 387.265 2.422 20 0 GEADMO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(Br)c[nH]3)CC2)CC1 ZINC000677711684 532381571 /nfs/dbraw/zinc/38/15/71/532381571.db2.gz AKFSTLHOVYSDBW-UHFFFAOYSA-N 1 1 383.334 2.408 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C(C)C ZINC000558083765 532384026 /nfs/dbraw/zinc/38/40/26/532384026.db2.gz QQNIFVVBFNDKPY-UHFFFAOYSA-N 1 1 391.921 2.316 20 0 GEADMO C[C@H](CC[NH+](C)C)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463815098 532384076 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/nfs/dbraw/zinc/90/38/98/532903898.db2.gz UEUDXOYPZJFVJT-JTQLQIEISA-N 1 1 378.420 2.291 20 0 GEADMO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276950944 532904331 /nfs/dbraw/zinc/90/43/31/532904331.db2.gz DTJHFAMVPIHAEH-GDBMZVCRSA-N 1 1 376.881 2.164 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)o2)[C@H]1c1cccs1 ZINC000364313286 532905977 /nfs/dbraw/zinc/90/59/77/532905977.db2.gz DAXOTQGIPYLDSY-LRDDRELGSA-N 1 1 382.507 2.309 20 0 GEADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000291653332 532906384 /nfs/dbraw/zinc/90/63/84/532906384.db2.gz UUHWEVSCIRFRRE-CZUORRHYSA-N 1 1 379.302 2.392 20 0 GEADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000291653332 532906386 /nfs/dbraw/zinc/90/63/86/532906386.db2.gz UUHWEVSCIRFRRE-CZUORRHYSA-N 1 1 379.302 2.392 20 0 GEADMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000364371592 532906396 /nfs/dbraw/zinc/90/63/96/532906396.db2.gz XEGKJIYISUZWJY-UHFFFAOYSA-N 1 1 386.323 2.474 20 0 GEADMO COCCOCCOCC[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000291695942 532907521 /nfs/dbraw/zinc/90/75/21/532907521.db2.gz YLSYNHLBIQQLNZ-UHFFFAOYSA-N 1 1 386.290 2.208 20 0 GEADMO COCCOCCOCC[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000291695942 532907524 /nfs/dbraw/zinc/90/75/24/532907524.db2.gz YLSYNHLBIQQLNZ-UHFFFAOYSA-N 1 1 386.290 2.208 20 0 GEADMO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000291861227 532909740 /nfs/dbraw/zinc/90/97/40/532909740.db2.gz PJKYCHJHABJKOS-UHFFFAOYSA-N 1 1 398.301 2.428 20 0 GEADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CCCO1 ZINC000365318534 532909774 /nfs/dbraw/zinc/90/97/74/532909774.db2.gz WFFSVFQOLVCXBA-CXAGYDPISA-N 1 1 397.313 2.370 20 0 GEADMO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000365320143 532909795 /nfs/dbraw/zinc/90/97/95/532909795.db2.gz NQCOFIDAAABMTG-CHWSQXEVSA-N 1 1 386.279 2.220 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccccc3Br)CC2)C1 ZINC000365342864 532909914 /nfs/dbraw/zinc/90/99/14/532909914.db2.gz YQIQXNKEJBGKDX-MRXNPFEDSA-N 1 1 380.330 2.230 20 0 GEADMO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000291734186 532908226 /nfs/dbraw/zinc/90/82/26/532908226.db2.gz ANKNTWAFMFJMKS-ZDUSSCGKSA-N 1 1 384.278 2.183 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)[C@H](C)C1 ZINC000291759782 532908367 /nfs/dbraw/zinc/90/83/67/532908367.db2.gz NFJKNDMMYNBYKE-ZJUUUORDSA-N 1 1 378.420 2.289 20 0 GEADMO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000364855490 532908516 /nfs/dbraw/zinc/90/85/16/532908516.db2.gz IFYXFCZGYALEOW-KBPBESRZSA-N 1 1 385.917 2.170 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000365822143 532912244 /nfs/dbraw/zinc/91/22/44/532912244.db2.gz URTSHLIEGZLGGC-AAEUAGOBSA-N 1 1 395.579 2.341 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1n[nH]c(=S)s1 ZINC000365822143 532912246 /nfs/dbraw/zinc/91/22/46/532912246.db2.gz URTSHLIEGZLGGC-AAEUAGOBSA-N 1 1 395.579 2.341 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(I)o3)C2)C1 ZINC000292058204 532912405 /nfs/dbraw/zinc/91/24/05/532912405.db2.gz AOPNWTPFQJLFNQ-SJDLMVEWSA-N 1 1 386.233 2.452 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000291986221 532911528 /nfs/dbraw/zinc/91/15/28/532911528.db2.gz UGDQJBMKLFTUKJ-GHMZBOCLSA-N 1 1 390.347 2.474 20 0 GEADMO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000366252655 532915450 /nfs/dbraw/zinc/91/54/50/532915450.db2.gz ONUZZQDBFTXJFQ-ZDUSSCGKSA-N 1 1 381.864 2.326 20 0 GEADMO C[N@H+]1CC[C@]2(CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C2)C1 ZINC000292099718 532912914 /nfs/dbraw/zinc/91/29/14/532912914.db2.gz OVZIUSOBYMXADC-QAPCUYQASA-N 1 1 392.297 2.109 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)CC[N@H+](C2CCC2)C1 ZINC000292109627 532913152 /nfs/dbraw/zinc/91/31/52/532913152.db2.gz VLRJEEXRBGNABL-LBPRGKRZSA-N 1 1 388.331 2.339 20 0 GEADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000365962214 532913263 /nfs/dbraw/zinc/91/32/63/532913263.db2.gz CPVXICBTDRLPPW-ZDUSSCGKSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000365962214 532913265 /nfs/dbraw/zinc/91/32/65/532913265.db2.gz CPVXICBTDRLPPW-ZDUSSCGKSA-N 1 1 390.908 2.494 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@@H]12 ZINC000366331718 532916391 /nfs/dbraw/zinc/91/63/91/532916391.db2.gz OWMCPIYTTTUSRU-CHWSQXEVSA-N 1 1 390.237 2.199 20 0 GEADMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000366439421 532917452 /nfs/dbraw/zinc/91/74/52/532917452.db2.gz NJPDEWMAROFEDA-JKSUJKDBSA-N 1 1 375.918 2.369 20 0 GEADMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000366439421 532917453 /nfs/dbraw/zinc/91/74/53/532917453.db2.gz NJPDEWMAROFEDA-JKSUJKDBSA-N 1 1 375.918 2.369 20 0 GEADMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000366459184 532917489 /nfs/dbraw/zinc/91/74/89/532917489.db2.gz FOWPJCOAFXXMMT-STQMWFEESA-N 1 1 395.301 2.100 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000366459184 532917491 /nfs/dbraw/zinc/91/74/91/532917491.db2.gz FOWPJCOAFXXMMT-STQMWFEESA-N 1 1 395.301 2.100 20 0 GEADMO CC(C)C[NH+]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292687811 532917592 /nfs/dbraw/zinc/91/75/92/532917592.db2.gz FVEHQURAQOJBPJ-UHFFFAOYSA-N 1 1 392.301 2.168 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]12 ZINC000366484984 532917729 /nfs/dbraw/zinc/91/77/29/532917729.db2.gz UVUWUAVCONOETO-NXEZZACHSA-N 1 1 389.196 2.145 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366497597 532918085 /nfs/dbraw/zinc/91/80/85/532918085.db2.gz NIMLNZGOGHUZSQ-SFHVURJKSA-N 1 1 380.330 2.435 20 0 GEADMO Brc1ccccc1-c1nnc(CN2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000366502733 532918158 /nfs/dbraw/zinc/91/81/58/532918158.db2.gz DVCVBQBXBDQDMH-CYBMUJFWSA-N 1 1 393.285 2.406 20 0 GEADMO Brc1ccc(-c2noc(CN3CC[NH+]([C@H]4CCOC4)CC3)n2)s1 ZINC000366511486 532918365 /nfs/dbraw/zinc/91/83/65/532918365.db2.gz IGKFXCQIJDGELM-NSHDSACASA-N 1 1 399.314 2.467 20 0 GEADMO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292789581 532918591 /nfs/dbraw/zinc/91/85/91/532918591.db2.gz LIPUBHITQDCLNQ-KRWDZBQOSA-N 1 1 386.901 2.233 20 0 GEADMO OCc1cn([C@H]2CCC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)nn1 ZINC000292848743 532919360 /nfs/dbraw/zinc/91/93/60/532919360.db2.gz BQJOBSYFRDHVKZ-HNNXBMFYSA-N 1 1 399.264 2.388 20 0 GEADMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](Oc3ccc(Cl)cn3)C2)C1 ZINC000366669106 532919954 /nfs/dbraw/zinc/91/99/54/532919954.db2.gz NSMSOTCGXWXPIG-GOEBONIOSA-N 1 1 387.933 2.250 20 0 GEADMO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000366649250 532920067 /nfs/dbraw/zinc/92/00/67/532920067.db2.gz CGIXUPVCOXLPGG-CVEARBPZSA-N 1 1 390.908 2.230 20 0 GEADMO C[N@@H+](C[C@@H](O)COCC(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000292933078 532920116 /nfs/dbraw/zinc/92/01/16/532920116.db2.gz MVHUJIUSANLDQH-CHWSQXEVSA-N 1 1 386.208 2.354 20 0 GEADMO CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000293331143 532925288 /nfs/dbraw/zinc/92/52/88/532925288.db2.gz RQCNVLHLNLNQMW-ZDUSSCGKSA-N 1 1 392.244 2.416 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000293174041 532923017 /nfs/dbraw/zinc/92/30/17/532923017.db2.gz JKSCTCXFNZIRHW-QGZVFWFLSA-N 1 1 380.286 2.250 20 0 GEADMO O=C(C[C@H]1CCCS(=O)(=O)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000293237831 532923928 /nfs/dbraw/zinc/92/39/28/532923928.db2.gz ZPGFQCXOTIQONT-HZPDHXFCSA-N 1 1 384.567 2.291 20 0 GEADMO O=C(C[C@H]1CCCS(=O)(=O)C1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000293237831 532923930 /nfs/dbraw/zinc/92/39/30/532923930.db2.gz ZPGFQCXOTIQONT-HZPDHXFCSA-N 1 1 384.567 2.291 20 0 GEADMO O=S(=O)(c1cccnc1C(F)(F)F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367747179 532926941 /nfs/dbraw/zinc/92/69/41/532926941.db2.gz HXWGFBAGMMUKHH-YNEHKIRRSA-N 1 1 375.416 2.205 20 0 GEADMO CNC(=O)NCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000293528578 532928196 /nfs/dbraw/zinc/92/81/96/532928196.db2.gz QYJKRHLUABRGGT-UHFFFAOYSA-N 1 1 387.311 2.393 20 0 GEADMO CN(C)c1cc(Br)cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000293592519 532929249 /nfs/dbraw/zinc/92/92/49/532929249.db2.gz XEMXFFQNUYWWKE-UHFFFAOYSA-N 1 1 398.345 2.434 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccc(Br)cc3C)[C@H]2C1 ZINC000293344606 532925632 /nfs/dbraw/zinc/92/56/32/532925632.db2.gz SMBVCHHAFDZKCM-DLBZAZTESA-N 1 1 396.329 2.491 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H](C)[N@H+]1C ZINC000293684193 532930265 /nfs/dbraw/zinc/93/02/65/532930265.db2.gz XCCBFXGGFWXHDU-PHIMTYICSA-N 1 1 395.301 2.211 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H](C)[N@@H+]1C ZINC000293684193 532930266 /nfs/dbraw/zinc/93/02/66/532930266.db2.gz XCCBFXGGFWXHDU-PHIMTYICSA-N 1 1 395.301 2.211 20 0 GEADMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000368192693 532930661 /nfs/dbraw/zinc/93/06/61/532930661.db2.gz ZWOYFBUDLSGQLR-UHFFFAOYSA-N 1 1 386.568 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CC(=O)N1CC[NH+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000823982234 609187559 /nfs/dbraw/zinc/18/75/59/609187559.db2.gz XGESJPDHTHSUEQ-UHFFFAOYSA-N 1 1 397.508 2.204 20 0 GEADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824284702 609200782 /nfs/dbraw/zinc/20/07/82/609200782.db2.gz NFNSETLGTZFYEC-LJQANCHMSA-N 1 1 394.479 2.057 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000824885057 609215301 /nfs/dbraw/zinc/21/53/01/609215301.db2.gz QZOJAXIELVPFCG-WMLDXEAASA-N 1 1 379.468 2.320 20 0 GEADMO C[C@H]1C[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000824875361 609228150 /nfs/dbraw/zinc/22/81/50/609228150.db2.gz MCIUJNDUSJMRNO-GOEBONIOSA-N 1 1 379.468 2.225 20 0 GEADMO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000826468885 609230444 /nfs/dbraw/zinc/23/04/44/609230444.db2.gz LSNUPFDTPPOSTG-UHFFFAOYSA-N 1 1 391.479 2.323 20 0 GEADMO c1cc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCOCC3)o2)ccc1-c1nn[nH]n1 ZINC000826513055 609284139 /nfs/dbraw/zinc/28/41/39/609284139.db2.gz YWABMOPJGQEIQP-INIZCTEOSA-N 1 1 381.440 2.308 20 0 GEADMO Cc1ccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c(N2CCCC2)[nH+]1 ZINC000826288022 609284452 /nfs/dbraw/zinc/28/44/52/609284452.db2.gz NLFGDIMVARBZDM-UHFFFAOYSA-N 1 1 377.452 2.029 20 0 GEADMO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000824469782 609285262 /nfs/dbraw/zinc/28/52/62/609285262.db2.gz BZWNNDUKLHRKQA-KBXCAEBGSA-N 1 1 384.484 2.037 20 0 GEADMO C[C@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C1=CC[N@@H+](C)CC1 ZINC000824478824 609285376 /nfs/dbraw/zinc/28/53/76/609285376.db2.gz IVMLARZWYXFTLV-HNNXBMFYSA-N 1 1 384.484 2.182 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824906941 609312197 /nfs/dbraw/zinc/31/21/97/609312197.db2.gz FPEHWCBOAZVCEL-TXEJJXNPSA-N 1 1 384.419 2.003 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1-c1nn[nH]n1 ZINC000826231296 609315538 /nfs/dbraw/zinc/31/55/38/609315538.db2.gz FUSDSCPHQZRWKP-LLVKDONJSA-N 1 1 399.524 2.241 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000825317755 609315970 /nfs/dbraw/zinc/31/59/70/609315970.db2.gz ACBLLMVVEVNVBJ-OAHLLOKOSA-N 1 1 383.500 2.439 20 0 GEADMO C[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572058 609325884 /nfs/dbraw/zinc/32/58/84/609325884.db2.gz SJRTUCDUCITXCD-RDTXWAMCSA-N 1 1 396.470 2.076 20 0 GEADMO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572058 609325886 /nfs/dbraw/zinc/32/58/86/609325886.db2.gz SJRTUCDUCITXCD-RDTXWAMCSA-N 1 1 396.470 2.076 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000823821090 609365212 /nfs/dbraw/zinc/36/52/12/609365212.db2.gz OUACALRZGCMKCT-TZMCWYRMSA-N 1 1 378.274 2.488 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000823821318 609365655 /nfs/dbraw/zinc/36/56/55/609365655.db2.gz SKXZRPIAANGAGH-AWEZNQCLSA-N 1 1 377.290 2.299 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000826263060 609387303 /nfs/dbraw/zinc/38/73/03/609387303.db2.gz JRAAFBRTOQZYMB-QGZVFWFLSA-N 1 1 379.468 2.057 20 0 GEADMO O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2ccc(Cl)c(-c3nn[nH]n3)n2)C1 ZINC000826507404 609388877 /nfs/dbraw/zinc/38/88/77/609388877.db2.gz NUDLEVWBLPBOQR-CQSZACIVSA-N 1 1 385.859 2.094 20 0 GEADMO Clc1cccc(C[NH+]2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)c1 ZINC000826353474 609457648 /nfs/dbraw/zinc/45/76/48/609457648.db2.gz QPMNEMDYWMCTCF-UHFFFAOYSA-N 1 1 394.870 2.490 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825193994 609547040 /nfs/dbraw/zinc/54/70/40/609547040.db2.gz OJCLZBKRTYXYKO-CYBMUJFWSA-N 1 1 398.920 2.063 20 0 GEADMO Cc1nc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)ccc1Br ZINC000446537562 649982921 /nfs/dbraw/zinc/98/29/21/649982921.db2.gz GIISJYMTAQFPIJ-UHFFFAOYSA-N 1 1 397.317 2.472 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)ncc1Br ZINC000446538033 649982907 /nfs/dbraw/zinc/98/29/07/649982907.db2.gz FYJVHQUCQWWDMA-UHFFFAOYSA-N 1 1 383.290 2.034 20 0 GEADMO CCOC(=O)c1nnc(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000447170689 650000384 /nfs/dbraw/zinc/00/03/84/650000384.db2.gz XGWSAGRRHKPRSU-AWEZNQCLSA-N 1 1 379.507 2.226 20 0 GEADMO CCOC(=O)c1nnc(SC[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000447170689 650000385 /nfs/dbraw/zinc/00/03/85/650000385.db2.gz XGWSAGRRHKPRSU-AWEZNQCLSA-N 1 1 379.507 2.226 20 0 GEADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000447224022 650002361 /nfs/dbraw/zinc/00/23/61/650002361.db2.gz UWYUWLQPEYMSLU-RYUDHWBXSA-N 1 1 394.313 2.427 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000447224022 650002363 /nfs/dbraw/zinc/00/23/63/650002363.db2.gz UWYUWLQPEYMSLU-RYUDHWBXSA-N 1 1 394.313 2.427 20 0 GEADMO C[C@@H](C[NH3+])CNS(=O)(=O)c1scc(Br)c1Br ZINC000447250609 650003646 /nfs/dbraw/zinc/00/36/46/650003646.db2.gz NKLIGMHQTDXQOG-YFKPBYRVSA-N 1 1 392.138 2.146 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000447819091 650009037 /nfs/dbraw/zinc/00/90/37/650009037.db2.gz WTIMKBRQHVPKOI-GFCCVEGCSA-N 1 1 391.335 2.024 20 0 GEADMO Cn1cc(Br)cc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1=O ZINC000448004615 650012726 /nfs/dbraw/zinc/01/27/26/650012726.db2.gz PITKCZZXUSAZDP-ZDUSSCGKSA-N 1 1 385.306 2.390 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1-n1cc(Br)cn1 ZINC000448566866 650016757 /nfs/dbraw/zinc/01/67/57/650016757.db2.gz SLOKCIUCCZZVFO-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448694253 650019431 /nfs/dbraw/zinc/01/94/31/650019431.db2.gz LCSZXCPDVDWARR-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO C[N@H+](Cc1ccnc2c(Br)cccc12)C[C@@H](O)CN1CCOCC1 ZINC000449031800 650030695 /nfs/dbraw/zinc/03/06/95/650030695.db2.gz WDZVNFGPQFCJOR-OAHLLOKOSA-N 1 1 394.313 2.122 20 0 GEADMO CS(=O)(=O)c1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000449096969 650031559 /nfs/dbraw/zinc/03/15/59/650031559.db2.gz BCWAAVBQRHUKHL-UHFFFAOYSA-N 1 1 387.910 2.307 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1cccc(Br)c1F)N1CCSCC1 ZINC000449127193 650032334 /nfs/dbraw/zinc/03/23/34/650032334.db2.gz OIKWHINWMDOBML-UHFFFAOYSA-N 1 1 397.335 2.056 20 0 GEADMO COC(=O)Cn1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000449254659 650036001 /nfs/dbraw/zinc/03/60/01/650036001.db2.gz XVYGNBCBGDRDEF-MEDUHNTESA-N 1 1 397.273 2.079 20 0 GEADMO Cc1cc(Br)cn2c(CNC[C@@H]3CCC[N@@H+]3CCCO)cnc12 ZINC000449389360 650039872 /nfs/dbraw/zinc/03/98/72/650039872.db2.gz SDFRKCKDFQPOAL-HNNXBMFYSA-N 1 1 381.318 2.342 20 0 GEADMO Cc1cc(Br)cn2c(CNC[C@@H]3CCC[N@H+]3CCCO)cnc12 ZINC000449389360 650039876 /nfs/dbraw/zinc/03/98/76/650039876.db2.gz SDFRKCKDFQPOAL-HNNXBMFYSA-N 1 1 381.318 2.342 20 0 GEADMO COc1cc(Br)c(CNC[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449394990 650040034 /nfs/dbraw/zinc/04/00/34/650040034.db2.gz OYKNCIBYUBAJKM-CQSZACIVSA-N 1 1 387.318 2.403 20 0 GEADMO COc1cc(Br)c(CNC[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449394990 650040036 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Cc1nc([C@H]2CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)n[nH]1 ZINC000521980053 650621193 /nfs/dbraw/zinc/62/11/93/650621193.db2.gz YLYJIDLFPYOSKI-SMDDNHRTSA-N 1 1 399.264 2.244 20 0 GEADMO Cc1nc([C@H]2CC[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)n[nH]1 ZINC000521980053 650621194 /nfs/dbraw/zinc/62/11/94/650621194.db2.gz YLYJIDLFPYOSKI-SMDDNHRTSA-N 1 1 399.264 2.244 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480678596 650627750 /nfs/dbraw/zinc/62/77/50/650627750.db2.gz HZCKVJOKZKHLRA-NSHDSACASA-N 1 1 379.320 2.466 20 0 GEADMO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480690001 650627877 /nfs/dbraw/zinc/62/78/77/650627877.db2.gz QEPQQMHIESMONP-DPXNYUHVSA-N 1 1 380.329 2.024 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(I)cc2)C1 ZINC000522851646 650628688 /nfs/dbraw/zinc/62/86/88/650628688.db2.gz IAJSVBWYWZFGRK-CYBMUJFWSA-N 1 1 389.237 2.133 20 0 GEADMO C[C@@H](CNC(=O)NCc1n[nH]cc1Br)[N@H+]1CCc2ccccc2C1 ZINC000523169175 650632341 /nfs/dbraw/zinc/63/23/41/650632341.db2.gz HHFYEBFEBGYSJF-LBPRGKRZSA-N 1 1 392.301 2.418 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC000523201135 650632701 /nfs/dbraw/zinc/63/27/01/650632701.db2.gz HDTGRQAGZBIGCA-CYBMUJFWSA-N 1 1 394.313 2.403 20 0 GEADMO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCSCC1 ZINC000524285543 650639993 /nfs/dbraw/zinc/63/99/93/650639993.db2.gz ZGOYMYTUFVLMKT-NSHDSACASA-N 1 1 390.336 2.277 20 0 GEADMO CC(C)SCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000524504450 650642303 /nfs/dbraw/zinc/64/23/03/650642303.db2.gz AJIOVTQQZLACSM-UHFFFAOYSA-N 1 1 385.555 2.093 20 0 GEADMO CC(C)SCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000524504450 650642305 /nfs/dbraw/zinc/64/23/05/650642305.db2.gz AJIOVTQQZLACSM-UHFFFAOYSA-N 1 1 385.555 2.093 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000524776116 650646333 /nfs/dbraw/zinc/64/63/33/650646333.db2.gz VBQQACNUGHHIRY-KGLIPLIRSA-N 1 1 394.313 2.260 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525197314 650651511 /nfs/dbraw/zinc/65/15/11/650651511.db2.gz RTOGWCYROBVJCH-SNVBAGLBSA-N 1 1 398.248 2.239 20 0 GEADMO C[N@@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000525197314 650651512 /nfs/dbraw/zinc/65/15/12/650651512.db2.gz RTOGWCYROBVJCH-SNVBAGLBSA-N 1 1 398.248 2.239 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000525197314 650651513 /nfs/dbraw/zinc/65/15/13/650651513.db2.gz RTOGWCYROBVJCH-SNVBAGLBSA-N 1 1 398.248 2.239 20 0 GEADMO Cc1cc(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)no1 ZINC000525971726 650662018 /nfs/dbraw/zinc/66/20/18/650662018.db2.gz NBAHZWFTNFMHEE-UHFFFAOYSA-N 1 1 395.257 2.062 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000482278248 650663418 /nfs/dbraw/zinc/66/34/18/650663418.db2.gz OQNWLVVVEZOQMH-OAHLLOKOSA-N 1 1 377.432 2.205 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000482278248 650663419 /nfs/dbraw/zinc/66/34/19/650663419.db2.gz OQNWLVVVEZOQMH-OAHLLOKOSA-N 1 1 377.432 2.205 20 0 GEADMO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1)[NH+](C)C ZINC000526311225 650664415 /nfs/dbraw/zinc/66/44/15/650664415.db2.gz DGGGPMZXGSTFCS-QGZVFWFLSA-N 1 1 390.571 2.125 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000527040772 650665756 /nfs/dbraw/zinc/66/57/56/650665756.db2.gz KGCULNVLINYOIF-UHFFFAOYSA-N 1 1 387.571 2.413 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000527043749 650665911 /nfs/dbraw/zinc/66/59/11/650665911.db2.gz LXQAOAYBOMAZIR-ZIAGYGMSSA-N 1 1 390.933 2.374 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000483285436 650676252 /nfs/dbraw/zinc/67/62/52/650676252.db2.gz JYMZQFZWKMKBAR-UHFFFAOYSA-N 1 1 385.917 2.438 20 0 GEADMO CCn1cc(C[N@H+](CCO)C[C@@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000482874724 650670235 /nfs/dbraw/zinc/67/02/35/650670235.db2.gz JSRITGPSKOFTNQ-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1cc(C[N@@H+](CCO)C[C@@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000482874724 650670238 /nfs/dbraw/zinc/67/02/38/650670238.db2.gz JSRITGPSKOFTNQ-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@H+](CCO)CCC(=O)Nc1ccc(Br)cc1 ZINC000482898977 650670466 /nfs/dbraw/zinc/67/04/66/650670466.db2.gz PLYQJCYQJNMVCY-UHFFFAOYSA-N 1 1 395.301 2.489 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)CCC(=O)Nc1ccc(Br)cc1 ZINC000482898977 650670467 /nfs/dbraw/zinc/67/04/67/650670467.db2.gz PLYQJCYQJNMVCY-UHFFFAOYSA-N 1 1 395.301 2.489 20 0 GEADMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000527305580 650672794 /nfs/dbraw/zinc/67/27/94/650672794.db2.gz RKEYZGWUKRWNCZ-IGCXYCKISA-N 1 1 384.307 2.238 20 0 GEADMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000527305580 650672795 /nfs/dbraw/zinc/67/27/95/650672795.db2.gz RKEYZGWUKRWNCZ-IGCXYCKISA-N 1 1 384.307 2.238 20 0 GEADMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306692 650676505 /nfs/dbraw/zinc/67/65/05/650676505.db2.gz KBDIIKQKRKHTHU-GXFFZTMASA-N 1 1 378.803 2.352 20 0 GEADMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306692 650676508 /nfs/dbraw/zinc/67/65/08/650676508.db2.gz KBDIIKQKRKHTHU-GXFFZTMASA-N 1 1 378.803 2.352 20 0 GEADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000527506592 650677245 /nfs/dbraw/zinc/67/72/45/650677245.db2.gz HBLXAVSOBMIVQK-CQSZACIVSA-N 1 1 398.349 2.232 20 0 GEADMO C[C@H](CNC(=O)N[C@H](C)c1ccc(Br)cn1)C[NH+]1CCOCC1 ZINC000527515603 650677306 /nfs/dbraw/zinc/67/73/06/650677306.db2.gz PFXWPOWPMPRZBF-CHWSQXEVSA-N 1 1 385.306 2.173 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2ncc(Cl)cc2Br)C1 ZINC000527652131 650681351 /nfs/dbraw/zinc/68/13/51/650681351.db2.gz BOKLFABLSIZONC-LLVKDONJSA-N 1 1 389.725 2.175 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1Br ZINC000483721977 650681345 /nfs/dbraw/zinc/68/13/45/650681345.db2.gz CJPFZFCZIVTYOG-UHFFFAOYSA-N 1 1 398.276 2.389 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527911238 650682835 /nfs/dbraw/zinc/68/28/35/650682835.db2.gz NZQHDNDDYSTRJJ-DTWKUNHWSA-N 1 1 383.258 2.412 20 0 GEADMO COc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c(Br)c1O ZINC000484738962 650689466 /nfs/dbraw/zinc/68/94/66/650689466.db2.gz RMALICNTJWPVNZ-MRXNPFEDSA-N 1 1 390.274 2.346 20 0 GEADMO COC(=O)c1cc(OC)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000484766039 650690154 /nfs/dbraw/zinc/69/01/54/650690154.db2.gz XCFIVINPDJSERZ-GFCCVEGCSA-N 1 1 390.527 2.086 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000528351615 650690168 /nfs/dbraw/zinc/69/01/68/650690168.db2.gz QMXLINKPSHZPMD-LBPRGKRZSA-N 1 1 382.452 2.085 20 0 GEADMO C[N@@H+](CCN1CCN(C(=O)[C@H]2C[C@]2(C)Br)CC1)Cc1ccccc1 ZINC000528420614 650693070 /nfs/dbraw/zinc/69/30/70/650693070.db2.gz LLGYZKQBVILIBK-MJGOQNOKSA-N 1 1 394.357 2.436 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000485221505 650694539 /nfs/dbraw/zinc/69/45/39/650694539.db2.gz USKHNTSWFLTYSB-KBPBESRZSA-N 1 1 384.318 2.088 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485628837 650698254 /nfs/dbraw/zinc/69/82/54/650698254.db2.gz ORQSYVOYAYQBHG-QGZVFWFLSA-N 1 1 395.345 2.371 20 0 GEADMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000528537785 650695506 /nfs/dbraw/zinc/69/55/06/650695506.db2.gz PANOGCFMXBSICT-OAHLLOKOSA-N 1 1 380.501 2.328 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000485671795 650698388 /nfs/dbraw/zinc/69/83/88/650698388.db2.gz KIHMSEJMOLNWIR-LBPRGKRZSA-N 1 1 378.416 2.401 20 0 GEADMO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485597336 650697769 /nfs/dbraw/zinc/69/77/69/650697769.db2.gz FQYUQTYGSPMRRV-UHFFFAOYSA-N 1 1 382.302 2.008 20 0 GEADMO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000528915231 650699064 /nfs/dbraw/zinc/69/90/64/650699064.db2.gz IUWWPHPPBIKTPS-KONPQCLYSA-N 1 1 381.314 2.159 20 0 GEADMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2c(Br)cccc2C1 ZINC000485775403 650700257 /nfs/dbraw/zinc/70/02/57/650700257.db2.gz LWKPLEMRVHJZBA-NSHDSACASA-N 1 1 375.270 2.448 20 0 GEADMO C[N@@H+](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000485969298 650703946 /nfs/dbraw/zinc/70/39/46/650703946.db2.gz VGJLTCGVUSYUAX-NWDGAFQWSA-N 1 1 393.336 2.287 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000486446429 650713917 /nfs/dbraw/zinc/71/39/17/650713917.db2.gz NJZSXUSDLCAOMM-MWLCHTKSSA-N 1 1 389.880 2.056 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000486294869 650711212 /nfs/dbraw/zinc/71/12/12/650711212.db2.gz RPYOMHRBDOYOPI-UKRRQHHQSA-N 1 1 396.329 2.112 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000486641357 650717597 /nfs/dbraw/zinc/71/75/97/650717597.db2.gz BJNHWWKUCUGWDP-WFASDCNBSA-N 1 1 378.416 2.342 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C 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/nfs/dbraw/zinc/60/10/54/647601054.db2.gz GSXMMBJCXMSXGZ-MNOVXSKESA-N 1 1 395.308 2.144 20 0 GEADMO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000363571008 647601057 /nfs/dbraw/zinc/60/10/57/647601057.db2.gz GSXMMBJCXMSXGZ-MNOVXSKESA-N 1 1 395.308 2.144 20 0 GEADMO Cc1nn(C)c(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1Br ZINC000363992276 647616232 /nfs/dbraw/zinc/61/62/32/647616232.db2.gz FHZGLELWGHCCJD-SUMWQHHRSA-N 1 1 395.349 2.397 20 0 GEADMO Cc1nn(C)c(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1Br ZINC000363992276 647616241 /nfs/dbraw/zinc/61/62/41/647616241.db2.gz FHZGLELWGHCCJD-SUMWQHHRSA-N 1 1 395.349 2.397 20 0 GEADMO Cc1nc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000364336725 647622348 /nfs/dbraw/zinc/62/23/48/647622348.db2.gz JAFWZKFJMCHKGS-MRXNPFEDSA-N 1 1 380.539 2.345 20 0 GEADMO Cc1nc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000364336725 647622349 /nfs/dbraw/zinc/62/23/49/647622349.db2.gz JAFWZKFJMCHKGS-MRXNPFEDSA-N 1 1 380.539 2.345 20 0 GEADMO C[C@@H](C(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[NH+]1CCSCC1 ZINC000364414440 647626243 /nfs/dbraw/zinc/62/62/43/647626243.db2.gz GJTCAHSKLHPYNG-KBPBESRZSA-N 1 1 381.929 2.246 20 0 GEADMO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC000364911541 647648719 /nfs/dbraw/zinc/64/87/19/647648719.db2.gz IALSQRLBYWHOHH-ZDUSSCGKSA-N 1 1 380.901 2.292 20 0 GEADMO COCCC[N@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000365066717 647656165 /nfs/dbraw/zinc/65/61/65/647656165.db2.gz OOADOYFAFNNDPO-UHFFFAOYSA-N 1 1 376.366 2.162 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000365194977 647663581 /nfs/dbraw/zinc/66/35/81/647663581.db2.gz DENYJHLIQLLZHA-AWEZNQCLSA-N 1 1 376.254 2.395 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000365194977 647663586 /nfs/dbraw/zinc/66/35/86/647663586.db2.gz DENYJHLIQLLZHA-AWEZNQCLSA-N 1 1 376.254 2.395 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000365326823 647667066 /nfs/dbraw/zinc/66/70/66/647667066.db2.gz MHSVCHSPOSNFOD-INIZCTEOSA-N 1 1 384.293 2.440 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000365332269 647667737 /nfs/dbraw/zinc/66/77/37/647667737.db2.gz DUJKBKVWJLJLPT-CQSZACIVSA-N 1 1 384.293 2.440 20 0 GEADMO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365654455 647679616 /nfs/dbraw/zinc/67/96/16/647679616.db2.gz QMQRBCVZEUUBED-HOCLYGCPSA-N 1 1 397.313 2.432 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000365932192 647689242 /nfs/dbraw/zinc/68/92/42/647689242.db2.gz SUBJJLNTIJJBCE-UHFFFAOYSA-N 1 1 398.330 2.467 20 0 GEADMO C[C@]1(C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)NC(=O)NC1=O ZINC000365933196 647689833 /nfs/dbraw/zinc/68/98/33/647689833.db2.gz BNMJLNOXSMDMFW-MRXNPFEDSA-N 1 1 384.249 2.398 20 0 GEADMO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366557991 647701992 /nfs/dbraw/zinc/70/19/92/647701992.db2.gz SANWXTAMOPGGID-OAHLLOKOSA-N 1 1 392.297 2.406 20 0 GEADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051892 647716481 /nfs/dbraw/zinc/71/64/81/647716481.db2.gz FQRRWOCJSZCTTF-WBVHZDCISA-N 1 1 386.323 2.312 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051892 647716489 /nfs/dbraw/zinc/71/64/89/647716489.db2.gz FQRRWOCJSZCTTF-WBVHZDCISA-N 1 1 386.323 2.312 20 0 GEADMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCOCC(F)(F)C(F)(F)F)O1 ZINC000367219348 647724880 /nfs/dbraw/zinc/72/48/80/647724880.db2.gz MWQDBBVHPPQIDJ-KKOKHZNYSA-N 1 1 375.334 2.384 20 0 GEADMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCOCC(F)(F)C(F)(F)F)O1 ZINC000367219348 647724884 /nfs/dbraw/zinc/72/48/84/647724884.db2.gz MWQDBBVHPPQIDJ-KKOKHZNYSA-N 1 1 375.334 2.384 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000367764072 647743974 /nfs/dbraw/zinc/74/39/74/647743974.db2.gz UNFICDFMRJGDGO-IUODEOHRSA-N 1 1 380.286 2.249 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCSC[C@H]1c1nccs1 ZINC000368398388 647756193 /nfs/dbraw/zinc/75/61/93/647756193.db2.gz CWVBRIPBNOGZKR-KFWWJZLASA-N 1 1 382.555 2.196 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCSC[C@H]1c1nccs1 ZINC000368398388 647756198 /nfs/dbraw/zinc/75/61/98/647756198.db2.gz CWVBRIPBNOGZKR-KFWWJZLASA-N 1 1 382.555 2.196 20 0 GEADMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000369136151 647769989 /nfs/dbraw/zinc/76/99/89/647769989.db2.gz DHNRZVMTJNMGMS-INIZCTEOSA-N 1 1 388.343 2.071 20 0 GEADMO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369403024 647777229 /nfs/dbraw/zinc/77/72/29/647777229.db2.gz ITUPLFSRBKCNDJ-DZGCQCFKSA-N 1 1 379.448 2.484 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)c1Cl ZINC000369627896 647780723 /nfs/dbraw/zinc/78/07/23/647780723.db2.gz HWQSOSWWNNQDQT-WDEREUQCSA-N 1 1 392.930 2.211 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(C)c1Cl ZINC000369627896 647780727 /nfs/dbraw/zinc/78/07/27/647780727.db2.gz HWQSOSWWNNQDQT-WDEREUQCSA-N 1 1 392.930 2.211 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000371297246 647790957 /nfs/dbraw/zinc/79/09/57/647790957.db2.gz IPISNOLCVPFFIF-QWHCGFSZSA-N 1 1 386.279 2.301 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000371297246 647790964 /nfs/dbraw/zinc/79/09/64/647790964.db2.gz IPISNOLCVPFFIF-QWHCGFSZSA-N 1 1 386.279 2.301 20 0 GEADMO C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000372179999 647802494 /nfs/dbraw/zinc/80/24/94/647802494.db2.gz KKSDLJXCTBXGOQ-CPCISQLKSA-N 1 1 387.292 2.497 20 0 GEADMO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000374145489 647818645 /nfs/dbraw/zinc/81/86/45/647818645.db2.gz PYLNDZBLACIGHZ-HOCLYGCPSA-N 1 1 382.555 2.460 20 0 GEADMO CC(=O)OCCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376274155 647841001 /nfs/dbraw/zinc/84/10/01/647841001.db2.gz NIZNBTKZILRQQF-WBVHZDCISA-N 1 1 388.917 2.205 20 0 GEADMO Brc1cnc(Br)c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC000376437606 647846312 /nfs/dbraw/zinc/84/63/12/647846312.db2.gz VOUPEEOIKPCVGN-JTQLQIEISA-N 1 1 377.080 2.127 20 0 GEADMO Brc1cnc(Br)c(N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC000376437606 647846315 /nfs/dbraw/zinc/84/63/15/647846315.db2.gz VOUPEEOIKPCVGN-JTQLQIEISA-N 1 1 377.080 2.127 20 0 GEADMO COc1nc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ncc1Br ZINC000377970959 647873782 /nfs/dbraw/zinc/87/37/82/647873782.db2.gz MPAIRGJAKMDCLK-JSGCOSHPSA-N 1 1 378.274 2.748 20 0 GEADMO COc1cc(Br)c(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1OC ZINC000391417542 647893488 /nfs/dbraw/zinc/89/34/88/647893488.db2.gz PWISJUFSBMFUHS-UHFFFAOYSA-N 1 1 380.304 2.379 20 0 GEADMO C[C@@H]1C[C@@H](CO)C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000398633476 647899545 /nfs/dbraw/zinc/89/95/45/647899545.db2.gz QQJGJDLIHXMTKA-CHWSQXEVSA-N 1 1 376.316 2.173 20 0 GEADMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000398633476 647899548 /nfs/dbraw/zinc/89/95/48/647899548.db2.gz QQJGJDLIHXMTKA-CHWSQXEVSA-N 1 1 376.316 2.173 20 0 GEADMO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(I)cc2C)C[C@@H]1O ZINC000400040126 647902276 /nfs/dbraw/zinc/90/22/76/647902276.db2.gz OFIRLYQHMDLGLK-FZMZJTMJSA-N 1 1 388.249 2.241 20 0 GEADMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(I)cc2C)C[C@@H]1O ZINC000400040126 647902282 /nfs/dbraw/zinc/90/22/82/647902282.db2.gz OFIRLYQHMDLGLK-FZMZJTMJSA-N 1 1 388.249 2.241 20 0 GEADMO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405210967 647909583 /nfs/dbraw/zinc/90/95/83/647909583.db2.gz CQSBOYWHMGQNES-VHSXEESVSA-N 1 1 385.700 2.086 20 0 GEADMO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405210967 647909587 /nfs/dbraw/zinc/90/95/87/647909587.db2.gz CQSBOYWHMGQNES-VHSXEESVSA-N 1 1 385.700 2.086 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1I ZINC000405280389 647910383 /nfs/dbraw/zinc/91/03/83/647910383.db2.gz BBZFTQRGNFXJIW-MRVPVSSYSA-N 1 1 387.670 2.467 20 0 GEADMO CS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000409449532 647961122 /nfs/dbraw/zinc/96/11/22/647961122.db2.gz MNFHOTMLIRQUNB-NVXWUHKLSA-N 1 1 385.551 2.455 20 0 GEADMO CS(=O)(=O)c1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000409449532 647961126 /nfs/dbraw/zinc/96/11/26/647961126.db2.gz MNFHOTMLIRQUNB-NVXWUHKLSA-N 1 1 385.551 2.455 20 0 GEADMO C[N@@H+](CCCNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C1CCCCC1 ZINC000410370025 648002906 /nfs/dbraw/zinc/00/29/06/648002906.db2.gz ZNEKNWRWFLWDFM-UHFFFAOYSA-N 1 1 387.933 2.372 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000411019835 648020252 /nfs/dbraw/zinc/02/02/52/648020252.db2.gz FVVYBWUXJHTFSA-MRXNPFEDSA-N 1 1 396.329 2.349 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1)C1CC1 ZINC000411238068 648028783 /nfs/dbraw/zinc/02/87/83/648028783.db2.gz BUFFVZPMHCSZGX-UHFFFAOYSA-N 1 1 386.265 2.436 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411241343 648029162 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COC(=O)[C@H]1CN(C(=O)[C@@H](C)c2ccc(Br)s2)CC[N@@H+](C)C1 ZINC000413905283 648083845 /nfs/dbraw/zinc/08/38/45/648083845.db2.gz QKYGXEAODVDZOI-WDEREUQCSA-N 1 1 389.315 2.177 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2c(F)ccc(C)c2Br)CC[N@H+](C)C1 ZINC000413909287 648084339 /nfs/dbraw/zinc/08/43/39/648084339.db2.gz VZRYQJDYBSSMHM-LLVKDONJSA-N 1 1 387.249 2.073 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2c(F)ccc(C)c2Br)CC[N@@H+](C)C1 ZINC000413909287 648084344 /nfs/dbraw/zinc/08/43/44/648084344.db2.gz VZRYQJDYBSSMHM-LLVKDONJSA-N 1 1 387.249 2.073 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CC[N@H+](C)C1 ZINC000413913732 648085358 /nfs/dbraw/zinc/08/53/58/648085358.db2.gz FTWJEAAQWRVYEQ-JTQLQIEISA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CC[N@@H+](C)C1 ZINC000413913732 648085361 /nfs/dbraw/zinc/08/53/61/648085361.db2.gz FTWJEAAQWRVYEQ-JTQLQIEISA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+](C)C1 ZINC000413921128 648086469 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[NH3+]C1CCC(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000417722154 648259157 /nfs/dbraw/zinc/25/91/57/648259157.db2.gz GEOFIYDWLUQBHB-UHFFFAOYSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+]C1CCC(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000417722154 648259162 /nfs/dbraw/zinc/25/91/62/648259162.db2.gz GEOFIYDWLUQBHB-UHFFFAOYSA-N 1 1 393.289 2.303 20 0 GEADMO CC1(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000417726062 648259806 /nfs/dbraw/zinc/25/98/06/648259806.db2.gz JYACPOBUYYHDCJ-UHFFFAOYSA-N 1 1 393.289 2.176 20 0 GEADMO CC1(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]CC1 ZINC000417726062 648259810 /nfs/dbraw/zinc/25/98/10/648259810.db2.gz JYACPOBUYYHDCJ-UHFFFAOYSA-N 1 1 393.289 2.176 20 0 GEADMO CC(C)[C@H]([NH3+])CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417732147 648260376 /nfs/dbraw/zinc/26/03/76/648260376.db2.gz PJLZLGDHHITOGT-GFCCVEGCSA-N 1 1 381.278 2.017 20 0 GEADMO CC(C)[C@H]([NH3+])CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417732147 648260396 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384.311 2.461 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418526940 648299981 /nfs/dbraw/zinc/29/99/81/648299981.db2.gz SGGBSFKMZXIUJC-LBPRGKRZSA-N 1 1 396.207 2.265 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419130242 648335931 /nfs/dbraw/zinc/33/59/31/648335931.db2.gz ZMQJYKFEPZPVKR-CYBMUJFWSA-N 1 1 387.839 2.317 20 0 GEADMO CN(C)C(=O)[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000419202143 648341902 /nfs/dbraw/zinc/34/19/02/648341902.db2.gz GEYIUGZVWIQYQN-MRXNPFEDSA-N 1 1 378.270 2.030 20 0 GEADMO C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)[C@@H](C)C[N@H+]1CCO ZINC000419344568 648348951 /nfs/dbraw/zinc/34/89/51/648348951.db2.gz SBLJCBZRZJSLDL-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)[C@@H](C)CN1CCO ZINC000419344568 648348956 /nfs/dbraw/zinc/34/89/56/648348956.db2.gz SBLJCBZRZJSLDL-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H](C)CN1CCO ZINC000419344568 648348961 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GEADMO C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)C[N@H+]1CCO ZINC000419451831 648353358 /nfs/dbraw/zinc/35/33/58/648353358.db2.gz VPJIACVGJLDJST-NEPJUHHUSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000419451372 648353543 /nfs/dbraw/zinc/35/35/43/648353543.db2.gz NIDAYYOWKXGSFN-KBPBESRZSA-N 1 1 384.318 2.088 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419477619 648353881 /nfs/dbraw/zinc/35/38/81/648353881.db2.gz RROLAYGEYIARFW-RBSFLKMASA-N 1 1 398.345 2.477 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419492462 648354356 /nfs/dbraw/zinc/35/43/56/648354356.db2.gz LKXZVIOERYCJFU-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO CCC[C@H](O)[C@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000419825618 648382629 /nfs/dbraw/zinc/38/26/29/648382629.db2.gz QITHSHSZUGPEPC-RYUDHWBXSA-N 1 1 382.096 2.218 20 0 GEADMO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000419825619 648382813 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C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@H]1COC[C@H]1O ZINC000576323936 652106422 /nfs/dbraw/zinc/10/64/22/652106422.db2.gz FJKYVKVQTPRWCC-CWRNSKLLSA-N 1 1 386.286 2.198 20 0 GEADMO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@H]1COC[C@H]1O ZINC000576323936 652106436 /nfs/dbraw/zinc/10/64/36/652106436.db2.gz FJKYVKVQTPRWCC-CWRNSKLLSA-N 1 1 386.286 2.198 20 0 GEADMO CCC[N@@H+](C)CC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000620626769 652109855 /nfs/dbraw/zinc/10/98/55/652109855.db2.gz SWEZVEWGUIQRSM-UHFFFAOYSA-N 1 1 389.949 2.197 20 0 GEADMO CCC[N@@H+](C)CC(C)(C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000620626284 652110041 /nfs/dbraw/zinc/11/00/41/652110041.db2.gz MSXOERASBDRPGY-UHFFFAOYSA-N 1 1 384.318 2.416 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000746619237 652117884 /nfs/dbraw/zinc/11/78/84/652117884.db2.gz WJFKZUPNEOHMRD-GFCCVEGCSA-N 1 1 379.917 2.345 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000746638734 652118778 /nfs/dbraw/zinc/11/87/78/652118778.db2.gz GGWCKVSUJIZNBS-UHFFFAOYSA-N 1 1 387.933 2.342 20 0 GEADMO O=C(CCn1cc(Br)cn1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620771142 652120041 /nfs/dbraw/zinc/12/00/41/652120041.db2.gz WKPVNFJCKHPNGG-MRXNPFEDSA-N 1 1 377.286 2.426 20 0 GEADMO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ncc(Br)cn1 ZINC000576600332 652130821 /nfs/dbraw/zinc/13/08/21/652130821.db2.gz YXPFVRFYSYPYKW-BLLLJJGKSA-N 1 1 382.306 2.427 20 0 GEADMO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621250887 652137298 /nfs/dbraw/zinc/13/72/98/652137298.db2.gz WKTWMNQTCDKHQE-UHFFFAOYSA-N 1 1 391.273 2.003 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000576915672 652153583 /nfs/dbraw/zinc/15/35/83/652153583.db2.gz CSLAUXIZSKTQTH-GFCCVEGCSA-N 1 1 385.306 2.416 20 0 GEADMO O=C(Nc1cccc(Br)c1F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657535269 652171207 /nfs/dbraw/zinc/17/12/07/652171207.db2.gz LGWNOIDMLPMJJK-AAEUAGOBSA-N 1 1 384.249 2.270 20 0 GEADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657546633 652171757 /nfs/dbraw/zinc/17/17/57/652171757.db2.gz YWVUUNRVDBHGRO-UHFFFAOYSA-N 1 1 386.265 2.327 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564040 652173394 /nfs/dbraw/zinc/17/33/94/652173394.db2.gz RZRXLLOJWNXGTD-LBPRGKRZSA-N 1 1 390.347 2.059 20 0 GEADMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564040 652173399 /nfs/dbraw/zinc/17/33/99/652173399.db2.gz RZRXLLOJWNXGTD-LBPRGKRZSA-N 1 1 390.347 2.059 20 0 GEADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657577982 652174783 /nfs/dbraw/zinc/17/47/83/652174783.db2.gz IBXCJERICWRDGB-LLVKDONJSA-N 1 1 386.265 2.375 20 0 GEADMO COc1ccc(N2C[C@@H]([NH2+]Cc3c(Br)cnn3C)CC2=O)cc1 ZINC000657602446 652178694 /nfs/dbraw/zinc/17/86/94/652178694.db2.gz ODPKXPYSXHNIFJ-NSHDSACASA-N 1 1 379.258 2.086 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657650696 652186052 /nfs/dbraw/zinc/18/60/52/652186052.db2.gz 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ZINC000657758379 652201796 /nfs/dbraw/zinc/20/17/96/652201796.db2.gz AKFHWLNVQBDNGX-UHFFFAOYSA-N 1 1 378.288 2.220 20 0 GEADMO CC[N@@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622330 652202751 /nfs/dbraw/zinc/20/27/51/652202751.db2.gz NLUTVBOQDJELPI-QGZVFWFLSA-N 1 1 398.345 2.412 20 0 GEADMO CCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622330 652202763 /nfs/dbraw/zinc/20/27/63/652202763.db2.gz NLUTVBOQDJELPI-QGZVFWFLSA-N 1 1 398.345 2.412 20 0 GEADMO CC[N@@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622329 652202791 /nfs/dbraw/zinc/20/27/91/652202791.db2.gz NLUTVBOQDJELPI-KRWDZBQOSA-N 1 1 398.345 2.412 20 0 GEADMO CCN(C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622329 652202798 /nfs/dbraw/zinc/20/27/98/652202798.db2.gz NLUTVBOQDJELPI-KRWDZBQOSA-N 1 1 398.345 2.412 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657825367 652209201 /nfs/dbraw/zinc/20/92/01/652209201.db2.gz YXGLQRHWVFURCH-NSHDSACASA-N 1 1 386.265 2.327 20 0 GEADMO CSc1nn(C)c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(N)=O ZINC000577741821 652212475 /nfs/dbraw/zinc/21/24/75/652212475.db2.gz FPHHEIPFCZQTKF-LBPRGKRZSA-N 1 1 381.889 2.136 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623016558 652214566 /nfs/dbraw/zinc/21/45/66/652214566.db2.gz ALXZTWKCUMTHSL-GFCCVEGCSA-N 1 1 393.289 2.029 20 0 GEADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(Br)c3F)C2)C1 ZINC000657969888 652223443 /nfs/dbraw/zinc/22/34/43/652223443.db2.gz GLWVUJPMXIKJKX-QGZVFWFLSA-N 1 1 398.276 2.471 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658126438 652238569 /nfs/dbraw/zinc/23/85/69/652238569.db2.gz PRRYCXRFYGGTQB-CYBMUJFWSA-N 1 1 398.301 2.385 20 0 GEADMO C[C@H](CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[NH+]1CCCC1 ZINC000749264432 652243507 /nfs/dbraw/zinc/24/35/07/652243507.db2.gz CJZGGBAITDTONX-LLVKDONJSA-N 1 1 389.315 2.067 20 0 GEADMO CCc1ocnc1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000578116517 652244627 /nfs/dbraw/zinc/24/46/27/652244627.db2.gz GQTNDOGHEPOGLE-UHFFFAOYSA-N 1 1 394.273 2.399 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623599565 652248738 /nfs/dbraw/zinc/24/87/38/652248738.db2.gz LNUIWHXXBJKTGO-MAVJXHJTSA-N 1 1 395.345 2.397 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623710156 652255526 /nfs/dbraw/zinc/25/55/26/652255526.db2.gz WXNJBNMNVASGMW-UHFFFAOYSA-N 1 1 394.260 2.495 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(C)c(Br)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000658362632 652256304 /nfs/dbraw/zinc/25/63/04/652256304.db2.gz VWCGZGYKACPAOM-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000658363132 652257422 /nfs/dbraw/zinc/25/74/22/652257422.db2.gz ZGROSPYJVVRJLA-NSHDSACASA-N 1 1 375.803 2.433 20 0 GEADMO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000658364571 652257489 /nfs/dbraw/zinc/25/74/89/652257489.db2.gz BPJHKNPEARODBZ-LLVKDONJSA-N 1 1 377.304 2.220 20 0 GEADMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658377041 652260045 /nfs/dbraw/zinc/26/00/45/652260045.db2.gz NNNDFMAKVJCXAT-ZDUSSCGKSA-N 1 1 379.295 2.492 20 0 GEADMO Cc1cccc(CC(=O)NCCCCN2CC[NH+](C)CC2)c1Br ZINC000624051461 652268070 /nfs/dbraw/zinc/26/80/70/652268070.db2.gz DJFDYJNBIKIJJT-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000624070360 652268440 /nfs/dbraw/zinc/26/84/40/652268440.db2.gz GDFTZSBNXNRFIJ-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658434063 652271510 /nfs/dbraw/zinc/27/15/10/652271510.db2.gz TYCPQTHCJLHYMM-OAHLLOKOSA-N 1 1 396.329 2.397 20 0 GEADMO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658468605 652277813 /nfs/dbraw/zinc/27/78/13/652277813.db2.gz VQZNYIDEBLUUFJ-GFCCVEGCSA-N 1 1 383.290 2.034 20 0 GEADMO CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000658480182 652279202 /nfs/dbraw/zinc/27/92/02/652279202.db2.gz AYESHIIMXPVKRM-HDJSIYSDSA-N 1 1 398.301 2.133 20 0 GEADMO COC[C@@]1(C)CC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000578593189 652280380 /nfs/dbraw/zinc/28/03/80/652280380.db2.gz XOJZJVGFHVFTBR-PBHICJAKSA-N 1 1 381.270 2.439 20 0 GEADMO O=C(OCCC[NH+]1CCOCC1)c1cccc(F)c1I ZINC000750094261 652281341 /nfs/dbraw/zinc/28/13/41/652281341.db2.gz ZKRDRWOSLGYABT-UHFFFAOYSA-N 1 1 393.196 2.309 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN(Cc1csc(Br)c1)C1CC1 ZINC000578761937 652291502 /nfs/dbraw/zinc/29/15/02/652291502.db2.gz UUGFDBDZNRLZFI-AWEZNQCLSA-N 1 1 377.348 2.414 20 0 GEADMO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624788684 652303009 /nfs/dbraw/zinc/30/30/09/652303009.db2.gz YPGCNXUXJOJKOL-OAHLLOKOSA-N 1 1 384.322 2.304 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000578930462 652304264 /nfs/dbraw/zinc/30/42/64/652304264.db2.gz WXPZRXMBDFRJRS-UHFFFAOYSA-N 1 1 396.329 2.182 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000750734174 652307940 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O=C(CCn1cc(Br)ccc1=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000582460910 652451360 /nfs/dbraw/zinc/45/13/60/652451360.db2.gz CJAJVKZPGURSSJ-OAHLLOKOSA-N 1 1 382.302 2.134 20 0 GEADMO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@H+](C)CC1=CCSC1 ZINC000662270580 652454914 /nfs/dbraw/zinc/45/49/14/652454914.db2.gz RTEODLHUNXXUIM-UHFFFAOYSA-N 1 1 379.551 2.410 20 0 GEADMO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+](C)CC1=CCSC1 ZINC000662270580 652454918 /nfs/dbraw/zinc/45/49/18/652454918.db2.gz RTEODLHUNXXUIM-UHFFFAOYSA-N 1 1 379.551 2.410 20 0 GEADMO [NH3+][C@@H](C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000662399437 652459116 /nfs/dbraw/zinc/45/91/16/652459116.db2.gz UGVFKOBDHUFOBF-ZWNOBZJWSA-N 1 1 394.235 2.449 20 0 GEADMO O=C(NCCC[N@@H+](CCO)Cc1cc(Br)cs1)C(F)(F)F ZINC000755180570 652459479 /nfs/dbraw/zinc/45/94/79/652459479.db2.gz NHRUJQAEDMYFJJ-UHFFFAOYSA-N 1 1 389.237 2.374 20 0 GEADMO O=C(NCCC[N@H+](CCO)Cc1cc(Br)cs1)C(F)(F)F ZINC000755180570 652459483 /nfs/dbraw/zinc/45/94/83/652459483.db2.gz 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2.378 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1Br ZINC000662501646 652464806 /nfs/dbraw/zinc/46/48/06/652464806.db2.gz KPUVCKZNJHVEOT-BBRMVZONSA-N 1 1 394.313 2.356 20 0 GEADMO C[NH2+][C@@H](C(=O)Nc1cnn(CC(=O)N(C)C)c1)c1cccc(Cl)c1Cl ZINC000662528508 652466128 /nfs/dbraw/zinc/46/61/28/652466128.db2.gz RWYJTHUUFUVVHY-OAHLLOKOSA-N 1 1 384.267 2.177 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000583009969 652470884 /nfs/dbraw/zinc/47/08/84/652470884.db2.gz NRQSGWAZCOMOPC-ZDUSSCGKSA-N 1 1 384.322 2.056 20 0 GEADMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000583020642 652471180 /nfs/dbraw/zinc/47/11/80/652471180.db2.gz QLJJQWZPCRYZQE-ZDUSSCGKSA-N 1 1 383.290 2.325 20 0 GEADMO CC(=O)NCC[N@@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000583022838 652471729 /nfs/dbraw/zinc/47/17/29/652471729.db2.gz FZGWRJHFHNQDFG-MRXNPFEDSA-N 1 1 382.302 2.321 20 0 GEADMO CC(=O)NCC[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000583022838 652471733 /nfs/dbraw/zinc/47/17/33/652471733.db2.gz FZGWRJHFHNQDFG-MRXNPFEDSA-N 1 1 382.302 2.321 20 0 GEADMO C[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@H]1CCSC1 ZINC000755798126 652476896 /nfs/dbraw/zinc/47/68/96/652476896.db2.gz QIGFGYLYRKZTNG-LBPRGKRZSA-N 1 1 398.282 2.139 20 0 GEADMO C[N@@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@H]1CCSC1 ZINC000755798126 652476899 /nfs/dbraw/zinc/47/68/99/652476899.db2.gz QIGFGYLYRKZTNG-LBPRGKRZSA-N 1 1 398.282 2.139 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCO[C@@]4(CCSC4)C3)CC2)cs1 ZINC000583443041 652485404 /nfs/dbraw/zinc/48/54/04/652485404.db2.gz VQFNBGSJKOLHFQ-SFHVURJKSA-N 1 1 381.567 2.398 20 0 GEADMO C[C@@H](NC(=O)c1cccc(I)c1O)C1=CC[N@H+](C)CC1 ZINC000756182143 652491922 /nfs/dbraw/zinc/49/19/22/652491922.db2.gz CWXGZNWEMADZDP-SNVBAGLBSA-N 1 1 386.233 2.377 20 0 GEADMO C[C@@H](NC(=O)c1cccc(I)c1O)C1=CC[N@@H+](C)CC1 ZINC000756182143 652491925 /nfs/dbraw/zinc/49/19/25/652491925.db2.gz CWXGZNWEMADZDP-SNVBAGLBSA-N 1 1 386.233 2.377 20 0 GEADMO C[C@H](NC(=O)c1cccc(I)c1O)C1=CC[N@H+](C)CC1 ZINC000756182137 652491947 /nfs/dbraw/zinc/49/19/47/652491947.db2.gz CWXGZNWEMADZDP-JTQLQIEISA-N 1 1 386.233 2.377 20 0 GEADMO C[C@H](NC(=O)c1cccc(I)c1O)C1=CC[N@@H+](C)CC1 ZINC000756182137 652491949 /nfs/dbraw/zinc/49/19/49/652491949.db2.gz CWXGZNWEMADZDP-JTQLQIEISA-N 1 1 386.233 2.377 20 0 GEADMO CN1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1=O ZINC000583701083 652494782 /nfs/dbraw/zinc/49/47/82/652494782.db2.gz CCHVKBPRXXAYFR-NSHDSACASA-N 1 1 375.803 2.433 20 0 GEADMO CN1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1=O ZINC000583701083 652494787 /nfs/dbraw/zinc/49/47/87/652494787.db2.gz CCHVKBPRXXAYFR-NSHDSACASA-N 1 1 375.803 2.433 20 0 GEADMO [NH3+]CC(F)(F)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000583700617 652494888 /nfs/dbraw/zinc/49/48/88/652494888.db2.gz PFVZLHCGQNUTQP-UHFFFAOYSA-N 1 1 382.274 2.139 20 0 GEADMO O=C(CCN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1Br ZINC000663390173 652496518 /nfs/dbraw/zinc/49/65/18/652496518.db2.gz DOPRTMSSEPCCPK-AWEZNQCLSA-N 1 1 382.302 2.184 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663403446 652496972 /nfs/dbraw/zinc/49/69/72/652496972.db2.gz LLRYFENLGKRIFJ-AWEZNQCLSA-N 1 1 376.284 2.048 20 0 GEADMO O[C@H](C[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1)CC1(O)CCOCC1 ZINC000630050745 652501909 /nfs/dbraw/zinc/50/19/09/652501909.db2.gz NMKCVEVXFYGCKS-HNNXBMFYSA-N 1 1 389.323 2.408 20 0 GEADMO COc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Br)cn1 ZINC000663573228 652504277 /nfs/dbraw/zinc/50/42/77/652504277.db2.gz CRYMEALTVKHRRR-AWEZNQCLSA-N 1 1 383.334 2.459 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663575409 652504752 /nfs/dbraw/zinc/50/47/52/652504752.db2.gz MAFAACXSVSOMIC-OAHLLOKOSA-N 1 1 393.333 2.098 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584005535 652505929 /nfs/dbraw/zinc/50/59/29/652505929.db2.gz XBKVQDBBOJPGDX-UWVGGRQHSA-N 1 1 395.294 2.358 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000584005534 652505983 /nfs/dbraw/zinc/50/59/83/652505983.db2.gz XBKVQDBBOJPGDX-NXEZZACHSA-N 1 1 395.294 2.358 20 0 GEADMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2nc(C3CC3)ncc2Br)C1 ZINC000663724700 652510441 /nfs/dbraw/zinc/51/04/41/652510441.db2.gz IFUOPBWGPHBDQF-VIFPVBQESA-N 1 1 396.318 2.206 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc2ccc(Br)cn21 ZINC000663852244 652513321 /nfs/dbraw/zinc/51/33/21/652513321.db2.gz QXSUDTMJSCNQCH-GFCCVEGCSA-N 1 1 380.290 2.181 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[NH+]1CC(C)C1 ZINC000584241499 652513688 /nfs/dbraw/zinc/51/36/88/652513688.db2.gz MUKVTYRXTIAEDR-IUODEOHRSA-N 1 1 380.286 2.011 20 0 GEADMO CCN(C(=O)NCC(=O)Nc1cc(Br)ccc1C)[C@H]1CC[N@@H+](C)C1 ZINC000663885091 652515013 /nfs/dbraw/zinc/51/50/13/652515013.db2.gz BFJGDDIXQSCNIM-AWEZNQCLSA-N 1 1 397.317 2.432 20 0 GEADMO O[C@H](CNC(=S)NCCC[NH+]1CCOCC1)c1cc2ccccc2s1 ZINC000757539479 652517895 /nfs/dbraw/zinc/51/78/95/652517895.db2.gz DKOGRZOYVZYKFQ-OAHLLOKOSA-N 1 1 379.551 2.121 20 0 GEADMO C[C@@H]1C[NH+](C[C@H](O)CN[C@@H](CO)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000584385979 652519320 /nfs/dbraw/zinc/51/93/20/652519320.db2.gz ZVHISPCJAKWPQU-JXFSHQFZSA-N 1 1 377.312 2.087 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000631060914 652519419 /nfs/dbraw/zinc/51/94/19/652519419.db2.gz AHNADLHJZWMYPM-LLVKDONJSA-N 1 1 381.420 2.376 20 0 GEADMO COCCc1ncc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000631061733 652519557 /nfs/dbraw/zinc/51/95/57/652519557.db2.gz FTZBANLCESLGLY-CYBMUJFWSA-N 1 1 383.539 2.433 20 0 GEADMO COc1cc(Cl)c(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC ZINC000631098655 652520015 /nfs/dbraw/zinc/52/00/15/652520015.db2.gz RCSINKTWFDMDSQ-UHFFFAOYSA-N 1 1 390.914 2.487 20 0 GEADMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(I)cn1 ZINC000584513528 652523627 /nfs/dbraw/zinc/52/36/27/652523627.db2.gz ISMYTMNMNMTBIF-UHFFFAOYSA-N 1 1 382.205 2.149 20 0 GEADMO O=C(OCC[NH+]1CCSCC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000757945749 652526445 /nfs/dbraw/zinc/52/64/45/652526445.db2.gz QPIHUYOQIACDQM-HNNXBMFYSA-N 1 1 382.913 2.281 20 0 GEADMO Cn1cc(-c2ccc(=O)n(Cc3cn4cc(Br)ccc4[nH+]3)n2)cn1 ZINC000584712710 652526592 /nfs/dbraw/zinc/52/65/92/652526592.db2.gz ZZDNPWWPOXRHEN-UHFFFAOYSA-N 1 1 385.225 2.102 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)[C@@H](C)C1 ZINC000584781849 652529007 /nfs/dbraw/zinc/52/90/07/652529007.db2.gz QHDBWHWFQPCBOU-DCGLDWPTSA-N 1 1 381.314 2.392 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)[C@@H](C)C1 ZINC000584781849 652529012 /nfs/dbraw/zinc/52/90/12/652529012.db2.gz QHDBWHWFQPCBOU-DCGLDWPTSA-N 1 1 381.314 2.392 20 0 GEADMO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000631646484 652529488 /nfs/dbraw/zinc/52/94/88/652529488.db2.gz MRPBJOHLVIRFKX-CYBMUJFWSA-N 1 1 376.404 2.020 20 0 GEADMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584803284 652530013 /nfs/dbraw/zinc/53/00/13/652530013.db2.gz DGIXBJVTMZOWNY-SLEUVZQESA-N 1 1 376.266 2.421 20 0 GEADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc(Br)cnn2)C1 ZINC000664626514 652533419 /nfs/dbraw/zinc/53/34/19/652533419.db2.gz GTKMDDHJQPICJG-INIZCTEOSA-N 1 1 376.302 2.467 20 0 GEADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc(Br)cnn2)C1 ZINC000664626514 652533421 /nfs/dbraw/zinc/53/34/21/652533421.db2.gz GTKMDDHJQPICJG-INIZCTEOSA-N 1 1 376.302 2.467 20 0 GEADMO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2cc(Br)cnn2)C1 ZINC000664626514 652533424 /nfs/dbraw/zinc/53/34/24/652533424.db2.gz GTKMDDHJQPICJG-INIZCTEOSA-N 1 1 376.302 2.467 20 0 GEADMO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2cc(Br)cnn2)C1 ZINC000664626514 652533427 /nfs/dbraw/zinc/53/34/27/652533427.db2.gz GTKMDDHJQPICJG-INIZCTEOSA-N 1 1 376.302 2.467 20 0 GEADMO CC[C@H](NC(C)=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000631821894 652536779 /nfs/dbraw/zinc/53/67/79/652536779.db2.gz MJGICKSJOMJRII-KRWDZBQOSA-N 1 1 396.329 2.444 20 0 GEADMO O=C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765450 652537135 /nfs/dbraw/zinc/53/71/35/652537135.db2.gz GRSRUXNIPOPDGM-LSDHHAIUSA-N 1 1 399.276 2.446 20 0 GEADMO O=C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765449 652537160 /nfs/dbraw/zinc/53/71/60/652537160.db2.gz GRSRUXNIPOPDGM-HUUCEWRRSA-N 1 1 399.276 2.446 20 0 GEADMO COCC(=O)NC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000585765941 652537225 /nfs/dbraw/zinc/53/72/25/652537225.db2.gz IRJHIESDGCEULZ-UHFFFAOYSA-N 1 1 388.249 2.018 20 0 GEADMO O=C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000585765448 652537251 /nfs/dbraw/zinc/53/72/51/652537251.db2.gz GRSRUXNIPOPDGM-GJZGRUSLSA-N 1 1 399.276 2.446 20 0 GEADMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631902315 652539559 /nfs/dbraw/zinc/53/95/59/652539559.db2.gz HOTFOUOWAADNLQ-QMMMGPOBSA-N 1 1 376.301 2.041 20 0 GEADMO O=C(NCc1ccsc1Br)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664836693 652540384 /nfs/dbraw/zinc/54/03/84/652540384.db2.gz CTMVNICVDVUFDS-CYBMUJFWSA-N 1 1 388.331 2.251 20 0 GEADMO O=c1[nH]cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000631941397 652542736 /nfs/dbraw/zinc/54/27/36/652542736.db2.gz WJPCCERUHXHAHF-GOOCMWNKSA-N 1 1 379.507 2.323 20 0 GEADMO C[N@H+](Cc1nc(-c2cnn3cc(Br)cnc23)no1)[C@H]1CCSC1 ZINC000664956441 652543865 /nfs/dbraw/zinc/54/38/65/652543865.db2.gz PVZSFXWUGMPKSU-JTQLQIEISA-N 1 1 395.286 2.479 20 0 GEADMO C[N@@H+](Cc1nc(-c2cnn3cc(Br)cnc23)no1)[C@H]1CCSC1 ZINC000664956441 652543869 /nfs/dbraw/zinc/54/38/69/652543869.db2.gz PVZSFXWUGMPKSU-JTQLQIEISA-N 1 1 395.286 2.479 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000631977301 652543880 /nfs/dbraw/zinc/54/38/80/652543880.db2.gz OITAUTCGLRUOCW-XHSDSOJGSA-N 1 1 382.517 2.478 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)NCCSCc2ccnc(Cl)c2)n1C ZINC000758574626 652547304 /nfs/dbraw/zinc/54/73/04/652547304.db2.gz WJQOURXBQQHVFG-UHFFFAOYSA-N 1 1 382.921 2.267 20 0 GEADMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236615 652549421 /nfs/dbraw/zinc/54/94/21/652549421.db2.gz QTVKBJBZEAGQRS-SUMWQHHRSA-N 1 1 391.313 2.122 20 0 GEADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632085389 652550164 /nfs/dbraw/zinc/55/01/64/652550164.db2.gz NSYHRZNTKJGIDP-GRYCIOLGSA-N 1 1 382.452 2.084 20 0 GEADMO COCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000588311054 652551794 /nfs/dbraw/zinc/55/17/94/652551794.db2.gz IIXLFSRDNKKFEI-CVEARBPZSA-N 1 1 382.302 2.279 20 0 GEADMO CCC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)S(N)(=O)=O ZINC000665386369 652551885 /nfs/dbraw/zinc/55/18/85/652551885.db2.gz VNRCKLUGAZMHQR-JKSUJKDBSA-N 1 1 387.933 2.050 20 0 GEADMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632121654 652551950 /nfs/dbraw/zinc/55/19/50/652551950.db2.gz AHDRDSIGRACVKT-PWSUYJOCSA-N 1 1 394.360 2.152 20 0 GEADMO CC(F)(F)CCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000632276237 652554653 /nfs/dbraw/zinc/55/46/53/652554653.db2.gz BOYBKTFIJNOPDX-MRXNPFEDSA-N 1 1 376.469 2.242 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000632310380 652556294 /nfs/dbraw/zinc/55/62/94/652556294.db2.gz SXUORFBETCPKNQ-LBPRGKRZSA-N 1 1 393.278 2.035 20 0 GEADMO CCC(=O)N[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665675802 652557374 /nfs/dbraw/zinc/55/73/74/652557374.db2.gz YFXSLCQGXKRUEE-ZDUSSCGKSA-N 1 1 396.329 2.444 20 0 GEADMO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC000666275413 652570506 /nfs/dbraw/zinc/57/05/06/652570506.db2.gz SFUIILVEVPGJFE-HIFRSBDPSA-N 1 1 377.384 2.307 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000666274398 652570513 /nfs/dbraw/zinc/57/05/13/652570513.db2.gz SYDNUAUKLWZQBG-UHFFFAOYSA-N 1 1 382.302 2.006 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000590046518 652573443 /nfs/dbraw/zinc/57/34/43/652573443.db2.gz GIBQBAWUUWQLKV-LZDDTZTRSA-N 1 1 399.354 2.499 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000666639389 652582238 /nfs/dbraw/zinc/58/22/38/652582238.db2.gz BWCKQYVGLYODKB-JTQLQIEISA-N 1 1 376.320 2.027 20 0 GEADMO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000633069955 652584660 /nfs/dbraw/zinc/58/46/60/652584660.db2.gz SKBXAHAELJCKNX-DODZYUBVSA-N 1 1 393.325 2.394 20 0 GEADMO O=C(c1oc2ccccc2c1Br)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000633070208 652584742 /nfs/dbraw/zinc/58/47/42/652584742.db2.gz VQPAPCREQSNUSI-NEPJUHHUSA-N 1 1 379.254 2.476 20 0 GEADMO Cn1cc(Br)c(=O)c(NC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000666697913 652584814 /nfs/dbraw/zinc/58/48/14/652584814.db2.gz ULFYJGTWKBDGEX-UHFFFAOYSA-N 1 1 380.246 2.002 20 0 GEADMO Cc1nc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000666722827 652585715 /nfs/dbraw/zinc/58/57/15/652585715.db2.gz OPLKFQYGQIMUNS-ZDUSSCGKSA-N 1 1 383.290 2.215 20 0 GEADMO C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000633129460 652587142 /nfs/dbraw/zinc/58/71/42/652587142.db2.gz MPJAJLHQVMSMSO-XHDPSFHLSA-N 1 1 388.281 2.449 20 0 GEADMO C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000633129460 652587145 /nfs/dbraw/zinc/58/71/45/652587145.db2.gz MPJAJLHQVMSMSO-XHDPSFHLSA-N 1 1 388.281 2.449 20 0 GEADMO C[C@@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000633128975 652587179 /nfs/dbraw/zinc/58/71/79/652587179.db2.gz IEDZQTOCKZLJNA-QMTHXVAHSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000633128975 652587181 /nfs/dbraw/zinc/58/71/81/652587181.db2.gz IEDZQTOCKZLJNA-QMTHXVAHSA-N 1 1 377.819 2.460 20 0 GEADMO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000667131352 652592983 /nfs/dbraw/zinc/59/29/83/652592983.db2.gz XSUHHMAFZOMOMH-NVXWUHKLSA-N 1 1 396.329 2.231 20 0 GEADMO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000667131352 652592985 /nfs/dbraw/zinc/59/29/85/652592985.db2.gz XSUHHMAFZOMOMH-NVXWUHKLSA-N 1 1 396.329 2.231 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000633428158 652596507 /nfs/dbraw/zinc/59/65/07/652596507.db2.gz KYKZFLLWZQZIQP-DOMZBBRYSA-N 1 1 396.333 2.341 20 0 GEADMO O=C(NCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592545618 652599119 /nfs/dbraw/zinc/59/91/19/652599119.db2.gz FIGZFBRQVDOLRB-INIZCTEOSA-N 1 1 382.302 2.455 20 0 GEADMO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633579008 652602517 /nfs/dbraw/zinc/60/25/17/652602517.db2.gz WAFIUVPDEZVMHH-RYRKJORJSA-N 1 1 379.298 2.004 20 0 GEADMO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000633579008 652602519 /nfs/dbraw/zinc/60/25/19/652602519.db2.gz WAFIUVPDEZVMHH-RYRKJORJSA-N 1 1 379.298 2.004 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667682247 652617034 /nfs/dbraw/zinc/61/70/34/652617034.db2.gz FDKDWPKMZWNRJF-LLVKDONJSA-N 1 1 380.905 2.226 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)ccc1Br ZINC000760599181 652617446 /nfs/dbraw/zinc/61/74/46/652617446.db2.gz RIDRYUUENPJAAH-UHFFFAOYSA-N 1 1 387.299 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C[NH2+][C@H](C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000877296685 653475715 /nfs/dbraw/zinc/47/57/15/653475715.db2.gz IQBDEMRBTWTTEV-HFAKWTLXSA-N 1 1 391.320 2.147 20 0 GEADMO CC1([C@@H]2CCC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)OCCO1 ZINC000877315797 653476224 /nfs/dbraw/zinc/47/62/24/653476224.db2.gz BDMLGKOYYDYSBT-CYBMUJFWSA-N 1 1 381.274 2.467 20 0 GEADMO O=Cc1cc(Br)cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000859912421 653611864 /nfs/dbraw/zinc/61/18/64/653611864.db2.gz PNTNLXZGNSUUDT-CYBMUJFWSA-N 1 1 381.270 2.056 20 0 GEADMO Cc1c[nH+]cn1CC(=O)O[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000859948268 653612964 /nfs/dbraw/zinc/61/29/64/653612964.db2.gz YNZFTWMBVXEBFA-AWEZNQCLSA-N 1 1 378.226 2.303 20 0 GEADMO NS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000877610230 653614023 /nfs/dbraw/zinc/61/40/23/653614023.db2.gz ICULYMRKRROYDE-GOSISDBHSA-N 1 1 380.897 2.471 20 0 GEADMO NS(=O)(=O)c1cccc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000877610230 653614026 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NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1Br ZINC000877741743 653618277 /nfs/dbraw/zinc/61/82/77/653618277.db2.gz ZLLKXEWDFCILEM-RYUDHWBXSA-N 1 1 391.356 2.281 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1Br ZINC000877741743 653618280 /nfs/dbraw/zinc/61/82/80/653618280.db2.gz ZLLKXEWDFCILEM-RYUDHWBXSA-N 1 1 391.356 2.281 20 0 GEADMO CC(C)N1CC[NH+](CCCOC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000838303044 653618502 /nfs/dbraw/zinc/61/85/02/653618502.db2.gz GSLVHQDXDCZGPR-UHFFFAOYSA-N 1 1 399.333 2.165 20 0 GEADMO O=C(NCCc1cccc(Br)c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000838303997 653618683 /nfs/dbraw/zinc/61/86/83/653618683.db2.gz YRUMTMOGQDVMDA-HZPDHXFCSA-N 1 1 382.302 2.154 20 0 GEADMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000877800246 653621424 /nfs/dbraw/zinc/62/14/24/653621424.db2.gz VQONOCNWYSABPU-UKPHBRMFSA-N 1 1 396.329 2.476 20 0 GEADMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000877800246 653621428 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CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000869776559 654122611 /nfs/dbraw/zinc/12/26/11/654122611.db2.gz NCWWHBCSKPIQDQ-HOCLYGCPSA-N 1 1 381.314 2.440 20 0 GEADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2cccc(F)c2Br)C1 ZINC000869778150 654122688 /nfs/dbraw/zinc/12/26/88/654122688.db2.gz YRKAERLABLQQJT-ZDUSSCGKSA-N 1 1 387.293 2.482 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869780760 654123271 /nfs/dbraw/zinc/12/32/71/654123271.db2.gz RHRXYVMANSWFLW-JSGCOSHPSA-N 1 1 385.302 2.178 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000889157789 654126817 /nfs/dbraw/zinc/12/68/17/654126817.db2.gz GJZSOLXSXMNHCV-XFBWCDHKSA-N 1 1 395.297 2.329 20 0 GEADMO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000889193716 654128308 /nfs/dbraw/zinc/12/83/08/654128308.db2.gz URXLXAFRXPLSGA-RKDXNWHRSA-N 1 1 381.786 2.077 20 0 GEADMO C[C@@H](NC(=O)C(F)(F)c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000830628927 654130427 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20 0 GEADMO O=S(=O)(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1occc1Br ZINC000917784372 654134490 /nfs/dbraw/zinc/13/44/90/654134490.db2.gz MCZMHRZJOLUEHF-LBPRGKRZSA-N 1 1 377.304 2.442 20 0 GEADMO CCOC(=O)N1CCN(C(=O)C[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000917841486 654135495 /nfs/dbraw/zinc/13/54/95/654135495.db2.gz RWLVALXCQVMYQG-UHFFFAOYSA-N 1 1 398.301 2.182 20 0 GEADMO CCOC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000917841486 654135496 /nfs/dbraw/zinc/13/54/96/654135496.db2.gz RWLVALXCQVMYQG-UHFFFAOYSA-N 1 1 398.301 2.182 20 0 GEADMO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)cnc1Br ZINC000870087911 654143841 /nfs/dbraw/zinc/14/38/41/654143841.db2.gz NJPYCRPVHPYMFJ-AWEZNQCLSA-N 1 1 392.253 2.345 20 0 GEADMO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c1Br ZINC000870088988 654143909 /nfs/dbraw/zinc/14/39/09/654143909.db2.gz OUENOUFRJNFFFW-ZDUSSCGKSA-N 1 1 379.258 2.227 20 0 GEADMO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870088398 654144017 /nfs/dbraw/zinc/14/40/17/654144017.db2.gz UTDFKPPVJMISMT-CYBMUJFWSA-N 1 1 378.226 2.042 20 0 GEADMO COc1ccc([C@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CC[NH2+]2)cc1 ZINC000870140762 654146384 /nfs/dbraw/zinc/14/63/84/654146384.db2.gz LODRWOFGRPQTPZ-OAHLLOKOSA-N 1 1 392.253 2.345 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3ccc(I)cc3)CC2)CC[N@@H+]1C ZINC000800502385 654147730 /nfs/dbraw/zinc/14/77/30/654147730.db2.gz BCEJLJPCYNTVOC-LBPRGKRZSA-N 1 1 384.261 2.485 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3ccc(I)cc3)CC2)CC[N@H+]1C ZINC000800502385 654147731 /nfs/dbraw/zinc/14/77/31/654147731.db2.gz BCEJLJPCYNTVOC-LBPRGKRZSA-N 1 1 384.261 2.485 20 0 GEADMO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918350880 654149178 /nfs/dbraw/zinc/14/91/78/654149178.db2.gz FSUUGNDSWIVUEZ-CALCHBBNSA-N 1 1 386.901 2.089 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918368443 654149804 /nfs/dbraw/zinc/14/98/04/654149804.db2.gz JQDFNNCOHVXPAL-CALCHBBNSA-N 1 1 386.901 2.089 20 0 GEADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(O)(c3cccc(Br)c3)C1)CC2 ZINC000870231930 654152190 /nfs/dbraw/zinc/15/21/90/654152190.db2.gz BWGMUVHLHVBBLP-ZDUSSCGKSA-N 1 1 390.281 2.246 20 0 GEADMO COc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cnc1Br ZINC000800649337 654154520 /nfs/dbraw/zinc/15/45/20/654154520.db2.gz DBBXYHKKKNIGQM-ZDUSSCGKSA-N 1 1 398.301 2.037 20 0 GEADMO O=C(Nc1nc2cc(F)c(Br)cc2[nH]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000889645928 654154719 /nfs/dbraw/zinc/15/47/19/654154719.db2.gz AUBDGPIUCJXWJS-SECBINFHSA-N 1 1 383.221 2.124 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000918582451 654154844 /nfs/dbraw/zinc/15/48/44/654154844.db2.gz SPASOJNRTIXKOR-KGLIPLIRSA-N 1 1 376.400 2.337 20 0 GEADMO O=C(c1cc(F)cc(Br)c1F)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889740025 654165151 /nfs/dbraw/zinc/16/51/51/654165151.db2.gz ROEGJEXIJVXMQI-ZIAGYGMSSA-N 1 1 389.240 2.399 20 0 GEADMO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889740108 654165572 /nfs/dbraw/zinc/16/55/72/654165572.db2.gz TZOAZVMJEUIRKJ-NWDGAFQWSA-N 1 1 377.432 2.309 20 0 GEADMO O=C(c1ccc(Br)c(F)c1F)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889742721 654165728 /nfs/dbraw/zinc/16/57/28/654165728.db2.gz BCGMTPGSMBWUJY-CHWSQXEVSA-N 1 1 389.240 2.399 20 0 GEADMO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745311 654166228 /nfs/dbraw/zinc/16/62/28/654166228.db2.gz STJBOGLANYMIGC-OLZOCXBDSA-N 1 1 375.416 2.365 20 0 GEADMO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745313 654166316 /nfs/dbraw/zinc/16/63/16/654166316.db2.gz STJBOGLANYMIGC-STQMWFEESA-N 1 1 375.416 2.365 20 0 GEADMO Nc1c(Cl)c(F)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1Cl ZINC000889750841 654167049 /nfs/dbraw/zinc/16/70/49/654167049.db2.gz QLXPDXDLEAFPDT-RYUDHWBXSA-N 1 1 376.259 2.386 20 0 GEADMO CS[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@@H]1[NH+](C)C ZINC000800925461 654167844 /nfs/dbraw/zinc/16/78/44/654167844.db2.gz BERSQUMGPPVHCR-DZGCQCFKSA-N 1 1 388.942 2.135 20 0 GEADMO Cc1c(Br)cccc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757692 654169029 /nfs/dbraw/zinc/16/90/29/654169029.db2.gz UVGDMWLAWVEPGP-DLBZAZTESA-N 1 1 381.314 2.358 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761566 654169368 /nfs/dbraw/zinc/16/93/68/654169368.db2.gz LPZCKVTYFPDDHM-SJORKVTESA-N 1 1 381.314 2.358 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761564 654169506 /nfs/dbraw/zinc/16/95/06/654169506.db2.gz LPZCKVTYFPDDHM-IAGOWNOFSA-N 1 1 381.314 2.358 20 0 GEADMO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889763399 654169916 /nfs/dbraw/zinc/16/99/16/654169916.db2.gz RYSQYOZEXLNKSJ-ULQDDVLXSA-N 1 1 387.307 2.475 20 0 GEADMO O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC1(Br)CC1 ZINC000902338376 654175105 /nfs/dbraw/zinc/17/51/05/654175105.db2.gz QIBYGKFETJXFEF-QGZVFWFLSA-N 1 1 378.270 2.110 20 0 GEADMO C[C@@H](C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000889812222 654175403 /nfs/dbraw/zinc/17/54/03/654175403.db2.gz SSVHOIWOAGCYLW-MIJXAVMKSA-N 1 1 395.301 2.085 20 0 GEADMO CC(C)(C)NS(=O)(=O)CCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902362574 654175662 /nfs/dbraw/zinc/17/56/62/654175662.db2.gz VMDGQODOQUBPMT-INIZCTEOSA-N 1 1 377.501 2.442 20 0 GEADMO CC1(C)C[NH2+]CC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000902384530 654176098 /nfs/dbraw/zinc/17/60/98/654176098.db2.gz MAFWKLZDNBKWAB-CYBMUJFWSA-N 1 1 377.913 2.125 20 0 GEADMO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000851781642 654177366 /nfs/dbraw/zinc/17/73/66/654177366.db2.gz CEEFKZJXWXOJJI-OAHLLOKOSA-N 1 1 379.415 2.106 20 0 GEADMO CCOP(=O)(OCC)[C@@H](O)C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000851781642 654177371 /nfs/dbraw/zinc/17/73/71/654177371.db2.gz CEEFKZJXWXOJJI-OAHLLOKOSA-N 1 1 379.415 2.106 20 0 GEADMO COC(=O)CC[N@@H+](Cc1cc(Br)cnc1OC)C1CCOCC1 ZINC000851792361 654178147 /nfs/dbraw/zinc/17/81/47/654178147.db2.gz KXTIWGKZWARGJK-UHFFFAOYSA-N 1 1 387.274 2.397 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](CCn2cnc(Br)n2)C1)CC(F)(F)F ZINC000851797631 654178926 /nfs/dbraw/zinc/17/89/26/654178926.db2.gz SQLWMPUGPLTFIB-LLVKDONJSA-N 1 1 384.244 2.247 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000801141059 654179341 /nfs/dbraw/zinc/17/93/41/654179341.db2.gz IIQJJGPDTARNEF-YRGRVCCFSA-N 1 1 399.333 2.205 20 0 GEADMO Cn1cc(Br)cc1C[N@H+](C)CCn1cnc(Br)n1 ZINC000851809037 654180162 /nfs/dbraw/zinc/18/01/62/654180162.db2.gz QZKZUXSWQQCQQS-UHFFFAOYSA-N 1 1 377.084 2.274 20 0 GEADMO Cn1cc(Br)cc1C[N@@H+](C)CCn1cnc(Br)n1 ZINC000851809037 654180166 /nfs/dbraw/zinc/18/01/66/654180166.db2.gz QZKZUXSWQQCQQS-UHFFFAOYSA-N 1 1 377.084 2.274 20 0 GEADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)n1 ZINC000851825840 654184360 /nfs/dbraw/zinc/18/43/60/654184360.db2.gz SUBMNQOAHNGOOD-CYBMUJFWSA-N 1 1 393.289 2.095 20 0 GEADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCn3cnc(Br)n3)C2)n1 ZINC000851825840 654184364 /nfs/dbraw/zinc/18/43/64/654184364.db2.gz 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C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1nn(C)cc1I ZINC000870783942 654196161 /nfs/dbraw/zinc/19/61/61/654196161.db2.gz BJCXSWYICNDMFB-QWRGUYRKSA-N 1 1 391.253 2.444 20 0 GEADMO C[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc21)[C@H]1C[N@H+](C)CCN1C ZINC000919998674 654198540 /nfs/dbraw/zinc/19/85/40/654198540.db2.gz BAYROEVKFJERHX-BXUZGUMPSA-N 1 1 387.958 2.467 20 0 GEADMO C[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc21)[C@H]1C[N@@H+](C)CCN1C ZINC000919998674 654198546 /nfs/dbraw/zinc/19/85/46/654198546.db2.gz BAYROEVKFJERHX-BXUZGUMPSA-N 1 1 387.958 2.467 20 0 GEADMO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000920021831 654199424 /nfs/dbraw/zinc/19/94/24/654199424.db2.gz RZSFPZMSQNKILY-YGRLFVJLSA-N 1 1 399.866 2.271 20 0 GEADMO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920021831 654199437 /nfs/dbraw/zinc/19/94/37/654199437.db2.gz RZSFPZMSQNKILY-YGRLFVJLSA-N 1 1 399.866 2.271 20 0 GEADMO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C 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20 0 GEADMO O=C1CCC2=C(CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)N1 ZINC000852297813 654230721 /nfs/dbraw/zinc/23/07/21/654230721.db2.gz NSHPBSKHGSQPKP-AWEZNQCLSA-N 1 1 399.260 2.198 20 0 GEADMO O=C(NCCn1cc(Br)cn1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852331975 654232352 /nfs/dbraw/zinc/23/23/52/654232352.db2.gz FGGLGZAFWKONFP-AWEZNQCLSA-N 1 1 384.322 2.352 20 0 GEADMO COc1cc([C@@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)ccn1 ZINC000903326537 654234157 /nfs/dbraw/zinc/23/41/57/654234157.db2.gz QZVSHIDSPWNFFA-RNCFNFMXSA-N 1 1 377.242 2.462 20 0 GEADMO O=C(NC[C@H]1CC1(Cl)Cl)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000921117568 654236747 /nfs/dbraw/zinc/23/67/47/654236747.db2.gz RXXHLCUFINGLCP-LLVKDONJSA-N 1 1 392.249 2.476 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000802738661 654238875 /nfs/dbraw/zinc/23/88/75/654238875.db2.gz OCGHQFMIEADHQL-CYBMUJFWSA-N 1 1 396.329 2.139 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000802739736 654239498 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CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000832271666 654256593 /nfs/dbraw/zinc/25/65/93/654256593.db2.gz BULXYSVURFRCQG-ZDUSSCGKSA-N 1 1 376.469 2.462 20 0 GEADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1(C)C ZINC000891009420 654257958 /nfs/dbraw/zinc/25/79/58/654257958.db2.gz PNUFMRPOGUXQBQ-UHFFFAOYSA-N 1 1 378.782 2.245 20 0 GEADMO C[N@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1(C)C ZINC000891009420 654257961 /nfs/dbraw/zinc/25/79/61/654257961.db2.gz PNUFMRPOGUXQBQ-UHFFFAOYSA-N 1 1 378.782 2.245 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000903575023 654259283 /nfs/dbraw/zinc/25/92/83/654259283.db2.gz CSCRNGDHSWHRCO-JTQLQIEISA-N 1 1 397.722 2.102 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000903576112 654259770 /nfs/dbraw/zinc/25/97/70/654259770.db2.gz HMGSSWPGPWPOCF-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000903575837 654259797 /nfs/dbraw/zinc/25/97/97/654259797.db2.gz DQLMRPWUKXTIMF-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000903576742 654259802 /nfs/dbraw/zinc/25/98/02/654259802.db2.gz WTQLMKRNUPPJRQ-LLVKDONJSA-N 1 1 386.823 2.358 20 0 GEADMO COC(=O)NC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000852771013 654259930 /nfs/dbraw/zinc/25/99/30/654259930.db2.gz IOXSWOMRJJKTLI-LBPRGKRZSA-N 1 1 398.301 2.447 20 0 GEADMO O=C(NCCc1nnc2ccccn21)c1sc2c(c1Br)C[NH2+]C2 ZINC000852774661 654260332 /nfs/dbraw/zinc/26/03/32/654260332.db2.gz CQQSQBJQDDDHSJ-UHFFFAOYSA-N 1 1 392.282 2.129 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832354150 654261269 /nfs/dbraw/zinc/26/12/69/654261269.db2.gz SMJLIRZSZGWGQJ-GFCCVEGCSA-N 1 1 384.311 2.397 20 0 GEADMO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2N1 ZINC000871805456 654261299 /nfs/dbraw/zinc/26/12/99/654261299.db2.gz UTMOYXSIAIPWTO-BETUJISGSA-N 1 1 383.901 2.130 20 0 GEADMO Cn1c(Cl)cnc1-c1csc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000852845492 654263214 /nfs/dbraw/zinc/26/32/14/654263214.db2.gz YIHPRNUTKVYEHC-MRVPVSSYSA-N 1 1 377.861 2.249 20 0 GEADMO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@H+](Cc2ccccc2)C1 ZINC000832384103 654263502 /nfs/dbraw/zinc/26/35/02/654263502.db2.gz IBBWDXMLZQFVJW-CQSZACIVSA-N 1 1 382.917 2.216 20 0 GEADMO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000832384103 654263506 /nfs/dbraw/zinc/26/35/06/654263506.db2.gz IBBWDXMLZQFVJW-CQSZACIVSA-N 1 1 382.917 2.216 20 0 GEADMO C[C@@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000871895629 654274044 /nfs/dbraw/zinc/27/40/44/654274044.db2.gz VQHOQASSOTZIMU-FZMZJTMJSA-N 1 1 376.507 2.114 20 0 GEADMO O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921553345 654279873 /nfs/dbraw/zinc/27/98/73/654279873.db2.gz BNTGLRKKYPRWSP-OAGGEKHMSA-N 1 1 385.599 2.310 20 0 GEADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@H](O)c1ccccc1Br ZINC000832680795 654287304 /nfs/dbraw/zinc/28/73/04/654287304.db2.gz WKSKLXFSKODFFD-DOMZBBRYSA-N 1 1 376.316 2.239 20 0 GEADMO CCn1c(Br)c(Br)nc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000921612535 654292911 /nfs/dbraw/zinc/29/29/11/654292911.db2.gz LRWTZBBWUXRTLH-QMMMGPOBSA-N 1 1 392.099 2.198 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(F)cc1Cl ZINC000832764503 654293843 /nfs/dbraw/zinc/29/38/43/654293843.db2.gz NFEBJVUAEJXKCS-NSHDSACASA-N 1 1 392.880 2.369 20 0 GEADMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Br)c(OC)s1)C2 ZINC000903978699 654294076 /nfs/dbraw/zinc/29/40/76/654294076.db2.gz LBIVWBVQMYPEPJ-WMFXKJRFSA-N 1 1 389.315 2.232 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127821 654301343 /nfs/dbraw/zinc/30/13/43/654301343.db2.gz BAZBPHBTUBLTGU-KBPBESRZSA-N 1 1 382.917 2.396 20 0 GEADMO Brc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nn1 ZINC000891595965 654302416 /nfs/dbraw/zinc/30/24/16/654302416.db2.gz HHFMDJXULXFABV-UHFFFAOYSA-N 1 1 391.269 2.333 20 0 GEADMO C[C@@]12COC[C@]1(C)C[N@H+](Cn1nc(Br)c(=O)c3ccccc31)C2 ZINC000853543391 654302692 /nfs/dbraw/zinc/30/26/92/654302692.db2.gz XEKRIQSWWCVAPH-CALCHBBNSA-N 1 1 378.270 2.475 20 0 GEADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1nc(Br)sc1C1CC1 ZINC000833559771 654307917 /nfs/dbraw/zinc/30/79/17/654307917.db2.gz XCCDDKNFEBLSRC-LLVKDONJSA-N 1 1 388.331 2.360 20 0 GEADMO C[NH+]1CCN(C(=O)CNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000804430406 654309554 /nfs/dbraw/zinc/30/95/54/654309554.db2.gz OEDCDQDEUHQQHP-UHFFFAOYSA-N 1 1 381.196 2.049 20 0 GEADMO O=C(C1SCCS1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448383 654310883 /nfs/dbraw/zinc/31/08/83/654310883.db2.gz NNMPRIFSQZYKJH-QGZVFWFLSA-N 1 1 377.579 2.211 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@@H]21 ZINC000834310237 654314233 /nfs/dbraw/zinc/31/42/33/654314233.db2.gz IRXYTDUYIWXZEN-DOMZBBRYSA-N 1 1 375.270 2.411 20 0 GEADMO C[C@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)[N@@H+](C)C1CC1 ZINC000853682591 654315162 /nfs/dbraw/zinc/31/51/62/654315162.db2.gz FUXWVRRYDBLCGK-GFCCVEGCSA-N 1 1 382.302 2.145 20 0 GEADMO CCOC(=O)c1cc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)on1 ZINC000872229390 654317907 /nfs/dbraw/zinc/31/79/07/654317907.db2.gz QFYZXPONUKFJJY-LBPRGKRZSA-N 1 1 399.241 2.143 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCSCC(F)(F)F)C2 ZINC000921750039 654317980 /nfs/dbraw/zinc/31/79/80/654317980.db2.gz KHLWXBQWKRHQBI-CXTNEJHOSA-N 1 1 383.480 2.061 20 0 GEADMO O=S(=O)(CC[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000872229456 654318111 /nfs/dbraw/zinc/31/81/11/654318111.db2.gz RGSXYPGOJOXARN-RZDIXWSQSA-N 1 1 379.503 2.055 20 0 GEADMO Cn1ncc(I)c1C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000872241541 654319107 /nfs/dbraw/zinc/31/91/07/654319107.db2.gz FJPDEZYJPLVKJR-ZDUSSCGKSA-N 1 1 393.175 2.126 20 0 GEADMO OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921767443 654319827 /nfs/dbraw/zinc/31/98/27/654319827.db2.gz RLYKOAYLKQZHJY-CABCVRRESA-N 1 1 379.302 2.145 20 0 GEADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nc(Br)cs1 ZINC000853824611 654323837 /nfs/dbraw/zinc/32/38/37/654323837.db2.gz LDKMVRIIEYRUPW-ZDUSSCGKSA-N 1 1 396.310 2.402 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000853838105 654324565 /nfs/dbraw/zinc/32/45/65/654324565.db2.gz DZDSABJKTFFRHM-WFASDCNBSA-N 1 1 394.313 2.287 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000892075241 654327008 /nfs/dbraw/zinc/32/70/08/654327008.db2.gz INWVDSRWRRLGBT-OAHLLOKOSA-N 1 1 397.361 2.269 20 0 GEADMO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872432360 654333488 /nfs/dbraw/zinc/33/34/88/654333488.db2.gz PVXLNSLPMONEMH-QHCPKHFHSA-N 1 1 375.560 2.191 20 0 GEADMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]3C[C@@]3(C)Br)CC2)n1 ZINC000892212427 654334259 /nfs/dbraw/zinc/33/42/59/654334259.db2.gz PQXXPCNOORRHBO-DVOMOZLQSA-N 1 1 387.322 2.458 20 0 GEADMO C[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555459 654334292 /nfs/dbraw/zinc/33/42/92/654334292.db2.gz WNNBKDKROSBCPZ-NWDGAFQWSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555459 654334295 /nfs/dbraw/zinc/33/42/95/654334295.db2.gz WNNBKDKROSBCPZ-NWDGAFQWSA-N 1 1 389.363 2.499 20 0 GEADMO O[C@@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173957 654335821 /nfs/dbraw/zinc/33/58/21/654335821.db2.gz IOWXNIBPJNWJKC-KSZLIROESA-N 1 1 383.330 2.450 20 0 GEADMO O[C@@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173957 654335827 /nfs/dbraw/zinc/33/58/27/654335827.db2.gz IOWXNIBPJNWJKC-KSZLIROESA-N 1 1 383.330 2.450 20 0 GEADMO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834592602 654337237 /nfs/dbraw/zinc/33/72/37/654337237.db2.gz NFHXBDPUSNWIOB-UWVGGRQHSA-N 1 1 387.278 2.417 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3nc(Br)c[nH]3)cc2)C1 ZINC000921890818 654338502 /nfs/dbraw/zinc/33/85/02/654338502.db2.gz AITBIQNFXQTGTO-ZDUSSCGKSA-N 1 1 392.301 2.482 20 0 GEADMO Cc1nc(Cl)ccc1S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000805034609 654338800 /nfs/dbraw/zinc/33/88/00/654338800.db2.gz NSQSMRPMHNIOOJ-BETUJISGSA-N 1 1 375.922 2.211 20 0 GEADMO Cc1nc(Cl)ccc1S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000805034609 654338805 /nfs/dbraw/zinc/33/88/05/654338805.db2.gz NSQSMRPMHNIOOJ-BETUJISGSA-N 1 1 375.922 2.211 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000892365088 654343158 /nfs/dbraw/zinc/34/31/58/654343158.db2.gz NKKJLRINVRAGJG-JSGCOSHPSA-N 1 1 396.285 2.066 20 0 GEADMO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872460382 654343499 /nfs/dbraw/zinc/34/34/99/654343499.db2.gz DZDXOTUXEKUNGI-QFIPXVFZSA-N 1 1 381.589 2.253 20 0 GEADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc(C)c1Br ZINC000834710986 654344761 /nfs/dbraw/zinc/34/47/61/654344761.db2.gz HPHDAGSRXPAMOC-GFCCVEGCSA-N 1 1 379.258 2.276 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)nc12 ZINC000921959931 654347736 /nfs/dbraw/zinc/34/77/36/654347736.db2.gz KZZQDURRMQJRSO-RISCZKNCSA-N 1 1 380.290 2.297 20 0 GEADMO COc1cc(I)c(-c2nc(C3([NH3+])CC3)no2)cc1OC ZINC000905321278 654350364 /nfs/dbraw/zinc/35/03/64/654350364.db2.gz HIJHMXYEZKQXRE-UHFFFAOYSA-N 1 1 387.177 2.306 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872482243 654351969 /nfs/dbraw/zinc/35/19/69/654351969.db2.gz MKBBGGQBVQTZNE-FYSMJZIKSA-N 1 1 387.571 2.239 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872482243 654351974 /nfs/dbraw/zinc/35/19/74/654351974.db2.gz MKBBGGQBVQTZNE-FYSMJZIKSA-N 1 1 387.571 2.239 20 0 GEADMO CCn1c(C[NH2+][C@H](C)C[S@@](C)=O)nc(Br)c1Br ZINC000921990960 654352414 /nfs/dbraw/zinc/35/24/14/654352414.db2.gz SENRBXHIKATGST-IWEMQMMOSA-N 1 1 387.141 2.285 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C(F)(F)c1ccccc1Br ZINC000854352840 654354908 /nfs/dbraw/zinc/35/49/08/654354908.db2.gz LKTLONRUXUTRDF-LBPRGKRZSA-N 1 1 388.256 2.047 20 0 GEADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000905408603 654355985 /nfs/dbraw/zinc/35/59/85/654355985.db2.gz QMGVGROETJRHNS-BWBHSNQOSA-N 1 1 376.906 2.122 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000835044866 654359706 /nfs/dbraw/zinc/35/97/06/654359706.db2.gz AAHQDSRDBZVZEY-CHWSQXEVSA-N 1 1 397.317 2.470 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1O)Cc1ccccc1 ZINC000892731230 654361675 /nfs/dbraw/zinc/36/16/75/654361675.db2.gz NRKNNEWYSMMAAY-UHFFFAOYSA-N 1 1 385.283 2.254 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cnc(CC(F)(F)F)s1 ZINC000892794418 654364439 /nfs/dbraw/zinc/36/44/39/654364439.db2.gz UGDZYYFKUBGNQS-ZDUSSCGKSA-N 1 1 378.464 2.280 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1cnc(CC(F)(F)F)s1 ZINC000892794418 654364443 /nfs/dbraw/zinc/36/44/43/654364443.db2.gz UGDZYYFKUBGNQS-ZDUSSCGKSA-N 1 1 378.464 2.280 20 0 GEADMO S=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905555444 654365807 /nfs/dbraw/zinc/36/58/07/654365807.db2.gz KDSSLXRYTMRVMV-QGZVFWFLSA-N 1 1 382.961 2.423 20 0 GEADMO Cc1nn(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC000922108775 654367875 /nfs/dbraw/zinc/36/78/75/654367875.db2.gz KNZNNFXXYWOBMW-UHFFFAOYSA-N 1 1 395.287 2.243 20 0 GEADMO C[N@@H+](CCNC(=O)c1cnc(-c2ccccc2Cl)s1)CCOCCO ZINC000922121085 654369960 /nfs/dbraw/zinc/36/99/60/654369960.db2.gz BSNBBILJAYJERO-UHFFFAOYSA-N 1 1 383.901 2.134 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(C)CC3(Br)Br)C2)C1 ZINC000854606084 654370364 /nfs/dbraw/zinc/37/03/64/654370364.db2.gz WLAJUJJSUGNSTL-RYUDHWBXSA-N 1 1 380.124 2.437 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000922162528 654372774 /nfs/dbraw/zinc/37/27/74/654372774.db2.gz OHRKTIBJLGKHOI-CVEARBPZSA-N 1 1 382.302 2.227 20 0 GEADMO CC[N@@H+](CCNC(=O)NCc1nc2c(s1)COCC2)CCC(F)(F)F ZINC000922187575 654374673 /nfs/dbraw/zinc/37/46/73/654374673.db2.gz KDAOSNRCEQKTAK-UHFFFAOYSA-N 1 1 380.436 2.289 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000835268232 654376455 /nfs/dbraw/zinc/37/64/55/654376455.db2.gz QGUFYPQHQPNBTD-OLZOCXBDSA-N 1 1 395.301 2.034 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000835305130 654378987 /nfs/dbraw/zinc/37/89/87/654378987.db2.gz XXDNZFWFIFGGTB-ZDUSSCGKSA-N 1 1 395.301 2.224 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)Br)nc1 ZINC000854743135 654380536 /nfs/dbraw/zinc/38/05/36/654380536.db2.gz JFUSXYKQSLAVMW-LBPRGKRZSA-N 1 1 392.244 2.102 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)c1Cl ZINC000872662449 654386747 /nfs/dbraw/zinc/38/67/47/654386747.db2.gz IMRJVMVVUUSYKP-GHMZBOCLSA-N 1 1 392.930 2.354 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)c1Cl ZINC000872662449 654386749 /nfs/dbraw/zinc/38/67/49/654386749.db2.gz IMRJVMVVUUSYKP-GHMZBOCLSA-N 1 1 392.930 2.354 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000872724864 654393384 /nfs/dbraw/zinc/39/33/84/654393384.db2.gz YYXDCAIZCFCQJF-ZWNOBZJWSA-N 1 1 384.249 2.480 20 0 GEADMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cnn(-c2ccccn2)c(=O)c1Br ZINC000872779681 654395399 /nfs/dbraw/zinc/39/53/99/654395399.db2.gz RIEPABHTUBMEJQ-QWHCGFSZSA-N 1 1 390.285 2.063 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cnn(-c2ccccn2)c(=O)c1Br ZINC000872779681 654395403 /nfs/dbraw/zinc/39/54/03/654395403.db2.gz RIEPABHTUBMEJQ-QWHCGFSZSA-N 1 1 390.285 2.063 20 0 GEADMO Cc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(C)c1Br ZINC000922490600 654397036 /nfs/dbraw/zinc/39/70/36/654397036.db2.gz SDJARNKFRZEXJE-UHFFFAOYSA-N 1 1 397.360 2.213 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000922492678 654397285 /nfs/dbraw/zinc/39/72/85/654397285.db2.gz BSEVOMPMQOFSRZ-UHFFFAOYSA-N 1 1 375.903 2.035 20 0 GEADMO CCCCCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922493494 654397372 /nfs/dbraw/zinc/39/73/72/654397372.db2.gz JJSIITMOBLDPBQ-UHFFFAOYSA-N 1 1 376.544 2.403 20 0 GEADMO CC(C)CCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922493448 654397381 /nfs/dbraw/zinc/39/73/81/654397381.db2.gz HVAIYXOVZYHXNM-UHFFFAOYSA-N 1 1 376.544 2.259 20 0 GEADMO COc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c(Cl)c1 ZINC000922497070 654397956 /nfs/dbraw/zinc/39/79/56/654397956.db2.gz SQHMKDINBFOIOL-UHFFFAOYSA-N 1 1 377.750 2.463 20 0 GEADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000855159367 654398919 /nfs/dbraw/zinc/39/89/19/654398919.db2.gz FIACLCYCQPMNLK-GFCCVEGCSA-N 1 1 387.933 2.098 20 0 GEADMO CO[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2F)CCS(=O)(=O)C1 ZINC000922617907 654404125 /nfs/dbraw/zinc/40/41/25/654404125.db2.gz XRGHOJNLVKKYCJ-CYBMUJFWSA-N 1 1 384.242 2.021 20 0 GEADMO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000922635888 654404906 /nfs/dbraw/zinc/40/49/06/654404906.db2.gz CFQKDSKHFIUIKV-UHFFFAOYSA-N 1 1 376.276 2.008 20 0 GEADMO C[C@@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000872946479 654406440 /nfs/dbraw/zinc/40/64/40/654406440.db2.gz ORWBHQIGCGBSJU-SKDRFNHKSA-N 1 1 380.798 2.272 20 0 GEADMO C[C@@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000872946479 654406447 /nfs/dbraw/zinc/40/64/47/654406447.db2.gz ORWBHQIGCGBSJU-SKDRFNHKSA-N 1 1 380.798 2.272 20 0 GEADMO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000906056753 654410616 /nfs/dbraw/zinc/41/06/16/654410616.db2.gz ACHCQUOPCXUVCQ-SHACYNPGSA-N 1 1 389.543 2.182 20 0 GEADMO Fc1cccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1I ZINC000873044874 654411859 /nfs/dbraw/zinc/41/18/59/654411859.db2.gz XQMSSORSGFZAJA-STQMWFEESA-N 1 1 390.240 2.383 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000893651629 654413583 /nfs/dbraw/zinc/41/35/83/654413583.db2.gz PEXWSSYPUQORNU-OAHLLOKOSA-N 1 1 397.361 2.269 20 0 GEADMO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@@H+](C)C1 ZINC000855363986 654415105 /nfs/dbraw/zinc/41/51/05/654415105.db2.gz XCZUASFXJCRNOL-LBPRGKRZSA-N 1 1 378.274 2.196 20 0 GEADMO CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H]1CC[N@@H+](CC)C1 ZINC000855490465 654421742 /nfs/dbraw/zinc/42/17/42/654421742.db2.gz JTJKKYMIGJIEPS-CYBMUJFWSA-N 1 1 387.933 2.147 20 0 GEADMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1cnc(N)cn1 ZINC000873210357 654422867 /nfs/dbraw/zinc/42/28/67/654422867.db2.gz CWWVYRDZFUQRBS-UHFFFAOYSA-N 1 1 379.258 2.387 20 0 GEADMO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1cnc(N)cn1 ZINC000873210357 654422869 /nfs/dbraw/zinc/42/28/69/654422869.db2.gz CWWVYRDZFUQRBS-UHFFFAOYSA-N 1 1 379.258 2.387 20 0 GEADMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906358404 654431241 /nfs/dbraw/zinc/43/12/41/654431241.db2.gz HWYRFGLVWFNNDI-LBPRGKRZSA-N 1 1 378.274 2.020 20 0 GEADMO Cn1nc(Br)nc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000893916041 654431328 /nfs/dbraw/zinc/43/13/28/654431328.db2.gz CUGZQEQUTUABRV-UHFFFAOYSA-N 1 1 382.281 2.425 20 0 GEADMO C[N@H+]1CC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000923223412 654435025 /nfs/dbraw/zinc/43/50/25/654435025.db2.gz 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FC(F)(F)COc1cccc(CN2CCNCC[NH2+]CC2)c1Br ZINC000923460042 654454315 /nfs/dbraw/zinc/45/43/15/654454315.db2.gz OVRGPPFVPFVNSL-UHFFFAOYSA-N 1 1 396.251 2.385 20 0 GEADMO Cn1cc(CNC[C@H](c2cccs2)[NH+](C)C)c(I)n1 ZINC000894384134 654471711 /nfs/dbraw/zinc/47/17/11/654471711.db2.gz LFJIRNRBHQUHKA-LLVKDONJSA-N 1 1 390.294 2.479 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923506000 654457768 /nfs/dbraw/zinc/45/77/68/654457768.db2.gz DUZULQDYDUODLG-NWDGAFQWSA-N 1 1 387.265 2.146 20 0 GEADMO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000894234150 654458188 /nfs/dbraw/zinc/45/81/88/654458188.db2.gz SVTCKRKAZUMQDO-OCCSQVGLSA-N 1 1 382.258 2.338 20 0 GEADMO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000894234150 654458193 /nfs/dbraw/zinc/45/81/93/654458193.db2.gz SVTCKRKAZUMQDO-OCCSQVGLSA-N 1 1 382.258 2.338 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)C(F)(F)c2ncccc2Br)n1C ZINC000906667500 654458439 /nfs/dbraw/zinc/45/84/39/654458439.db2.gz YTSKGUJGXUUNAH-UHFFFAOYSA-N 1 1 388.216 2.052 20 0 GEADMO CCc1onc(C)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000894251102 654459235 /nfs/dbraw/zinc/45/92/35/654459235.db2.gz GWOBXUQRTUWCDO-UHFFFAOYSA-N 1 1 375.853 2.406 20 0 GEADMO Cc1cc(OCC(=O)NCCCN2CCC[N@H+](C)CC2)ccc1Br ZINC000906681904 654459677 /nfs/dbraw/zinc/45/96/77/654459677.db2.gz BGGMDKUYYHIFGD-UHFFFAOYSA-N 1 1 398.345 2.280 20 0 GEADMO Cc1cc(OCC(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1Br ZINC000906681904 654459684 /nfs/dbraw/zinc/45/96/84/654459684.db2.gz BGGMDKUYYHIFGD-UHFFFAOYSA-N 1 1 398.345 2.280 20 0 GEADMO Cc1cc(OCC(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1Br ZINC000906681904 654459690 /nfs/dbraw/zinc/45/96/90/654459690.db2.gz BGGMDKUYYHIFGD-UHFFFAOYSA-N 1 1 398.345 2.280 20 0 GEADMO CN(C)c1nc(Cl)c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)s1 ZINC000856083158 654460647 /nfs/dbraw/zinc/46/06/47/654460647.db2.gz HWOVXOPHVLAEQT-VXGBXAGGSA-N 1 1 384.933 2.236 20 0 GEADMO O=C(NCc1cnc(Br)cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000923526170 654461423 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COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000873840223 654471348 /nfs/dbraw/zinc/47/13/48/654471348.db2.gz VIMZVYWUYRLFRX-LLVKDONJSA-N 1 1 396.285 2.163 20 0 GEADMO C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000906779111 654471517 /nfs/dbraw/zinc/47/15/17/654471517.db2.gz NNXMLTMYJWCTFF-NHYWBVRUSA-N 1 1 388.737 2.396 20 0 GEADMO C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@@H]1CN(C)CC[N@@H+]1C ZINC000906779111 654471528 /nfs/dbraw/zinc/47/15/28/654471528.db2.gz NNXMLTMYJWCTFF-NHYWBVRUSA-N 1 1 388.737 2.396 20 0 GEADMO C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)[C@@H]1CN(C)CC[N@H+]1C ZINC000906779111 654471531 /nfs/dbraw/zinc/47/15/31/654471531.db2.gz NNXMLTMYJWCTFF-NHYWBVRUSA-N 1 1 388.737 2.396 20 0 GEADMO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)NCc1ccco1 ZINC000894393399 654472076 /nfs/dbraw/zinc/47/20/76/654472076.db2.gz JUIZYHBYQOUYQK-LLVKDONJSA-N 1 1 384.889 2.021 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906791690 654472842 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Cn1ncc(I)c1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000894436659 654475823 /nfs/dbraw/zinc/47/58/23/654475823.db2.gz AWVKEMNLCBNGDR-ZDUSSCGKSA-N 1 1 382.249 2.484 20 0 GEADMO Cn1ncc(I)c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000894436659 654475824 /nfs/dbraw/zinc/47/58/24/654475824.db2.gz AWVKEMNLCBNGDR-ZDUSSCGKSA-N 1 1 382.249 2.484 20 0 GEADMO O=C(NCc1cnc(Cl)s1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000923681487 654475954 /nfs/dbraw/zinc/47/59/54/654475954.db2.gz JHSCGTSWEIXGQB-AWEZNQCLSA-N 1 1 380.901 2.363 20 0 GEADMO O=S(=O)(NCCCCC[NH+]1CCNCC1)c1cc(Cl)sc1Cl ZINC000923684435 654476300 /nfs/dbraw/zinc/47/63/00/654476300.db2.gz XMXBUPAPNQSZEU-UHFFFAOYSA-N 1 1 386.370 2.409 20 0 GEADMO CCn1ncc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000873881057 654476634 /nfs/dbraw/zinc/47/66/34/654476634.db2.gz OGCSFCFXCFGWJO-TXEJJXNPSA-N 1 1 387.322 2.283 20 0 GEADMO CCn1ncc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000873881057 654476640 /nfs/dbraw/zinc/47/66/40/654476640.db2.gz 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ZINC001164771591 721094215 /nfs/dbraw/zinc/09/42/15/721094215.db2.gz SCEVPYIQRXFEMU-HUUCEWRRSA-N 1 1 383.887 2.370 20 0 GEADMO c1c[nH]c(-c2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164862828 721119771 /nfs/dbraw/zinc/11/97/71/721119771.db2.gz BAOWJGXRMLUNSC-OALUTQOASA-N 1 1 376.464 2.346 20 0 GEADMO CCCNC(=O)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879536 721141518 /nfs/dbraw/zinc/14/15/18/721141518.db2.gz TYHPEHAGJDDVCG-RTBURBONSA-N 1 1 395.507 2.096 20 0 GEADMO COC(=O)c1ccc(Cl)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164772300 721145882 /nfs/dbraw/zinc/14/58/82/721145882.db2.gz VKSOLTJHXPOHAT-HUUCEWRRSA-N 1 1 389.887 2.213 20 0 GEADMO Cc1noc(-c2cccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869804 721146313 /nfs/dbraw/zinc/14/63/13/721146313.db2.gz BSNYFHQIHZDMEM-ROUUACIJSA-N 1 1 392.463 2.315 20 0 GEADMO COc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164772799 721150968 /nfs/dbraw/zinc/15/09/68/721150968.db2.gz WZODFCCYZWHRFI-IAGOWNOFSA-N 1 1 378.480 2.330 20 0 GEADMO Cc1noc(-c2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164878533 721155376 /nfs/dbraw/zinc/15/53/76/721155376.db2.gz QKERDOYYUSTLIG-RBUKOAKNSA-N 1 1 392.463 2.315 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C(=O)N5CCCC5)ccn4)C[C@H]3C2)cn1 ZINC001164762057 721170592 /nfs/dbraw/zinc/17/05/92/721170592.db2.gz CEWRBGPEZWRURW-WOJBJXKFSA-N 1 1 394.523 2.009 20 0 GEADMO C[C@@H]1CCc2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc2C1 ZINC001164880311 721175628 /nfs/dbraw/zinc/17/56/28/721175628.db2.gz VUXUVEBXVJFFRP-NSISKUIASA-N 1 1 379.508 2.476 20 0 GEADMO Cc1noc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164761338 721209176 /nfs/dbraw/zinc/20/91/76/721209176.db2.gz APZUJFXMBHIVIN-ZWKOTPCHSA-N 1 1 379.468 2.132 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccccn5)nn4)C[C@H]3C2)cn1 ZINC001164764935 721217607 /nfs/dbraw/zinc/21/76/07/721217607.db2.gz HGZYUQBGJWBVBS-ZWKOTPCHSA-N 1 1 375.480 2.230 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(-c5nccs5)n4)C[C@@H]3C2)cn1 ZINC001164759421 721244354 /nfs/dbraw/zinc/24/43/54/721244354.db2.gz ACATUFXEZYKLPB-HOTGVXAUSA-N 1 1 381.509 2.292 20 0 GEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nn2)C1 ZINC001164770835 721298422 /nfs/dbraw/zinc/29/84/22/721298422.db2.gz WTMQEIDURBVHGK-GOSISDBHSA-N 1 1 399.539 2.178 20 0 GEADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164877535 721326715 /nfs/dbraw/zinc/32/67/15/721326715.db2.gz VKQFKGBIEIITPU-UHFFFAOYSA-N 1 1 387.818 2.013 20 0 GEADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001164873318 721326759 /nfs/dbraw/zinc/32/67/59/721326759.db2.gz BFHGEXAOYXZDAZ-UHFFFAOYSA-N 1 1 375.807 2.318 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccccc54)C3)O2)CC1 ZINC001164889737 721384757 /nfs/dbraw/zinc/38/47/57/721384757.db2.gz LVFQEAMOIOJIPQ-GCJKJVERSA-N 1 1 381.524 2.395 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc5ccccc5n4)C3)O2)CC1 ZINC001164889288 721386023 /nfs/dbraw/zinc/38/60/23/721386023.db2.gz LLSIMMBBESQVOC-GCJKJVERSA-N 1 1 381.524 2.395 20 0 GEADMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1C(N)=O ZINC001164791613 721392184 /nfs/dbraw/zinc/39/21/84/721392184.db2.gz ZWTIFIFSSNTYLX-TXEJJXNPSA-N 1 1 377.901 2.167 20 0 GEADMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1C(N)=O ZINC001164791613 721392188 /nfs/dbraw/zinc/39/21/88/721392188.db2.gz ZWTIFIFSSNTYLX-TXEJJXNPSA-N 1 1 377.901 2.167 20 0 GEADMO Cc1nc2[nH]ccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890880 721393146 /nfs/dbraw/zinc/39/31/46/721393146.db2.gz OTFXBQPAFSATJF-UTKZUKDTSA-N 1 1 384.528 2.032 20 0 GEADMO Cc1nc2nc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2[nH]1 ZINC001164784300 721402432 /nfs/dbraw/zinc/40/24/32/721402432.db2.gz JMGZPBVDZZZYSD-GHMZBOCLSA-N 1 1 375.889 2.339 20 0 GEADMO Cn1cnc2c1nc(Cl)nc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781697 721404233 /nfs/dbraw/zinc/40/42/33/721404233.db2.gz CTRWECXGLVCJGM-GHMZBOCLSA-N 1 1 375.889 2.041 20 0 GEADMO CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164789190 721406105 /nfs/dbraw/zinc/40/61/05/721406105.db2.gz UCDSOOUGSCDLLQ-RYUDHWBXSA-N 1 1 393.900 2.331 20 0 GEADMO COCc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(SC)n1 ZINC001164786264 721408939 /nfs/dbraw/zinc/40/89/39/721408939.db2.gz ORLWOVBDIPDGBB-BETUJISGSA-N 1 1 377.539 2.370 20 0 GEADMO COCc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(SC)n1 ZINC001164786264 721408941 /nfs/dbraw/zinc/40/89/41/721408941.db2.gz ORLWOVBDIPDGBB-BETUJISGSA-N 1 1 377.539 2.370 20 0 GEADMO CSc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164886166 721410946 /nfs/dbraw/zinc/41/09/46/721410946.db2.gz HVOXHQSNJFTVPR-PXNSSMCTSA-N 1 1 391.585 2.272 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(N)cc4Cl)C3)O2)CC1 ZINC001164883532 721412506 /nfs/dbraw/zinc/41/25/06/721412506.db2.gz APFUJDOTQHPCQE-LPHOPBHVSA-N 1 1 379.936 2.083 20 0 GEADMO COC(=O)c1cc2ccncc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164791034 721413318 /nfs/dbraw/zinc/41/33/18/721413318.db2.gz YZAACMNCVNHPLE-HUUCEWRRSA-N 1 1 395.488 2.441 20 0 GEADMO CC(C)(C)OC(=O)c1ccnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787236 721414516 /nfs/dbraw/zinc/41/45/16/721414516.db2.gz PSGQNUUWRIIEHD-ZIAGYGMSSA-N 1 1 387.509 2.457 20 0 GEADMO CCOC(=O)c1cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(OC)c1 ZINC001164789007 721416558 /nfs/dbraw/zinc/41/65/58/721416558.db2.gz UDOCSVALRYCZPU-HUUCEWRRSA-N 1 1 388.493 2.292 20 0 GEADMO Cc1cnc2c(ccnc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897069 721443752 /nfs/dbraw/zinc/44/37/52/721443752.db2.gz SLKBPXVFJBEYEL-AVRDEDQJSA-N 1 1 396.539 2.099 20 0 GEADMO C[C@@H]1CCc2nnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc2C1 ZINC001164888676 721445542 /nfs/dbraw/zinc/44/55/42/721445542.db2.gz AEWAJFAUSGOXLG-RFWXGWTQSA-N 1 1 399.583 2.367 20 0 GEADMO C[N@@H+](Cc1ccc(N2Cc3nccn3C[C@@H](Cn3cccn3)C2)nc1)C1CC1 ZINC001164893439 721487469 /nfs/dbraw/zinc/48/74/69/721487469.db2.gz DIBQVTSMPUEVQC-GOSISDBHSA-N 1 1 377.496 2.405 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164796173 721523278 /nfs/dbraw/zinc/52/32/78/721523278.db2.gz XGOJXXHWZWZMJR-ZVDOUQERSA-N 1 1 394.523 2.340 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164796173 721523282 /nfs/dbraw/zinc/52/32/82/721523282.db2.gz XGOJXXHWZWZMJR-ZVDOUQERSA-N 1 1 394.523 2.340 20 0 GEADMO COC(=O)c1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1F ZINC001164898181 721525052 /nfs/dbraw/zinc/52/50/52/721525052.db2.gz IETCQQWTEJLRGG-HOCLYGCPSA-N 1 1 389.402 2.488 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164806110 721534825 /nfs/dbraw/zinc/53/48/25/721534825.db2.gz NYJCLIJOWFXODV-NLWGTHIKSA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164806110 721534830 /nfs/dbraw/zinc/53/48/30/721534830.db2.gz NYJCLIJOWFXODV-NLWGTHIKSA-N 1 1 376.464 2.288 20 0 GEADMO O=C(NC1CC1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164912031 721538529 /nfs/dbraw/zinc/53/85/29/721538529.db2.gz YIZJKHFUNCOAAN-UYAOXDASSA-N 1 1 396.466 2.455 20 0 GEADMO C[C@@H]1C(=O)Nc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164910328 721538687 /nfs/dbraw/zinc/53/86/87/721538687.db2.gz UIEJUGCLTUUNLR-BJJXKVORSA-N 1 1 383.427 2.013 20 0 GEADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4[nH+][n-]c(Cl)c5ncnc4-5)CC[N@H+]3C2)c1 ZINC001164906340 721543185 /nfs/dbraw/zinc/54/31/85/721543185.db2.gz JYFQLENLHKESOA-TZMCWYRMSA-N 1 1 388.834 2.487 20 0 GEADMO CC1(C)C(=O)Nc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908233 721549860 /nfs/dbraw/zinc/54/98/60/721549860.db2.gz PORGKPHJLJVMDS-GDBMZVCRSA-N 1 1 397.454 2.187 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3cccnc3n2)[C@@H]2CCCO[C@H]12 ZINC001164799567 721557253 /nfs/dbraw/zinc/55/72/53/721557253.db2.gz CMXZNORUSNISSE-QRVBRYPASA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3cccnc3n2)[C@@H]2CCCO[C@H]12 ZINC001164799567 721557254 /nfs/dbraw/zinc/55/72/54/721557254.db2.gz CMXZNORUSNISSE-QRVBRYPASA-N 1 1 376.464 2.288 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cncc(Cl)n2)CC1 ZINC001165009462 721742004 /nfs/dbraw/zinc/74/20/04/721742004.db2.gz DWPPZZJEIGLYOO-UHFFFAOYSA-N 1 1 387.862 2.198 20 0 GEADMO Cc1nc2ccoc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913032 721767005 /nfs/dbraw/zinc/76/70/05/721767005.db2.gz UCEOCRVVNHNPRA-NRFANRHFSA-N 1 1 395.463 2.034 20 0 GEADMO Cc1nc2ccoc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913032 721767012 /nfs/dbraw/zinc/76/70/12/721767012.db2.gz UCEOCRVVNHNPRA-NRFANRHFSA-N 1 1 395.463 2.034 20 0 GEADMO c1nc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164917694 721784751 /nfs/dbraw/zinc/78/47/51/721784751.db2.gz YVCFFAWXIGLZFJ-FQEVSTJZSA-N 1 1 397.504 2.194 20 0 GEADMO c1nc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164917694 721784753 /nfs/dbraw/zinc/78/47/53/721784753.db2.gz YVCFFAWXIGLZFJ-FQEVSTJZSA-N 1 1 397.504 2.194 20 0 GEADMO COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165026384 721804259 /nfs/dbraw/zinc/80/42/59/721804259.db2.gz RDDRKQSMBKPXGL-IPELMVKDSA-N 1 1 381.480 2.395 20 0 GEADMO COC(=O)c1cncnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028362 721813773 /nfs/dbraw/zinc/81/37/73/721813773.db2.gz XQGKOAABXRTIKR-SNRMKQJTSA-N 1 1 381.480 2.395 20 0 GEADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164930444 721850771 /nfs/dbraw/zinc/85/07/71/721850771.db2.gz RYRNEOSVSDLMFI-ZWKOTPCHSA-N 1 1 383.496 2.021 20 0 GEADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164930444 721850773 /nfs/dbraw/zinc/85/07/73/721850773.db2.gz 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20 0 GEADMO COc1ccc(Br)cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000134054264 532248595 /nfs/dbraw/zinc/24/85/95/532248595.db2.gz NKUSUFKRTGZJIJ-CQSZACIVSA-N 1 1 385.302 2.424 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(Br)n1 ZINC000179886462 532249236 /nfs/dbraw/zinc/24/92/36/532249236.db2.gz LOZLMHHXDQZBQD-CYBMUJFWSA-N 1 1 397.317 2.185 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(Br)n1 ZINC000179907750 532249620 /nfs/dbraw/zinc/24/96/20/532249620.db2.gz OEYWKYDPMVPWAP-CYBMUJFWSA-N 1 1 397.317 2.328 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000134121394 532250607 /nfs/dbraw/zinc/25/06/07/532250607.db2.gz SYBKESJMOXJZCL-LBPRGKRZSA-N 1 1 398.301 2.196 20 0 GEADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000134228772 532252238 /nfs/dbraw/zinc/25/22/38/532252238.db2.gz LHMPRJLFTYRYFE-UHFFFAOYSA-N 1 1 378.274 2.428 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000135350442 532270731 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C[C@@H](NC(=O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000134857801 532264073 /nfs/dbraw/zinc/26/40/73/532264073.db2.gz UUNNGBJHIQNRFK-CYBMUJFWSA-N 1 1 383.945 2.489 20 0 GEADMO C[N@H+](Cc1ccc(Cl)c(Br)c1)C[C@H](O)CN1CCOCC1 ZINC000180372609 532269290 /nfs/dbraw/zinc/26/92/90/532269290.db2.gz JHVIMDALIOTVHO-ZDUSSCGKSA-N 1 1 377.710 2.227 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000180710455 532278790 /nfs/dbraw/zinc/27/87/90/532278790.db2.gz RXZWRXNMLCPMRF-UHFFFAOYSA-N 1 1 382.302 2.137 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000180710455 532278795 /nfs/dbraw/zinc/27/87/95/532278795.db2.gz RXZWRXNMLCPMRF-UHFFFAOYSA-N 1 1 382.302 2.137 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1nc2c(s1)CCCC2 ZINC000180743984 532279563 /nfs/dbraw/zinc/27/95/63/532279563.db2.gz HROHVHPZBFRKRK-UONOGXRCSA-N 1 1 387.571 2.161 20 0 GEADMO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(CO)CO ZINC000135913346 532280641 /nfs/dbraw/zinc/28/06/41/532280641.db2.gz 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C[C@H](NC(=O)NCCCc1cccc(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000151053941 532306725 /nfs/dbraw/zinc/30/67/25/532306725.db2.gz SZIWIXZRLZBCEH-BBRMVZONSA-N 1 1 384.318 2.400 20 0 GEADMO C[C@H](NC(=O)NCCCc1cccc(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151053941 532306726 /nfs/dbraw/zinc/30/67/26/532306726.db2.gz SZIWIXZRLZBCEH-BBRMVZONSA-N 1 1 384.318 2.400 20 0 GEADMO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c(Br)c1 ZINC000181925328 532307324 /nfs/dbraw/zinc/30/73/24/532307324.db2.gz JTFQUELBGMDFQY-NSHDSACASA-N 1 1 379.320 2.436 20 0 GEADMO CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151151924 532307789 /nfs/dbraw/zinc/30/77/89/532307789.db2.gz AWSIBZVQKUNSLZ-CVEARBPZSA-N 1 1 381.929 2.408 20 0 GEADMO O=C(CCCC[NH+]1CCOCC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000181086155 532290652 /nfs/dbraw/zinc/29/06/52/532290652.db2.gz NWGOPGKKKWAQDR-INIZCTEOSA-N 1 1 385.302 2.101 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C[C@H](O)c2ccccc2Br)[C@@H](C)C1 ZINC000182110947 532309674 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GEADMO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000185236559 532337424 /nfs/dbraw/zinc/33/74/24/532337424.db2.gz SMBMOIJSCOKIAJ-UHFFFAOYSA-N 1 1 380.436 2.084 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2sccc2Br)C[C@H]1C ZINC000185801819 532338750 /nfs/dbraw/zinc/33/87/50/532338750.db2.gz TULATIPRDZRDDY-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2sccc2Br)C[C@@H]1C ZINC000185801838 532338762 /nfs/dbraw/zinc/33/87/62/532338762.db2.gz TULATIPRDZRDDY-WDEREUQCSA-N 1 1 376.320 2.107 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000185934724 532339184 /nfs/dbraw/zinc/33/91/84/532339184.db2.gz DMYMPCKLVLIJAU-CMPLNLGQSA-N 1 1 389.315 2.361 20 0 GEADMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185973363 532339347 /nfs/dbraw/zinc/33/93/47/532339347.db2.gz KKWYUWUWWZLEPE-LLVKDONJSA-N 1 1 389.315 2.004 20 0 GEADMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000186098958 532339775 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C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186938201 532342665 /nfs/dbraw/zinc/34/26/65/532342665.db2.gz QFDOYFCMBHZZJA-LLVKDONJSA-N 1 1 382.555 2.341 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186938201 532342666 /nfs/dbraw/zinc/34/26/66/532342666.db2.gz QFDOYFCMBHZZJA-LLVKDONJSA-N 1 1 382.555 2.341 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000183633604 532326971 /nfs/dbraw/zinc/32/69/71/532326971.db2.gz DPGVZIDGBQYXBK-VIFPVBQESA-N 1 1 377.080 2.431 20 0 GEADMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183892319 532330067 /nfs/dbraw/zinc/33/00/67/532330067.db2.gz LBOLFTYWBJVVPU-YGRLFVJLSA-N 1 1 396.285 2.239 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000183945755 532330149 /nfs/dbraw/zinc/33/01/49/532330149.db2.gz OGMSTNJJQQOOAP-UHFFFAOYSA-N 1 1 393.709 2.302 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000184307032 532331626 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CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188140866 532346888 /nfs/dbraw/zinc/34/68/88/532346888.db2.gz KMWCOWWDBSUSHZ-CQSZACIVSA-N 1 1 390.933 2.374 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000188690792 532349237 /nfs/dbraw/zinc/34/92/37/532349237.db2.gz KYQMOWATJMJRSM-QWHCGFSZSA-N 1 1 387.293 2.434 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000188746875 532349478 /nfs/dbraw/zinc/34/94/78/532349478.db2.gz GCNGAWIZOKVKHS-CYBMUJFWSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000188891097 532349957 /nfs/dbraw/zinc/34/99/57/532349957.db2.gz JFHIMCKOFBCUEU-JTQLQIEISA-N 1 1 380.436 2.149 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1Br)OCCO2 ZINC000189419492 532352099 /nfs/dbraw/zinc/35/20/99/532352099.db2.gz LIGZJAJYQWNHEW-CYBMUJFWSA-N 1 1 399.329 2.497 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000189400474 532352104 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CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000189766753 532353636 /nfs/dbraw/zinc/35/36/36/532353636.db2.gz KAWFIFUUSHIHLD-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)CC[N@H+]1CC(C)(C)O ZINC000189889174 532353909 /nfs/dbraw/zinc/35/39/09/532353909.db2.gz PJKOTACZJQRNMA-ZDUSSCGKSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC[N@H+]1CC(C)(C)O ZINC000189881952 532353940 /nfs/dbraw/zinc/35/39/40/532353940.db2.gz HYMDVEWXIBHHSH-NSHDSACASA-N 1 1 399.289 2.369 20 0 GEADMO C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CC[N@H+]1CC(C)(C)O ZINC000189929661 532354168 /nfs/dbraw/zinc/35/41/68/532354168.db2.gz WTIHDIHCKVJEJH-GFCCVEGCSA-N 1 1 385.302 2.455 20 0 GEADMO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccsc2Cl)C[C@H](C)O1 ZINC000189985160 532354348 /nfs/dbraw/zinc/35/43/48/532354348.db2.gz HVNSEPNPDIVHCT-AVGNSLFASA-N 1 1 385.917 2.440 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190073950 532354616 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Cc1cc(Br)cc2c1C[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000558722438 532398728 /nfs/dbraw/zinc/39/87/28/532398728.db2.gz GIOZSUGZMKYULB-ZDUSSCGKSA-N 1 1 387.343 2.397 20 0 GEADMO C[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000591094693 532398835 /nfs/dbraw/zinc/39/88/35/532398835.db2.gz WLNNIHAFFZPFRH-GFCCVEGCSA-N 1 1 380.495 2.072 20 0 GEADMO CC[N@@H+]1CCC[C@H]1CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000295004905 532396545 /nfs/dbraw/zinc/39/65/45/532396545.db2.gz AIMRMKSPDGUVLK-LBPRGKRZSA-N 1 1 378.274 2.286 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000295004905 532396549 /nfs/dbraw/zinc/39/65/49/532396549.db2.gz AIMRMKSPDGUVLK-LBPRGKRZSA-N 1 1 378.274 2.286 20 0 GEADMO C[N@@H+](Cc1cccc(F)c1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000295002912 532396620 /nfs/dbraw/zinc/39/66/20/532396620.db2.gz YTENYWMFKCZSOA-UHFFFAOYSA-N 1 1 379.295 2.444 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000372556516 532397276 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GEADMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cn1 ZINC000279738122 532401456 /nfs/dbraw/zinc/40/14/56/532401456.db2.gz WXCUGQDLIWIQDP-CHWSQXEVSA-N 1 1 399.333 2.392 20 0 GEADMO CNC(=O)CCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516979434 532401491 /nfs/dbraw/zinc/40/14/91/532401491.db2.gz NHHPLVAZFGLVIW-UHFFFAOYSA-N 1 1 388.295 2.043 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000678799611 532401815 /nfs/dbraw/zinc/40/18/15/532401815.db2.gz BCYDRSUEIUZZGK-CYBMUJFWSA-N 1 1 398.320 2.499 20 0 GEADMO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CCOC1 ZINC000464628871 532402197 /nfs/dbraw/zinc/40/21/97/532402197.db2.gz QFXMZPPRQHFLPW-MRXNPFEDSA-N 1 1 385.258 2.008 20 0 GEADMO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038714 532406098 /nfs/dbraw/zinc/40/60/98/532406098.db2.gz ISVUATFQAPKTCN-SECBINFHSA-N 1 1 382.313 2.064 20 0 GEADMO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000648918502 532409118 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20 0 GEADMO OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC1(O)CCC1 ZINC000625136023 532412597 /nfs/dbraw/zinc/41/25/97/532412597.db2.gz OXDFORPOIYHYIP-CQSZACIVSA-N 1 1 376.266 2.049 20 0 GEADMO OCC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC1(O)CCC1 ZINC000625136023 532412603 /nfs/dbraw/zinc/41/26/03/532412603.db2.gz OXDFORPOIYHYIP-CQSZACIVSA-N 1 1 376.266 2.049 20 0 GEADMO C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000680437563 532414827 /nfs/dbraw/zinc/41/48/27/532414827.db2.gz RGTGZUNNRKBCKK-BXKDBHETSA-N 1 1 375.803 2.051 20 0 GEADMO C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000680437563 532414832 /nfs/dbraw/zinc/41/48/32/532414832.db2.gz RGTGZUNNRKBCKK-BXKDBHETSA-N 1 1 375.803 2.051 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)CCC(F)(F)F ZINC000427212074 532416523 /nfs/dbraw/zinc/41/65/23/532416523.db2.gz ZKGXJKDXHQLEGP-GFCCVEGCSA-N 1 1 383.480 2.325 20 0 GEADMO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc(Br)c3)C2)C1=O ZINC000372901848 532418606 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C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000649706072 532423115 /nfs/dbraw/zinc/42/31/15/532423115.db2.gz UORZOTSMRZIMJD-ZLIFDBKOSA-N 1 1 375.296 2.138 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000466226469 532423545 /nfs/dbraw/zinc/42/35/45/532423545.db2.gz NIDAMKJNFOSNPB-XHDPSFHLSA-N 1 1 392.301 2.379 20 0 GEADMO COc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000625420502 532426076 /nfs/dbraw/zinc/42/60/76/532426076.db2.gz GRVGWVQPINKABG-GFCCVEGCSA-N 1 1 391.331 2.468 20 0 GEADMO Cc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(Br)n1 ZINC000281613346 532426603 /nfs/dbraw/zinc/42/66/03/532426603.db2.gz ABCWSCQNVPMZKG-UHFFFAOYSA-N 1 1 384.322 2.300 20 0 GEADMO C[N@@H+](CC1(O)CCOCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000373034691 532427099 /nfs/dbraw/zinc/42/70/99/532427099.db2.gz GNFPTCNWULPUMC-HNNXBMFYSA-N 1 1 383.286 2.028 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000561014265 532427137 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C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000518072566 532435356 /nfs/dbraw/zinc/43/53/56/532435356.db2.gz GFUBJAAMGGLGCQ-TXEJJXNPSA-N 1 1 393.962 2.059 20 0 GEADMO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000518114700 532435617 /nfs/dbraw/zinc/43/56/17/532435617.db2.gz IPAZVLTUHDZOMT-YESZJQIVSA-N 1 1 396.329 2.451 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000626166253 532435647 /nfs/dbraw/zinc/43/56/47/532435647.db2.gz QTAUUVYYOBQJPD-GFCCVEGCSA-N 1 1 391.331 2.219 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2Br)C1 ZINC000626166253 532435653 /nfs/dbraw/zinc/43/56/53/532435653.db2.gz QTAUUVYYOBQJPD-GFCCVEGCSA-N 1 1 391.331 2.219 20 0 GEADMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)n1 ZINC000626144324 532435989 /nfs/dbraw/zinc/43/59/89/532435989.db2.gz BJZFLUAFODFCEQ-GXTWGEPZSA-N 1 1 381.230 2.199 20 0 GEADMO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ncc(Br)cc1F ZINC000427890974 532436600 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CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000684620963 532480498 /nfs/dbraw/zinc/48/04/98/532480498.db2.gz RBTYTTLYZLHWLK-MRXNPFEDSA-N 1 1 392.301 2.473 20 0 GEADMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F ZINC000373940864 532480584 /nfs/dbraw/zinc/48/05/84/532480584.db2.gz XSCLFNJTTKMSBA-ZDUSSCGKSA-N 1 1 375.441 2.028 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F ZINC000373940864 532480590 /nfs/dbraw/zinc/48/05/90/532480590.db2.gz XSCLFNJTTKMSBA-ZDUSSCGKSA-N 1 1 375.441 2.028 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000221861734 532486213 /nfs/dbraw/zinc/48/62/13/532486213.db2.gz DIHZRVMDVONXFA-LLVKDONJSA-N 1 1 379.320 2.466 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000374033743 532486641 /nfs/dbraw/zinc/48/66/41/532486641.db2.gz NCEWBWDTLHUGNU-RHSMWYFYSA-N 1 1 387.293 2.418 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000374033743 532486645 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386.265 2.388 20 0 GEADMO C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539504917 532731510 /nfs/dbraw/zinc/73/15/10/532731510.db2.gz WVONBCQGTYRTPS-VXGBXAGGSA-N 1 1 384.885 2.115 20 0 GEADMO C[N@H+]1CCN(CCNc2cc(Br)cc(F)c2C(N)=O)CC1(C)C ZINC000440645846 532719691 /nfs/dbraw/zinc/71/96/91/532719691.db2.gz DYUVUQOTSNXAFJ-UHFFFAOYSA-N 1 1 387.297 2.125 20 0 GEADMO CC(C)[C@H](CNc1ncc(S(N)(=O)=O)s1)[N@H+]1CCc2ccccc2C1 ZINC000301169383 532742845 /nfs/dbraw/zinc/74/28/45/532742845.db2.gz WNIRDVMQYPJGRH-HNNXBMFYSA-N 1 1 380.539 2.285 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503324703 532745503 /nfs/dbraw/zinc/74/55/03/532745503.db2.gz QNKKSJPEYSULPJ-JTQLQIEISA-N 1 1 377.229 2.107 20 0 GEADMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864741 532746268 /nfs/dbraw/zinc/74/62/68/532746268.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864741 532746277 /nfs/dbraw/zinc/74/62/77/532746277.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864741 532746281 /nfs/dbraw/zinc/74/62/81/532746281.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864741 532746286 /nfs/dbraw/zinc/74/62/86/532746286.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864741 532746294 /nfs/dbraw/zinc/74/62/94/532746294.db2.gz PFHJSTANGRNBJV-HIFRSBDPSA-N 1 1 395.301 2.495 20 0 GEADMO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614103693 532734719 /nfs/dbraw/zinc/73/47/19/532734719.db2.gz MUXBPORZRWIRHE-KBPBESRZSA-N 1 1 399.260 2.479 20 0 GEADMO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614095868 532734959 /nfs/dbraw/zinc/73/49/59/532734959.db2.gz 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ZINC000301104053 532740023 /nfs/dbraw/zinc/74/00/23/532740023.db2.gz QFMWYIOZDGNQPL-UHFFFAOYSA-N 1 1 375.523 2.487 20 0 GEADMO C[NH+](C)CCN(C(=O)c1ccc(-c2ccco2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000675821698 532740524 /nfs/dbraw/zinc/74/05/24/532740524.db2.gz LVLMDLZXWSLBIZ-ZDUSSCGKSA-N 1 1 382.507 2.199 20 0 GEADMO O=C(CCn1cc(Br)cn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000614548654 532740952 /nfs/dbraw/zinc/74/09/52/532740952.db2.gz UNEYOJHKWNVJDS-UHFFFAOYSA-N 1 1 391.313 2.423 20 0 GEADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000614550147 532741153 /nfs/dbraw/zinc/74/11/53/532741153.db2.gz RRHVUMCLGBBWFU-CHWSQXEVSA-N 1 1 387.322 2.040 20 0 GEADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000614550149 532741308 /nfs/dbraw/zinc/74/13/08/532741308.db2.gz RRHVUMCLGBBWFU-STQMWFEESA-N 1 1 387.322 2.040 20 0 GEADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000614550146 532741329 /nfs/dbraw/zinc/74/13/29/532741329.db2.gz RRHVUMCLGBBWFU-BETUJISGSA-N 1 1 387.322 2.040 20 0 GEADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000614550146 532741334 /nfs/dbraw/zinc/74/13/34/532741334.db2.gz RRHVUMCLGBBWFU-BETUJISGSA-N 1 1 387.322 2.040 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)CCn2cc(Cl)cn2)c2cccs2)CC1 ZINC000614525833 532741420 /nfs/dbraw/zinc/74/14/20/532741420.db2.gz MOKPSXHCSWUDOD-OAHLLOKOSA-N 1 1 381.933 2.093 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)c1[nH]nc2ccc(I)cc21 ZINC000506771640 532754424 /nfs/dbraw/zinc/75/44/24/532754424.db2.gz HOZPMNGSDYYMRQ-UHFFFAOYSA-N 1 1 396.232 2.159 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000617886142 532755331 /nfs/dbraw/zinc/75/53/31/532755331.db2.gz UTLFPJJNWXOWEN-NSHDSACASA-N 1 1 375.416 2.490 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CSCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000618360939 532756062 /nfs/dbraw/zinc/75/60/62/532756062.db2.gz BKLUTNMEIZMWOK-MLGOLLRUSA-N 1 1 398.370 2.489 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000268167767 532756763 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COc1ccc(Br)cc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620481530 532762687 /nfs/dbraw/zinc/76/26/87/532762687.db2.gz FXEHCNOKHSQZAR-CQSZACIVSA-N 1 1 383.286 2.129 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@H+]1C ZINC000504613748 532748557 /nfs/dbraw/zinc/74/85/57/532748557.db2.gz KVLBVXWQRSSNGC-ONGXEEELSA-N 1 1 375.803 2.479 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@H+]1C ZINC000443719210 532749316 /nfs/dbraw/zinc/74/93/16/532749316.db2.gz BPYDMOHTDKVLIQ-WCBMZHEXSA-N 1 1 390.228 2.265 20 0 GEADMO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000267852728 532751683 /nfs/dbraw/zinc/75/16/83/532751683.db2.gz DXLGNVXXMQGWHA-QWHCGFSZSA-N 1 1 384.249 2.270 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000411246499 532751834 /nfs/dbraw/zinc/75/18/34/532751834.db2.gz MWNBCNHWXWAAPT-MFKMUULPSA-N 1 1 377.794 2.128 20 0 GEADMO C[C@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000286509992 532752065 /nfs/dbraw/zinc/75/20/65/532752065.db2.gz OEJFXXFHNFKHMW-LBPRGKRZSA-N 1 1 384.307 2.419 20 0 GEADMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000541388534 532752220 /nfs/dbraw/zinc/75/22/20/532752220.db2.gz AIVBIUJLKYRCIA-UHFFFAOYSA-N 1 1 381.885 2.196 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000411837442 532776803 /nfs/dbraw/zinc/77/68/03/532776803.db2.gz ACNTXHVTOWIJAK-UHFFFAOYSA-N 1 1 387.311 2.420 20 0 GEADMO COCC(COC)[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000411862374 532777856 /nfs/dbraw/zinc/77/78/56/532777856.db2.gz PBTJXDZSCVPEDH-UHFFFAOYSA-N 1 1 390.311 2.211 20 0 GEADMO Cc1nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000310790852 532777991 /nfs/dbraw/zinc/77/79/91/532777991.db2.gz DPSCLPILFSEMSE-WFASDCNBSA-N 1 1 380.539 2.421 20 0 GEADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269263617 532778004 /nfs/dbraw/zinc/77/80/04/532778004.db2.gz CQQIKZLGKZMIAE-UKRRQHHQSA-N 1 1 380.901 2.379 20 0 GEADMO CN(C)c1nc2sc(C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2s1 ZINC000620487314 532763962 /nfs/dbraw/zinc/76/39/62/532763962.db2.gz VTLSWOHTVOKIBN-LBPRGKRZSA-N 1 1 380.539 2.095 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)CCc2ccc(Br)cc2OC)C1 ZINC000542081948 532764302 /nfs/dbraw/zinc/76/43/02/532764302.db2.gz MFQGCNBBZXBROV-HNNXBMFYSA-N 1 1 385.302 2.227 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)c1cc[nH+]cc1C(N)=O ZINC000302007483 532764767 /nfs/dbraw/zinc/76/47/67/532764767.db2.gz AVCMIFFQUBZBJD-UHFFFAOYSA-N 1 1 377.242 2.326 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000286752253 532767377 /nfs/dbraw/zinc/76/73/77/532767377.db2.gz JXDBIQWRXHEDCQ-VIFPVBQESA-N 1 1 379.657 2.380 20 0 GEADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000268604895 532768622 /nfs/dbraw/zinc/76/86/22/532768622.db2.gz QRVRYIMEVLLTBB-UHFFFAOYSA-N 1 1 383.290 2.077 20 0 GEADMO NC(=O)c1c[nH+]ccc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000302231965 532768882 /nfs/dbraw/zinc/76/88/82/532768882.db2.gz SGBCGXRDBCTDMJ-UHFFFAOYSA-N 1 1 379.247 2.450 20 0 GEADMO Cc1ccc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1Br ZINC000268620231 532769466 /nfs/dbraw/zinc/76/94/66/532769466.db2.gz UGZNBMWCHVZIOA-UHFFFAOYSA-N 1 1 397.317 2.385 20 0 GEADMO Cc1nc(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)ccc1I ZINC000509421733 532769993 /nfs/dbraw/zinc/76/99/93/532769993.db2.gz HQUAFBDAZLIQTP-LBPRGKRZSA-N 1 1 389.237 2.042 20 0 GEADMO Cc1nc(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)ccc1I ZINC000509421733 532769995 /nfs/dbraw/zinc/76/99/95/532769995.db2.gz HQUAFBDAZLIQTP-LBPRGKRZSA-N 1 1 389.237 2.042 20 0 GEADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000302542930 532771403 /nfs/dbraw/zinc/77/14/03/532771403.db2.gz OFJNJOOAJMCWDI-GFCCVEGCSA-N 1 1 380.432 2.262 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000302542930 532771412 /nfs/dbraw/zinc/77/14/12/532771412.db2.gz OFJNJOOAJMCWDI-GFCCVEGCSA-N 1 1 380.432 2.262 20 0 GEADMO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000268985390 532773368 /nfs/dbraw/zinc/77/33/68/532773368.db2.gz FEVANQUOJKELFW-JTQLQIEISA-N 1 1 377.388 2.347 20 0 GEADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000268985390 532773373 /nfs/dbraw/zinc/77/33/73/532773373.db2.gz FEVANQUOJKELFW-JTQLQIEISA-N 1 1 377.388 2.347 20 0 GEADMO CC(C)C[C@H](CNc1cc(Br)cnc1C(N)=O)[NH+]1CCOCC1 ZINC000542469380 532773753 /nfs/dbraw/zinc/77/37/53/532773753.db2.gz BFMKPTHECOBOMV-CYBMUJFWSA-N 1 1 385.306 2.102 20 0 GEADMO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411748732 532774304 /nfs/dbraw/zinc/77/43/04/532774304.db2.gz SOKLPEGQUOPCSB-CYBMUJFWSA-N 1 1 377.457 2.163 20 0 GEADMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411748732 532774306 /nfs/dbraw/zinc/77/43/06/532774306.db2.gz SOKLPEGQUOPCSB-CYBMUJFWSA-N 1 1 377.457 2.163 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@@H](C)C1 ZINC000287078803 532782361 /nfs/dbraw/zinc/78/23/61/532782361.db2.gz IHFFACKGHJLBSQ-WDEREUQCSA-N 1 1 376.320 2.107 20 0 GEADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456492619 532782493 /nfs/dbraw/zinc/78/24/93/532782493.db2.gz SFKFCTICXTUFGY-GFCCVEGCSA-N 1 1 375.282 2.197 20 0 GEADMO Cc1ccc(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)cc1S(N)(=O)=O ZINC000287101474 532783361 /nfs/dbraw/zinc/78/33/61/532783361.db2.gz XUQKIWBPLLSPBQ-UHFFFAOYSA-N 1 1 375.441 2.091 20 0 GEADMO CCc1ncsc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000269566009 532783492 /nfs/dbraw/zinc/78/34/92/532783492.db2.gz FJYXSPJTPLMOBS-LLVKDONJSA-N 1 1 378.523 2.269 20 0 GEADMO CCc1ncsc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000269566009 532783493 /nfs/dbraw/zinc/78/34/93/532783493.db2.gz FJYXSPJTPLMOBS-LLVKDONJSA-N 1 1 378.523 2.269 20 0 GEADMO COC(=O)[C@@H]1CSCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412084509 532785260 /nfs/dbraw/zinc/78/52/60/532785260.db2.gz TVKXRMDWXOEPKY-ZFWWWQNUSA-N 1 1 377.428 2.447 20 0 GEADMO CC1(C)CCC[N@H+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000457068683 532785479 /nfs/dbraw/zinc/78/54/79/532785479.db2.gz DWDFUVVMCBWPBL-UHFFFAOYSA-N 1 1 382.302 2.170 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCCc1ccc(Br)s1 ZINC000457080591 532785650 /nfs/dbraw/zinc/78/56/50/532785650.db2.gz AVYIGVOQAJDEPL-GFCCVEGCSA-N 1 1 375.332 2.358 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCCc1ccc(Br)s1 ZINC000457080591 532785653 /nfs/dbraw/zinc/78/56/53/532785653.db2.gz AVYIGVOQAJDEPL-GFCCVEGCSA-N 1 1 375.332 2.358 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cn2cc(Br)cn2)on1 ZINC000269685470 532785908 /nfs/dbraw/zinc/78/59/08/532785908.db2.gz CRWLVFPRHDKOFD-UKRRQHHQSA-N 1 1 394.273 2.039 20 0 GEADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457110789 532786840 /nfs/dbraw/zinc/78/68/40/532786840.db2.gz ZPLYMRGHQIUROQ-STQMWFEESA-N 1 1 387.293 2.292 20 0 GEADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457110789 532786844 /nfs/dbraw/zinc/78/68/44/532786844.db2.gz ZPLYMRGHQIUROQ-STQMWFEESA-N 1 1 387.293 2.292 20 0 GEADMO COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000269708346 532787508 /nfs/dbraw/zinc/78/75/08/532787508.db2.gz TXCPTUBJXDVSNF-GFCCVEGCSA-N 1 1 385.917 2.231 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCCOc1ccccc1Br ZINC000457121647 532787656 /nfs/dbraw/zinc/78/76/56/532787656.db2.gz LYDQEUAPKMXKPN-AWEZNQCLSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCCOc1ccccc1Br ZINC000457121647 532787661 /nfs/dbraw/zinc/78/76/61/532787661.db2.gz LYDQEUAPKMXKPN-AWEZNQCLSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458198756 532792481 /nfs/dbraw/zinc/79/24/81/532792481.db2.gz UJGXVGQRJUXBFJ-KGLIPLIRSA-N 1 1 396.329 2.416 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000458241982 532793499 /nfs/dbraw/zinc/79/34/99/532793499.db2.gz AUFVCFHGBHRUMN-LRDDRELGSA-N 1 1 382.302 2.144 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000458241982 532793501 /nfs/dbraw/zinc/79/35/01/532793501.db2.gz AUFVCFHGBHRUMN-LRDDRELGSA-N 1 1 382.302 2.144 20 0 GEADMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[N@@H+](C)C1 ZINC000411925771 532780389 /nfs/dbraw/zinc/78/03/89/532780389.db2.gz ZSIGGFRQMLBPCQ-NEPJUHHUSA-N 1 1 388.295 2.357 20 0 GEADMO CCSCCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000287049046 532780926 /nfs/dbraw/zinc/78/09/26/532780926.db2.gz LNRVWBLEZWIQIU-HNNXBMFYSA-N 1 1 383.583 2.336 20 0 GEADMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000554934320 532806221 /nfs/dbraw/zinc/80/62/21/532806221.db2.gz HLBLTXLVCXQVMW-HNNXBMFYSA-N 1 1 386.323 2.206 20 0 GEADMO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000271508677 532807861 /nfs/dbraw/zinc/80/78/61/532807861.db2.gz NIYQQTMUOBILCD-JTQLQIEISA-N 1 1 383.246 2.073 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000287792663 532809159 /nfs/dbraw/zinc/80/91/59/532809159.db2.gz IYCCVSRFPCZTPX-TZMCWYRMSA-N 1 1 397.317 2.012 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000271601406 532809789 /nfs/dbraw/zinc/80/97/89/532809789.db2.gz XRMZIFVLXLNXCD-LLVKDONJSA-N 1 1 383.290 2.082 20 0 GEADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000460996650 532798955 /nfs/dbraw/zinc/79/89/55/532798955.db2.gz PAVOVRVYGLKJGM-KGLIPLIRSA-N 1 1 385.302 2.443 20 0 GEADMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)NC(=O)NCc1cccs1 ZINC000551119922 532799727 /nfs/dbraw/zinc/79/97/27/532799727.db2.gz LCFGFYAARZSDLT-KBPBESRZSA-N 1 1 383.539 2.060 20 0 GEADMO COC(=O)C[C@@]1([NH2+]Cc2ccc(C(=O)OC)cc2Br)CCOC1 ZINC000551551941 532799930 /nfs/dbraw/zinc/79/99/30/532799930.db2.gz ILSYBXWXADVBRC-INIZCTEOSA-N 1 1 386.242 2.048 20 0 GEADMO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000270825542 532802649 /nfs/dbraw/zinc/80/26/49/532802649.db2.gz ZKVVGFHCJAHEIN-CYBMUJFWSA-N 1 1 396.329 2.383 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000552365827 532803723 /nfs/dbraw/zinc/80/37/23/532803723.db2.gz WGESQKSTLFNHHC-ZDUSSCGKSA-N 1 1 385.302 2.295 20 0 GEADMO CCC[N@H+](C)[C@H](CNC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000287895724 532812536 /nfs/dbraw/zinc/81/25/36/532812536.db2.gz ULHISLKXWJMRRD-MRXNPFEDSA-N 1 1 389.949 2.409 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000287895724 532812537 /nfs/dbraw/zinc/81/25/37/532812537.db2.gz ULHISLKXWJMRRD-MRXNPFEDSA-N 1 1 389.949 2.409 20 0 GEADMO CN1C(=O)NC2(CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C1=O ZINC000329815734 532811866 /nfs/dbraw/zinc/81/18/66/532811866.db2.gz NZIUAOMUTOMAAT-UHFFFAOYSA-N 1 1 393.241 2.311 20 0 GEADMO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1nccs1 ZINC000271787218 532812114 /nfs/dbraw/zinc/81/21/14/532812114.db2.gz HIDSISQTYKNVMQ-VXGBXAGGSA-N 1 1 382.511 2.071 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@H]21 ZINC000330159868 532815073 /nfs/dbraw/zinc/81/50/73/532815073.db2.gz RIIVRJJOFQMNKB-BXUZGUMPSA-N 1 1 377.432 2.273 20 0 GEADMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@@H]2C1 ZINC000272369060 532814703 /nfs/dbraw/zinc/81/47/03/532814703.db2.gz GHWMPDPRDNGKHP-GXSJLCMTSA-N 1 1 394.722 2.212 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@@H]2C1 ZINC000272369060 532814705 /nfs/dbraw/zinc/81/47/05/532814705.db2.gz GHWMPDPRDNGKHP-GXSJLCMTSA-N 1 1 394.722 2.212 20 0 GEADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CC[N@@H+](C)CC1 ZINC000272740166 532817964 /nfs/dbraw/zinc/81/79/64/532817964.db2.gz CQKHLECQTKYYBO-NSHDSACASA-N 1 1 376.400 2.360 20 0 GEADMO C[C@H](CNC(=O)C(=O)N(C)Cc1cc(Br)cs1)[N@@H+](C)C1CC1 ZINC000288097822 532817080 /nfs/dbraw/zinc/81/70/80/532817080.db2.gz WSTRRHCWOLLMPX-SNVBAGLBSA-N 1 1 388.331 2.068 20 0 GEADMO COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000272710443 532817243 /nfs/dbraw/zinc/81/72/43/532817243.db2.gz VIJDHNMREVXILS-STQMWFEESA-N 1 1 386.539 2.466 20 0 GEADMO CSc1nsc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000272811521 532818419 /nfs/dbraw/zinc/81/84/19/532818419.db2.gz SRVFJZRTBQOQMD-CYBMUJFWSA-N 1 1 379.511 2.148 20 0 GEADMO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000414139434 532819592 /nfs/dbraw/zinc/81/95/92/532819592.db2.gz IIOPPXGKTLMGOV-CYBMUJFWSA-N 1 1 377.710 2.398 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000330516533 532820660 /nfs/dbraw/zinc/82/06/60/532820660.db2.gz WPKMICCNBXPKSQ-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO CN(C(=O)[C@@H]1COc2ccc(Br)cc21)C(C)(C)C[NH+]1CCOCC1 ZINC000414043225 532818181 /nfs/dbraw/zinc/81/81/81/532818181.db2.gz PXCLLBIVBWCVLW-OAHLLOKOSA-N 1 1 397.313 2.494 20 0 GEADMO Cn1ncc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1Br ZINC000273234650 532821250 /nfs/dbraw/zinc/82/12/50/532821250.db2.gz PFRFVIARFISWPX-UHFFFAOYSA-N 1 1 377.286 2.361 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000330566124 532821245 /nfs/dbraw/zinc/82/12/45/532821245.db2.gz AONYZVVJIFACOC-STQMWFEESA-N 1 1 382.302 2.120 20 0 GEADMO Cn1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(C(F)(F)F)n1 ZINC000414360974 532822382 /nfs/dbraw/zinc/82/23/82/532822382.db2.gz OPIBOYTYXFMNST-UHFFFAOYSA-N 1 1 382.795 2.030 20 0 GEADMO COC[C@](C)(CCO)[NH2+]Cc1c(Br)cncc1Br ZINC000414358284 532822522 /nfs/dbraw/zinc/82/25/22/532822522.db2.gz BJDQIQGZYYTRQH-LBPRGKRZSA-N 1 1 382.096 2.484 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330636951 532823455 /nfs/dbraw/zinc/82/34/55/532823455.db2.gz AVNLBABSESVDQN-GYSYKLTISA-N 1 1 388.249 2.321 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330636951 532823459 /nfs/dbraw/zinc/82/34/59/532823459.db2.gz AVNLBABSESVDQN-GYSYKLTISA-N 1 1 388.249 2.321 20 0 GEADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(C(N)=O)no1 ZINC000273405242 532823648 /nfs/dbraw/zinc/82/36/48/532823648.db2.gz NFKPRKMXJWNKJA-SECBINFHSA-N 1 1 381.230 2.043 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414401261 532824916 /nfs/dbraw/zinc/82/49/16/532824916.db2.gz NNGVTCPPAFHBSB-UHFFFAOYSA-N 1 1 386.290 2.260 20 0 GEADMO CC[N@H+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000288408325 532826441 /nfs/dbraw/zinc/82/64/41/532826441.db2.gz LNKNNUSTUXTTDD-NSHDSACASA-N 1 1 388.331 2.135 20 0 GEADMO CS[C@H]1CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000273566671 532826840 /nfs/dbraw/zinc/82/68/40/532826840.db2.gz YNDACNJNSHRQBJ-CVEARBPZSA-N 1 1 382.551 2.050 20 0 GEADMO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000414442417 532827933 /nfs/dbraw/zinc/82/79/33/532827933.db2.gz XYQACSBYUGVVML-OAHLLOKOSA-N 1 1 382.482 2.181 20 0 GEADMO COc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(Br)c1O ZINC000273605297 532828131 /nfs/dbraw/zinc/82/81/31/532828131.db2.gz GYLKWHNFABECKK-UHFFFAOYSA-N 1 1 380.304 2.466 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2ccc(Br)cc2OC)CC1 ZINC000414473079 532830597 /nfs/dbraw/zinc/83/05/97/532830597.db2.gz PXSANMGAUSXNSG-UHFFFAOYSA-N 1 1 387.318 2.237 20 0 GEADMO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O 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C[C@@H](Cn1cncn1)[NH2+]Cc1ncc(Br)cc1Br ZINC000274815765 532857467 /nfs/dbraw/zinc/85/74/67/532857467.db2.gz FRBGCRJPQKZVEB-QMMMGPOBSA-N 1 1 375.068 2.376 20 0 GEADMO CCOC(=O)C1CCN(C(=O)CN(C)c2cc[nH+]cc2Br)CC1 ZINC000274845270 532857660 /nfs/dbraw/zinc/85/76/60/532857660.db2.gz WNMVNKZGHPEGME-UHFFFAOYSA-N 1 1 384.274 2.082 20 0 GEADMO COc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC(F)F ZINC000289556445 532858485 /nfs/dbraw/zinc/85/84/85/532858485.db2.gz RLOVHXXBYIHESV-CYBMUJFWSA-N 1 1 378.441 2.152 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC(F)F ZINC000289556445 532858487 /nfs/dbraw/zinc/85/84/87/532858487.db2.gz RLOVHXXBYIHESV-CYBMUJFWSA-N 1 1 378.441 2.152 20 0 GEADMO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000332617594 532858550 /nfs/dbraw/zinc/85/85/50/532858550.db2.gz BLUZJDQVVOPMJF-OCCSQVGLSA-N 1 1 383.290 2.419 20 0 GEADMO CC(C)(C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289580527 532859924 /nfs/dbraw/zinc/85/99/24/532859924.db2.gz 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Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)ccc1Br ZINC000275138398 532865806 /nfs/dbraw/zinc/86/58/06/532865806.db2.gz DAUUQIPOCUCTKH-ABAIWWIYSA-N 1 1 381.274 2.141 20 0 GEADMO CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000275164101 532866846 /nfs/dbraw/zinc/86/68/46/532866846.db2.gz VJGZZHLKDWCUCT-IAGOWNOFSA-N 1 1 382.551 2.132 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289889788 532866968 /nfs/dbraw/zinc/86/69/68/532866968.db2.gz MHOYGKNRDSPJOL-OAHLLOKOSA-N 1 1 384.318 2.083 20 0 GEADMO COc1ccc(Br)cc1C1(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000416208703 532867036 /nfs/dbraw/zinc/86/70/36/532867036.db2.gz HLVGHPLHDULFOI-CYBMUJFWSA-N 1 1 397.313 2.014 20 0 GEADMO COc1ccc(Br)cc1C1(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000416208703 532867038 /nfs/dbraw/zinc/86/70/38/532867038.db2.gz HLVGHPLHDULFOI-CYBMUJFWSA-N 1 1 397.313 2.014 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)C1 ZINC000289931643 532868341 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C[N@@H+](CC(=O)NCCSCc1ccccc1-c1nn[nH]n1)CC(C)(C)C ZINC000736784534 598395698 /nfs/dbraw/zinc/39/56/98/598395698.db2.gz UDMYLDINJCTALK-UHFFFAOYSA-N 1 1 376.530 2.194 20 0 GEADMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736141866 598404071 /nfs/dbraw/zinc/40/40/71/598404071.db2.gz KIWSITPHSRPXSF-NHYWBVRUSA-N 1 1 378.864 2.084 20 0 GEADMO COCC[N@H+]1CC[C@@H](Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000737007589 598469252 /nfs/dbraw/zinc/46/92/52/598469252.db2.gz NNSHIQQRMYENQN-CQSZACIVSA-N 1 1 392.467 2.109 20 0 GEADMO CN(CC[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736791834 598469727 /nfs/dbraw/zinc/46/97/27/598469727.db2.gz IIIWIGIVKUAAFZ-UHFFFAOYSA-N 1 1 379.468 2.264 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736855413 598497276 /nfs/dbraw/zinc/49/72/76/598497276.db2.gz GPMWDSAGCDTIMD-AWEZNQCLSA-N 1 1 396.451 2.110 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737146644 598524926 /nfs/dbraw/zinc/52/49/26/598524926.db2.gz INUVSWRGLVXLNO-GOSISDBHSA-N 1 1 392.463 2.329 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737146644 598524927 /nfs/dbraw/zinc/52/49/27/598524927.db2.gz INUVSWRGLVXLNO-GOSISDBHSA-N 1 1 392.463 2.329 20 0 GEADMO c1ccc(N2CCC[N@@H+](Cc3noc4c3CCCC4)CC2)c(-c2nn[nH]n2)c1 ZINC000738436091 598538490 /nfs/dbraw/zinc/53/84/90/598538490.db2.gz PDHLLSAKJRQGQP-UHFFFAOYSA-N 1 1 379.468 2.446 20 0 GEADMO c1ccc(N2CCC[N@H+](Cc3noc4c3CCCC4)CC2)c(-c2nn[nH]n2)c1 ZINC000738436091 598538492 /nfs/dbraw/zinc/53/84/92/598538492.db2.gz PDHLLSAKJRQGQP-UHFFFAOYSA-N 1 1 379.468 2.446 20 0 GEADMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000736961047 598554369 /nfs/dbraw/zinc/55/43/69/598554369.db2.gz JXMCPRRQQCEDEW-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736321660 598555239 /nfs/dbraw/zinc/55/52/39/598555239.db2.gz FRACSIQJRDRPFI-CQSZACIVSA-N 1 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C[C@H](C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000735513771 598624027 /nfs/dbraw/zinc/62/40/27/598624027.db2.gz LHXRNUTYDUZTML-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO C[C@H](C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000735513771 598624029 /nfs/dbraw/zinc/62/40/29/598624029.db2.gz LHXRNUTYDUZTML-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO CC(C)c1ocnc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735953296 598625754 /nfs/dbraw/zinc/62/57/54/598625754.db2.gz GEZNGSQVLOFWGZ-UHFFFAOYSA-N 1 1 395.467 2.326 20 0 GEADMO CC(C)c1ocnc1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735953296 598625756 /nfs/dbraw/zinc/62/57/56/598625756.db2.gz GEZNGSQVLOFWGZ-UHFFFAOYSA-N 1 1 395.467 2.326 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000736758880 598646604 /nfs/dbraw/zinc/64/66/04/598646604.db2.gz JKZPVZSTAORANH-KRWDZBQOSA-N 1 1 398.467 2.428 20 0 GEADMO O=C(CC[C@@H]1CCCCO1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824313 598682136 /nfs/dbraw/zinc/68/21/36/598682136.db2.gz PLUBRVBAXPGZBU-IBGZPJMESA-N 1 1 398.511 2.250 20 0 GEADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000737501906 598685501 /nfs/dbraw/zinc/68/55/01/598685501.db2.gz WBGIPLUFIPBIKL-HNNXBMFYSA-N 1 1 397.483 2.373 20 0 GEADMO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000736016769 598715156 /nfs/dbraw/zinc/71/51/56/598715156.db2.gz CPBQCTVEGQQOMM-OAHLLOKOSA-N 1 1 379.468 2.186 20 0 GEADMO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000736016767 598715179 /nfs/dbraw/zinc/71/51/79/598715179.db2.gz CPBQCTVEGQQOMM-HNNXBMFYSA-N 1 1 379.468 2.186 20 0 GEADMO CCCCCC[N@@H+](C)CC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736449572 598716994 /nfs/dbraw/zinc/71/69/94/598716994.db2.gz YWNZSWVJDQEBKC-UHFFFAOYSA-N 1 1 399.543 2.023 20 0 GEADMO COc1ccccc1C[N@@H+](CCO)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737149377 598717349 /nfs/dbraw/zinc/71/73/49/598717349.db2.gz 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C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736819098 598776098 /nfs/dbraw/zinc/77/60/98/598776098.db2.gz HXNSYYUQEKIURZ-KRWDZBQOSA-N 1 1 384.390 2.382 20 0 GEADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568951 598821261 /nfs/dbraw/zinc/82/12/61/598821261.db2.gz FFCAKKDMYVJENA-SFHVURJKSA-N 1 1 384.484 2.111 20 0 GEADMO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822230778 599306770 /nfs/dbraw/zinc/30/67/70/599306770.db2.gz QGOIYFVEMJDVPB-IBGZPJMESA-N 1 1 382.443 2.170 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737066448 599310131 /nfs/dbraw/zinc/31/01/31/599310131.db2.gz ODHWMQNKYSZGEF-OAHLLOKOSA-N 1 1 392.463 2.394 20 0 GEADMO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000822216115 599319334 /nfs/dbraw/zinc/31/93/34/599319334.db2.gz FODGBGMKWNHHPD-GOSISDBHSA-N 1 1 392.463 2.405 20 0 GEADMO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000822216115 599319337 /nfs/dbraw/zinc/31/93/37/599319337.db2.gz FODGBGMKWNHHPD-GOSISDBHSA-N 1 1 392.463 2.405 20 0 GEADMO CC[C@]1(C)CCC[N@@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820949532 599328718 /nfs/dbraw/zinc/32/87/18/599328718.db2.gz BXWHNVAGHJGKBS-HXUWFJFHSA-N 1 1 397.483 2.101 20 0 GEADMO O=C1C[C@@H]([NH+]2CCC(C3CCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299677 599334137 /nfs/dbraw/zinc/33/41/37/599334137.db2.gz BCPOFAUMKMPSGR-GOSISDBHSA-N 1 1 394.479 2.401 20 0 GEADMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000736199247 599338077 /nfs/dbraw/zinc/33/80/77/599338077.db2.gz WTUDIMZXSFFFNK-MRXNPFEDSA-N 1 1 380.500 2.221 20 0 GEADMO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@H+]1CCCC[C@@H]1C ZINC000820703464 599409957 /nfs/dbraw/zinc/40/99/57/599409957.db2.gz FTXBIPOJXQYZPX-QWHCGFSZSA-N 1 1 375.452 2.068 20 0 GEADMO COc1ccc(CNCc2ccccc2OCC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000821818067 599420272 /nfs/dbraw/zinc/42/02/72/599420272.db2.gz JWIIDECSFBZFAH-UHFFFAOYSA-N 1 1 382.468 2.106 20 0 GEADMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736234467 599477249 /nfs/dbraw/zinc/47/72/49/599477249.db2.gz JMGVOSQFTXOOCT-XHBKTUGNSA-N 1 1 380.427 2.410 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737742913 599478598 /nfs/dbraw/zinc/47/85/98/599478598.db2.gz RNYBGLWBAKKWHK-KBXCAEBGSA-N 1 1 380.427 2.097 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738389416 599479754 /nfs/dbraw/zinc/47/97/54/599479754.db2.gz WVDRLZFHOJTANY-QFBILLFUSA-N 1 1 397.454 2.310 20 0 GEADMO Cc1cccc(C)c1OC[C@@H](O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000822299678 599493722 /nfs/dbraw/zinc/49/37/22/599493722.db2.gz QVONRBVFZNGOMM-HNNXBMFYSA-N 1 1 390.447 2.305 20 0 GEADMO O[C@@H](C[NH+]1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000823682701 599532813 /nfs/dbraw/zinc/53/28/13/599532813.db2.gz UAZQXEKFWMARIW-KRWDZBQOSA-N 1 1 384.871 2.376 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821198773 599546260 /nfs/dbraw/zinc/54/62/60/599546260.db2.gz VUDGYIRDLCJGLO-KRWDZBQOSA-N 1 1 391.479 2.246 20 0 GEADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821198775 599546380 /nfs/dbraw/zinc/54/63/80/599546380.db2.gz VUDGYIRDLCJGLO-QGZVFWFLSA-N 1 1 391.479 2.246 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224823 599554900 /nfs/dbraw/zinc/55/49/00/599554900.db2.gz BDYHUOLLCRBYQW-CRAIPNDOSA-N 1 1 391.479 2.387 20 0 GEADMO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000736988514 599578452 /nfs/dbraw/zinc/57/84/52/599578452.db2.gz STECJLNIFHPKTA-ZDUSSCGKSA-N 1 1 389.504 2.134 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCCC4(CCOCC4)C3)o2)c1 ZINC000823737807 599578908 /nfs/dbraw/zinc/57/89/08/599578908.db2.gz KSNOZCLBFBAXAN-UHFFFAOYSA-N 1 1 381.440 2.309 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821599356 599582704 /nfs/dbraw/zinc/58/27/04/599582704.db2.gz PWWHOJKIDMFFBX-MRXNPFEDSA-N 1 1 382.472 2.223 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H](CCO)c1ccccc1 ZINC000821597642 599584902 /nfs/dbraw/zinc/58/49/02/599584902.db2.gz BSICRYTWAIDZFZ-HNNXBMFYSA-N 1 1 386.481 2.312 20 0 GEADMO O=C(CC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842875 599586630 /nfs/dbraw/zinc/58/66/30/599586630.db2.gz DOSJDUXBIXSCBW-LBPRGKRZSA-N 1 1 398.389 2.239 20 0 GEADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000820722785 599654844 /nfs/dbraw/zinc/65/48/44/599654844.db2.gz OLLMLFPODUDVCP-CQSZACIVSA-N 1 1 393.451 2.235 20 0 GEADMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)Oc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000820518561 599655051 /nfs/dbraw/zinc/65/50/51/599655051.db2.gz GQPDYLFQFBQXLK-UAGQMJEPSA-N 1 1 384.484 2.108 20 0 GEADMO CC(C)[C@@](C)(O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820015875 599684774 /nfs/dbraw/zinc/68/47/74/599684774.db2.gz HHOFZRVIWYEFOF-KRWDZBQOSA-N 1 1 378.383 2.257 20 0 GEADMO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000821649734 599691127 /nfs/dbraw/zinc/69/11/27/599691127.db2.gz CETJMWMJYUOVAV-FGTMMUONSA-N 1 1 384.484 2.028 20 0 GEADMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000819858047 599695786 /nfs/dbraw/zinc/69/57/86/599695786.db2.gz YSFMQANQPLGWDM-MRXNPFEDSA-N 1 1 391.479 2.100 20 0 GEADMO CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736454052 599963680 /nfs/dbraw/zinc/96/36/80/599963680.db2.gz DCFJFFFLGAEOHH-MRXNPFEDSA-N 1 1 375.513 2.442 20 0 GEADMO CCC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC000736961684 600322554 /nfs/dbraw/zinc/32/25/54/600322554.db2.gz WODDZLRLWIUOFX-OAQYLSRUSA-N 1 1 375.513 2.262 20 0 GEADMO O=C(CC[NH2+]Cc1ncc(I)s1)Nc1ccccn1 ZINC000552013922 651137826 /nfs/dbraw/zinc/13/78/26/651137826.db2.gz TWWLVTVZRDWJLC-UHFFFAOYSA-N 1 1 388.234 2.261 20 0 GEADMO COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737865132 600471680 /nfs/dbraw/zinc/47/16/80/600471680.db2.gz IWRANOXMNPYYPW-MSOLQXFVSA-N 1 1 392.496 2.083 20 0 GEADMO COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737865132 600471682 /nfs/dbraw/zinc/47/16/82/600471682.db2.gz IWRANOXMNPYYPW-MSOLQXFVSA-N 1 1 392.496 2.083 20 0 GEADMO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000824936373 607449977 /nfs/dbraw/zinc/44/99/77/607449977.db2.gz GUPQVAMBODKVJM-CABCVRRESA-N 1 1 383.500 2.275 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H](C)O)c1-c1nn[nH]n1 ZINC000822015300 607452573 /nfs/dbraw/zinc/45/25/73/607452573.db2.gz HAIOKTRTJLLIEL-LBPRGKRZSA-N 1 1 389.504 2.041 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H](C)O)c1-c1nn[nH]n1 ZINC000822015300 607452576 /nfs/dbraw/zinc/45/25/76/607452576.db2.gz HAIOKTRTJLLIEL-LBPRGKRZSA-N 1 1 389.504 2.041 20 0 GEADMO O=C([O-])c1ccsc1N1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000833336429 600795411 /nfs/dbraw/zinc/79/54/11/600795411.db2.gz QKLVABYKDNWHSW-INIZCTEOSA-N 1 1 377.510 2.359 20 0 GEADMO CCc1nnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821521379 607470623 /nfs/dbraw/zinc/47/06/23/607470623.db2.gz FHMMDHMWPWEXKM-SUMWQHHRSA-N 1 1 382.516 2.235 20 0 GEADMO CC(C)[NH+]1CCC(N2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824297401 607472631 /nfs/dbraw/zinc/47/26/31/607472631.db2.gz VTTKQIVYCITTDB-KRWDZBQOSA-N 1 1 383.544 2.418 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](CO)C(C)(C)C ZINC000825914799 607473006 /nfs/dbraw/zinc/47/30/06/607473006.db2.gz OLOJOLMQNJWGKG-CQSZACIVSA-N 1 1 380.880 2.188 20 0 GEADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232909 607490421 /nfs/dbraw/zinc/49/04/21/607490421.db2.gz LHVULOUKMXHKNF-GDBMZVCRSA-N 1 1 386.500 2.392 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000820092455 607506698 /nfs/dbraw/zinc/50/66/98/607506698.db2.gz MEVORYRUDJBQSE-CYBMUJFWSA-N 1 1 375.452 2.495 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000821761959 607507428 /nfs/dbraw/zinc/50/74/28/607507428.db2.gz HQDIQGAKVDIDKB-CQSZACIVSA-N 1 1 387.488 2.365 20 0 GEADMO FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC000826368675 607508481 /nfs/dbraw/zinc/50/84/81/607508481.db2.gz YIRAXCJJAJMDLI-NSHDSACASA-N 1 1 378.362 2.383 20 0 GEADMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)c1 ZINC000826181351 607512723 /nfs/dbraw/zinc/51/27/23/607512723.db2.gz VWEFXSZBAIPQTF-UHFFFAOYSA-N 1 1 384.440 2.180 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826182619 607524733 /nfs/dbraw/zinc/52/47/33/607524733.db2.gz PHMNBQJAMZPQTP-CYBMUJFWSA-N 1 1 388.472 2.222 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410255 607528028 /nfs/dbraw/zinc/52/80/28/607528028.db2.gz HXWZJWWJDCDIJZ-STQMWFEESA-N 1 1 390.875 2.207 20 0 GEADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000827951105 601842069 /nfs/dbraw/zinc/84/20/69/601842069.db2.gz VATJPOGTTOHUAI-SFHVURJKSA-N 1 1 387.524 2.469 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000826000719 601844356 /nfs/dbraw/zinc/84/43/56/601844356.db2.gz QIQFBYHQMBOJHA-YLJYHZDGSA-N 1 1 387.524 2.342 20 0 GEADMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccnc(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000824994912 607548396 /nfs/dbraw/zinc/54/83/96/607548396.db2.gz XEKBZVCHJAPLJK-HUUCEWRRSA-N 1 1 379.468 2.483 20 0 GEADMO C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739712264 602222721 /nfs/dbraw/zinc/22/27/21/602222721.db2.gz UUHMWDZPSZSGDK-SLFFLAALSA-N 1 1 375.513 2.334 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739712264 602222724 /nfs/dbraw/zinc/22/27/24/602222724.db2.gz UUHMWDZPSZSGDK-SLFFLAALSA-N 1 1 375.513 2.334 20 0 GEADMO C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739712264 602222726 /nfs/dbraw/zinc/22/27/26/602222726.db2.gz UUHMWDZPSZSGDK-SLFFLAALSA-N 1 1 375.513 2.334 20 0 GEADMO C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739712264 602222729 /nfs/dbraw/zinc/22/27/29/602222729.db2.gz UUHMWDZPSZSGDK-SLFFLAALSA-N 1 1 375.513 2.334 20 0 GEADMO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NC[C@@H]1CCCn2cc[nH+]c21 ZINC000826375313 607558839 /nfs/dbraw/zinc/55/88/39/607558839.db2.gz IHQJJZWWTOPQGH-JTQLQIEISA-N 1 1 382.378 2.301 20 0 GEADMO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@H+]1CCCC[C@H]1C ZINC000824938563 607587085 /nfs/dbraw/zinc/58/70/85/607587085.db2.gz VGPVUZPWCCZPCN-VXGBXAGGSA-N 1 1 398.920 2.061 20 0 GEADMO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826467160 607607520 /nfs/dbraw/zinc/60/75/20/607607520.db2.gz JPCDDHPXJYYLDG-KRWDZBQOSA-N 1 1 378.436 2.217 20 0 GEADMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(-c2nn[nH]n2)c1C ZINC000826341706 607643127 /nfs/dbraw/zinc/64/31/27/607643127.db2.gz OEABJVSENOPWFU-LLVKDONJSA-N 1 1 384.440 2.284 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1OC)C(C)C ZINC000444164413 649938501 /nfs/dbraw/zinc/93/85/01/649938501.db2.gz FALFTEUTHSYJOT-UHFFFAOYSA-N 1 1 379.320 2.466 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826034455 607650794 /nfs/dbraw/zinc/65/07/94/607650794.db2.gz RDLNSDCJLJCADU-LBPRGKRZSA-N 1 1 398.920 2.015 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000444163483 649938588 /nfs/dbraw/zinc/93/85/88/649938588.db2.gz BFQHXXLBLKZWFK-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000444163483 649938595 /nfs/dbraw/zinc/93/85/95/649938595.db2.gz BFQHXXLBLKZWFK-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(Br)cc2C)C1 ZINC000444177571 649939283 /nfs/dbraw/zinc/93/92/83/649939283.db2.gz XWCXGXNAWOBBRJ-CYBMUJFWSA-N 1 1 391.331 2.065 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(Br)cc2C)C1 ZINC000444177571 649939293 /nfs/dbraw/zinc/93/92/93/649939293.db2.gz XWCXGXNAWOBBRJ-CYBMUJFWSA-N 1 1 391.331 2.065 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000832757755 604062065 /nfs/dbraw/zinc/06/20/65/604062065.db2.gz NPRXMDWNJYRIHC-UFYCRDLUSA-N 1 1 375.513 2.034 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000832757755 604062067 /nfs/dbraw/zinc/06/20/67/604062067.db2.gz NPRXMDWNJYRIHC-UFYCRDLUSA-N 1 1 375.513 2.034 20 0 GEADMO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(C)c1OCC(=O)[O-] ZINC000833745643 604771324 /nfs/dbraw/zinc/77/13/24/604771324.db2.gz QTNHOHGWZVCKTI-GUDVDZBRSA-N 1 1 376.497 2.450 20 0 GEADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCC(=O)[O-])C[C@@H]1C ZINC000833496143 605045082 /nfs/dbraw/zinc/04/50/82/605045082.db2.gz UFYUFPMKXJOALJ-KRWDZBQOSA-N 1 1 390.528 2.217 20 0 GEADMO CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833496143 605045085 /nfs/dbraw/zinc/04/50/85/605045085.db2.gz UFYUFPMKXJOALJ-KRWDZBQOSA-N 1 1 390.528 2.217 20 0 GEADMO CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833496143 605045087 /nfs/dbraw/zinc/04/50/87/605045087.db2.gz UFYUFPMKXJOALJ-KRWDZBQOSA-N 1 1 390.528 2.217 20 0 GEADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000833625545 605135817 /nfs/dbraw/zinc/13/58/17/605135817.db2.gz MZCJNTZWCRVGDA-HKUYNNGSSA-N 1 1 388.512 2.014 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000833618960 605205193 /nfs/dbraw/zinc/20/51/93/605205193.db2.gz HNHAJQLCQVNXHU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000833618960 605205197 /nfs/dbraw/zinc/20/51/97/605205197.db2.gz HNHAJQLCQVNXHU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000833618960 605205200 /nfs/dbraw/zinc/20/52/00/605205200.db2.gz HNHAJQLCQVNXHU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)C[C@@H](C)O1 ZINC000824983962 607741231 /nfs/dbraw/zinc/74/12/31/607741231.db2.gz DXCFHVVMGWHPAC-CHWSQXEVSA-N 1 1 381.440 2.056 20 0 GEADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825985828 607742837 /nfs/dbraw/zinc/74/28/37/607742837.db2.gz CAPKBVIZMSREDA-UHFFFAOYSA-N 1 1 391.435 2.350 20 0 GEADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825985828 607742838 /nfs/dbraw/zinc/74/28/38/607742838.db2.gz CAPKBVIZMSREDA-UHFFFAOYSA-N 1 1 391.435 2.350 20 0 GEADMO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826410741 607749426 /nfs/dbraw/zinc/74/94/26/607749426.db2.gz 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LVWZKAMYPJISGI-TXEJJXNPSA-N 1 1 398.920 2.061 20 0 GEADMO Cc1c(Cl)cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1-c1nn[nH]n1 ZINC000826237691 609545203 /nfs/dbraw/zinc/54/52/03/609545203.db2.gz IRNKUAAMMRKQJC-UHFFFAOYSA-N 1 1 385.859 2.251 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826034651 609552314 /nfs/dbraw/zinc/55/23/14/609552314.db2.gz UOYDRRPDYSOVKN-CYBMUJFWSA-N 1 1 398.920 2.015 20 0 GEADMO Cc1ccnc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1-c1nn[nH]n1 ZINC000826312127 609558572 /nfs/dbraw/zinc/55/85/72/609558572.db2.gz WNNLXVWQGGJDIQ-NVXWUHKLSA-N 1 1 379.468 2.272 20 0 GEADMO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCC[C@@H]3CCOC3)c2c1 ZINC000826370044 609603753 /nfs/dbraw/zinc/60/37/53/609603753.db2.gz AYGVLTROEXOVTF-SNVBAGLBSA-N 1 1 376.367 2.277 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc(I)cc32)CC[NH2+]1 ZINC000447516808 650007197 /nfs/dbraw/zinc/00/71/97/650007197.db2.gz ICWDLQBQDBDFJW-PSASIEDQSA-N 1 1 384.221 2.038 20 0 GEADMO 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COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000456131301 650331730 /nfs/dbraw/zinc/33/17/30/650331730.db2.gz QTIQNXHBUSNZAK-GJZGRUSLSA-N 1 1 399.285 2.224 20 0 GEADMO C[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@H](C)[N@H+]1CCO ZINC000456223886 650334421 /nfs/dbraw/zinc/33/44/21/650334421.db2.gz KUDRBRCQKNDOCF-TXEJJXNPSA-N 1 1 377.432 2.106 20 0 GEADMO C[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@H](C)[N@@H+]1CCO ZINC000456223886 650334425 /nfs/dbraw/zinc/33/44/25/650334425.db2.gz KUDRBRCQKNDOCF-TXEJJXNPSA-N 1 1 377.432 2.106 20 0 GEADMO CC(=O)N(C)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456376475 650338358 /nfs/dbraw/zinc/33/83/58/650338358.db2.gz SPLJIKYADMGJJW-LBPRGKRZSA-N 1 1 397.317 2.006 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456247400 650335352 /nfs/dbraw/zinc/33/53/52/650335352.db2.gz PONZENSHSZQEPS-BETUJISGSA-N 1 1 385.302 2.293 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456247400 650335355 /nfs/dbraw/zinc/33/53/55/650335355.db2.gz PONZENSHSZQEPS-BETUJISGSA-N 1 1 385.302 2.293 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cc(F)c[nH]2)CC1 ZINC000456594875 650350878 /nfs/dbraw/zinc/35/08/78/650350878.db2.gz RPLGKXAQBWZZFS-UHFFFAOYSA-N 1 1 382.237 2.315 20 0 GEADMO COCCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456597997 650351172 /nfs/dbraw/zinc/35/11/72/650351172.db2.gz VELWHIDZUWZDOG-UHFFFAOYSA-N 1 1 385.306 2.351 20 0 GEADMO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000456707689 650355932 /nfs/dbraw/zinc/35/59/32/650355932.db2.gz DBBTZVVPOUSSGT-IVMMDQJWSA-N 1 1 383.330 2.222 20 0 GEADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000456876351 650365181 /nfs/dbraw/zinc/36/51/81/650365181.db2.gz GRFCTCWKVSHDBN-UHFFFAOYSA-N 1 1 399.333 2.004 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000500509004 650379844 /nfs/dbraw/zinc/37/98/44/650379844.db2.gz RJLAQZLUKAHDGS-QGZVFWFLSA-N 1 1 385.961 2.439 20 0 GEADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)co1 ZINC000457499186 650380163 /nfs/dbraw/zinc/38/01/63/650380163.db2.gz HELGFAPUEXXJFV-UHFFFAOYSA-N 1 1 393.285 2.379 20 0 GEADMO O=C(NCc1csc(Br)c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457799356 650385018 /nfs/dbraw/zinc/38/50/18/650385018.db2.gz IIIZMHJYDJJHCO-GFCCVEGCSA-N 1 1 376.320 2.157 20 0 GEADMO O=C(NCc1cc(Br)cs1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457817590 650385376 /nfs/dbraw/zinc/38/53/76/650385376.db2.gz MKDFENBUWCGNKG-LBPRGKRZSA-N 1 1 376.320 2.157 20 0 GEADMO O=C(NCc1csc(Br)c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457820578 650385693 /nfs/dbraw/zinc/38/56/93/650385693.db2.gz XHIMAMJMJIHRQF-GFCCVEGCSA-N 1 1 376.320 2.157 20 0 GEADMO Cc1c[nH+]cn1C1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC000500992579 650385906 /nfs/dbraw/zinc/38/59/06/650385906.db2.gz YXYYGGZMZNNSOA-UHFFFAOYSA-N 1 1 399.236 2.007 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457878686 650387933 /nfs/dbraw/zinc/38/79/33/650387933.db2.gz PDOJMRKTCRRNMF-KGLIPLIRSA-N 1 1 384.318 2.088 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457878686 650387936 /nfs/dbraw/zinc/38/79/36/650387936.db2.gz PDOJMRKTCRRNMF-KGLIPLIRSA-N 1 1 384.318 2.088 20 0 GEADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000457874743 650388037 /nfs/dbraw/zinc/38/80/37/650388037.db2.gz MNSCQCCJOUONCW-CQSZACIVSA-N 1 1 380.286 2.230 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@H](C)[N@@H+]1CCO ZINC000457941541 650389967 /nfs/dbraw/zinc/38/99/67/650389967.db2.gz WOGOUJKSEFGSRL-TXEJJXNPSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458002959 650391986 /nfs/dbraw/zinc/39/19/86/650391986.db2.gz XBVGTZWATYFEDX-UONOGXRCSA-N 1 1 384.318 2.088 20 0 GEADMO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458002959 650391989 /nfs/dbraw/zinc/39/19/89/650391989.db2.gz XBVGTZWATYFEDX-UONOGXRCSA-N 1 1 384.318 2.088 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000502007589 650400223 /nfs/dbraw/zinc/40/02/23/650400223.db2.gz MFGWPCCGJOKCJJ-UONOGXRCSA-N 1 1 388.339 2.039 20 0 GEADMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000502044700 650400460 /nfs/dbraw/zinc/40/04/60/650400460.db2.gz OGMQVHDXAZWGKU-LBPRGKRZSA-N 1 1 393.962 2.061 20 0 GEADMO CC1(CO)CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000458579727 650405747 /nfs/dbraw/zinc/40/57/47/650405747.db2.gz RKNFYKHJXXOFHM-UHFFFAOYSA-N 1 1 396.329 2.437 20 0 GEADMO Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1Br ZINC000458675069 650407017 /nfs/dbraw/zinc/40/70/17/650407017.db2.gz ATSWTNMPAYDEMX-OAHLLOKOSA-N 1 1 384.318 2.404 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000502694008 650410185 /nfs/dbraw/zinc/41/01/85/650410185.db2.gz LEBQKDVCDYHEID-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cc(F)ccc3Br)[C@H]2C1 ZINC000502714371 650410620 /nfs/dbraw/zinc/41/06/20/650410620.db2.gz DYCVPQIKZWGLHR-JKSUJKDBSA-N 1 1 385.277 2.452 20 0 GEADMO C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502975622 650413352 /nfs/dbraw/zinc/41/33/52/650413352.db2.gz VYKALPUTAZBBPE-OAHLLOKOSA-N 1 1 381.318 2.375 20 0 GEADMO COCC[N@H+]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503152100 650414852 /nfs/dbraw/zinc/41/48/52/650414852.db2.gz MOTHHEHTROBYLV-UHFFFAOYSA-N 1 1 391.256 2.451 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1Br ZINC000503252155 650416614 /nfs/dbraw/zinc/41/66/14/650416614.db2.gz BDRUKSBWBQQUGI-UHFFFAOYSA-N 1 1 380.286 2.393 20 0 GEADMO C[C@@H]1CN(Cc2ccc(I)cc2Cl)CC[N@H+]1CCO ZINC000503560755 650419912 /nfs/dbraw/zinc/41/99/12/650419912.db2.gz ZWRHWTYEPYKYNB-LLVKDONJSA-N 1 1 394.684 2.443 20 0 GEADMO C[N@H+](Cc1cc(Cl)cc(Br)c1)C[C@H](O)CN1CCOCC1 ZINC000459338107 650422922 /nfs/dbraw/zinc/42/29/22/650422922.db2.gz FVBRPXXPSDYDPR-HNNXBMFYSA-N 1 1 377.710 2.227 20 0 GEADMO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000459395015 650423771 /nfs/dbraw/zinc/42/37/71/650423771.db2.gz 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ZINC000459626506 650429602 /nfs/dbraw/zinc/42/96/02/650429602.db2.gz CMKZMLIHSFGOQO-QGZVFWFLSA-N 1 1 378.270 2.225 20 0 GEADMO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccnn2C)c(Br)c1 ZINC000459752716 650432297 /nfs/dbraw/zinc/43/22/97/650432297.db2.gz LPSJPEQBQOZVCS-SMDDNHRTSA-N 1 1 381.274 2.141 20 0 GEADMO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000459795288 650432498 /nfs/dbraw/zinc/43/24/98/650432498.db2.gz OAMUAAOLOKJUTC-KBPBESRZSA-N 1 1 383.920 2.313 20 0 GEADMO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000459795288 650432502 /nfs/dbraw/zinc/43/25/02/650432502.db2.gz OAMUAAOLOKJUTC-KBPBESRZSA-N 1 1 383.920 2.313 20 0 GEADMO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000459859269 650434229 /nfs/dbraw/zinc/43/42/29/650434229.db2.gz WWNJZUSTTGDZNU-MRXNPFEDSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000459859269 650434231 /nfs/dbraw/zinc/43/42/31/650434231.db2.gz WWNJZUSTTGDZNU-MRXNPFEDSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000459929684 650435449 /nfs/dbraw/zinc/43/54/49/650435449.db2.gz RMYFLMWSCCHYAJ-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000459929684 650435451 /nfs/dbraw/zinc/43/54/51/650435451.db2.gz RMYFLMWSCCHYAJ-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505537649 650438709 /nfs/dbraw/zinc/43/87/09/650438709.db2.gz CVFFPVLOMDGUEE-QGZVFWFLSA-N 1 1 381.318 2.468 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)CCn2cc(Br)cn2)C1 ZINC000460249624 650440637 /nfs/dbraw/zinc/44/06/37/650440637.db2.gz FTTKXVNOOJHJBN-AWEZNQCLSA-N 1 1 386.338 2.407 20 0 GEADMO CN(C)c1ncc(C[N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000506055260 650442898 /nfs/dbraw/zinc/44/28/98/650442898.db2.gz BPQMEMNWCKYVDP-OAHLLOKOSA-N 1 1 395.301 2.177 20 0 GEADMO CN(C)c1ncc(C[N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000506055260 650442899 /nfs/dbraw/zinc/44/28/99/650442899.db2.gz BPQMEMNWCKYVDP-OAHLLOKOSA-N 1 1 395.301 2.177 20 0 GEADMO Cc1ccc(S(=O)(=O)NCCNc2cc[nH+]c(N3CCCCC3)n2)s1 ZINC000544700980 650444663 /nfs/dbraw/zinc/44/46/63/650444663.db2.gz GUGYYWPWOSZAAS-UHFFFAOYSA-N 1 1 381.527 2.227 20 0 GEADMO C[NH+](C)[C@H](C(=O)Nc1cccc(CS(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000507064686 650454565 /nfs/dbraw/zinc/45/45/65/650454565.db2.gz NIABNYZRAMWLSA-INIZCTEOSA-N 1 1 381.885 2.370 20 0 GEADMO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2cnccn2)c1 ZINC000507267616 650457842 /nfs/dbraw/zinc/45/78/42/650457842.db2.gz YQWCGJGRSLGVQJ-GFCCVEGCSA-N 1 1 399.314 2.177 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)[C@@H](C)C1 ZINC000507395211 650459693 /nfs/dbraw/zinc/45/96/93/650459693.db2.gz XTPUQNWTUNCKSO-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)[C@@H](C)C1 ZINC000507395211 650459697 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C[C@@H]1CN(CCN(C)C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662533115 652466427 /nfs/dbraw/zinc/46/64/27/652466427.db2.gz ZTMUAXPKRCJDEA-ZENOOKHLSA-N 1 1 384.318 2.017 20 0 GEADMO CCO[C@@H]1C[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H]1OC ZINC000662541231 652466785 /nfs/dbraw/zinc/46/67/85/652466785.db2.gz DWQJQSWASFBGSF-LNLATYFQSA-N 1 1 375.288 2.036 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000582920874 652467103 /nfs/dbraw/zinc/46/71/03/652467103.db2.gz ZZJSVILBDRMFHQ-UHFFFAOYSA-N 1 1 398.941 2.419 20 0 GEADMO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000628679455 652467677 /nfs/dbraw/zinc/46/76/77/652467677.db2.gz UGJSHXZEARYHPN-NJAPINKUSA-N 1 1 381.314 2.125 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000582958775 652468511 /nfs/dbraw/zinc/46/85/11/652468511.db2.gz FUHRYIRUKAALBA-CYBMUJFWSA-N 1 1 385.917 2.438 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000582958775 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GEADMO COC(=O)C1(CS(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000583296595 652480304 /nfs/dbraw/zinc/48/03/04/652480304.db2.gz HJZVEVHIDVPWBY-OAHLLOKOSA-N 1 1 388.917 2.205 20 0 GEADMO CCn1nccc1C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000663350148 652494696 /nfs/dbraw/zinc/49/46/96/652494696.db2.gz ZTYGQSCVPPORIG-LBPRGKRZSA-N 1 1 395.301 2.469 20 0 GEADMO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000663369709 652495504 /nfs/dbraw/zinc/49/55/04/652495504.db2.gz HIYLDGUHECFLDM-MJGOQNOKSA-N 1 1 396.373 2.415 20 0 GEADMO O=C(CCOc1ccccc1Br)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583774490 652496679 /nfs/dbraw/zinc/49/66/79/652496679.db2.gz STGLWHAVRNZMPT-UHFFFAOYSA-N 1 1 379.258 2.290 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)C(F)(F)c2nccs2)c2cccs2)CC1 ZINC000756411263 652498140 /nfs/dbraw/zinc/49/81/40/652498140.db2.gz CDUUDIVCSHCPTH-LBPRGKRZSA-N 1 1 386.493 2.401 20 0 GEADMO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)CC1(O)CCOCC1 ZINC000630051085 652501885 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GEADMO O[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)c1cc2ccccc2s1 ZINC000757539477 652517958 /nfs/dbraw/zinc/51/79/58/652517958.db2.gz DKOGRZOYVZYKFQ-HNNXBMFYSA-N 1 1 379.551 2.121 20 0 GEADMO COCCc1ncc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)s1 ZINC000631049022 652519104 /nfs/dbraw/zinc/51/91/04/652519104.db2.gz QLHYCRPYNHIIEE-UHFFFAOYSA-N 1 1 383.539 2.309 20 0 GEADMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccncc2Br)s1 ZINC000631099009 652519865 /nfs/dbraw/zinc/51/98/65/652519865.db2.gz UDXYLGKAWFEVGE-UHFFFAOYSA-N 1 1 390.328 2.282 20 0 GEADMO C[C@H](CCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000664201120 652523340 /nfs/dbraw/zinc/52/33/40/652523340.db2.gz IQVSHRAAPIQVQB-LLVKDONJSA-N 1 1 395.305 2.374 20 0 GEADMO C[C@H](CCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000664201120 652523343 /nfs/dbraw/zinc/52/33/43/652523343.db2.gz IQVSHRAAPIQVQB-LLVKDONJSA-N 1 1 395.305 2.374 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=S)NC[C@H]2CCCCO2)c2cccs2)CC1 ZINC000758182062 652533060 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CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c(F)cncc1Br ZINC000632062750 652547755 /nfs/dbraw/zinc/54/77/55/652547755.db2.gz ITGDAHJUPMSQLP-UHFFFAOYSA-N 1 1 388.281 2.414 20 0 GEADMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCNC(=O)c1ccc(Br)cn1 ZINC000665235976 652548848 /nfs/dbraw/zinc/54/88/48/652548848.db2.gz DSKDUUJRPLSJKB-DZGCQCFKSA-N 1 1 383.334 2.474 20 0 GEADMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236614 652549386 /nfs/dbraw/zinc/54/93/86/652549386.db2.gz QTVKBJBZEAGQRS-GUYCJALGSA-N 1 1 391.313 2.122 20 0 GEADMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000589230851 652562331 /nfs/dbraw/zinc/56/23/31/652562331.db2.gz VHKRQJVCGLYJQB-RYUDHWBXSA-N 1 1 396.285 2.139 20 0 GEADMO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(Br)c1 ZINC000589236211 652563296 /nfs/dbraw/zinc/56/32/96/652563296.db2.gz BNCFEOPLQGDJAN-GFCCVEGCSA-N 1 1 398.301 2.243 20 0 GEADMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000759229144 652566496 /nfs/dbraw/zinc/56/64/96/652566496.db2.gz LBFIRLIRMPPVJH-GFCCVEGCSA-N 1 1 384.325 2.488 20 0 GEADMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000759229144 652566498 /nfs/dbraw/zinc/56/64/98/652566498.db2.gz LBFIRLIRMPPVJH-GFCCVEGCSA-N 1 1 384.325 2.488 20 0 GEADMO CC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)N1CCCC1 ZINC000666220780 652569385 /nfs/dbraw/zinc/56/93/85/652569385.db2.gz NQZKJFQUEOZTQQ-CYBMUJFWSA-N 1 1 390.347 2.061 20 0 GEADMO COc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(I)c1 ZINC000590045845 652573408 /nfs/dbraw/zinc/57/34/08/652573408.db2.gz XXOVMJVTGHXLRF-QMTHXVAHSA-N 1 1 386.233 2.076 20 0 GEADMO O=C(c1ccc2cncc(Br)c2n1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000632768002 652578941 /nfs/dbraw/zinc/57/89/41/652578941.db2.gz QZQDQENUFLGDOM-UHFFFAOYSA-N 1 1 387.241 2.078 20 0 GEADMO Cc1cc(Br)c(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)s1 ZINC000666638915 652581838 /nfs/dbraw/zinc/58/18/38/652581838.db2.gz QRHLHRINJOXFRM-GFCCVEGCSA-N 1 1 390.347 2.465 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666610361 652581860 /nfs/dbraw/zinc/58/18/60/652581860.db2.gz XJIYJPMCXBZTLR-QWRGUYRKSA-N 1 1 379.258 2.388 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)s1 ZINC000666639434 652582254 /nfs/dbraw/zinc/58/22/54/652582254.db2.gz DTENWZYVSQGKRB-WDEREUQCSA-N 1 1 390.347 2.416 20 0 GEADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2c(Br)cnn2C)C1 ZINC000632898653 652582835 /nfs/dbraw/zinc/58/28/35/652582835.db2.gz MNSYJVSXQNQYCD-ZDUSSCGKSA-N 1 1 386.338 2.494 20 0 GEADMO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000666695446 652583337 /nfs/dbraw/zinc/58/33/37/652583337.db2.gz BCWDRFQNKLQIBH-CYBMUJFWSA-N 1 1 385.306 2.390 20 0 GEADMO COCC[N@H+]1CCC[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000592103652 652585741 /nfs/dbraw/zinc/58/57/41/652585741.db2.gz UMTSQTPNQUJHDI-MRXNPFEDSA-N 1 1 395.297 2.452 20 0 GEADMO CN(Cc1ccc(Br)cc1F)C(=O)NCC[N@H+]1CCCOCC1 ZINC000633266523 652590477 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GEADMO COC(=O)c1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788625119 653761213 /nfs/dbraw/zinc/76/12/13/653761213.db2.gz ZCGVWTORPWUTAC-NSHDSACASA-N 1 1 392.930 2.354 20 0 GEADMO CS[C@H]1CN(S(=O)(=O)c2ccc(C(C)=O)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000882081832 653761372 /nfs/dbraw/zinc/76/13/72/653761372.db2.gz JRMRGGZSVCUAHW-SJORKVTESA-N 1 1 386.514 2.229 20 0 GEADMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc2nnc(Br)n2n1 ZINC000882113745 653763148 /nfs/dbraw/zinc/76/31/48/653763148.db2.gz MFKUFBYSVXITDX-UHFFFAOYSA-N 1 1 390.245 2.170 20 0 GEADMO COc1ncc(Br)cc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000865429076 653765175 /nfs/dbraw/zinc/76/51/75/653765175.db2.gz HZLHSNTUYINGGA-AWEZNQCLSA-N 1 1 381.274 2.209 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@@H]1C ZINC000882144477 653765727 /nfs/dbraw/zinc/76/57/27/653765727.db2.gz FAUQGOOLFFEHHG-VHSXEESVSA-N 1 1 397.239 2.487 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@@H]1C ZINC000882144477 653765731 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ZINC000921764591 654319528 /nfs/dbraw/zinc/31/95/28/654319528.db2.gz LZCRCLVWWCZPMX-HUUCEWRRSA-N 1 1 379.302 2.145 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000853787519 654321115 /nfs/dbraw/zinc/32/11/15/654321115.db2.gz YHMOABOGHAWZDG-IUODEOHRSA-N 1 1 382.302 2.145 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851343 654325482 /nfs/dbraw/zinc/32/54/82/654325482.db2.gz WYHKGFHMDWZZJR-MLGOLLRUSA-N 1 1 394.313 2.145 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC2SCCS2)c1 ZINC000853862076 654326669 /nfs/dbraw/zinc/32/66/69/654326669.db2.gz LHFXVEWRKQPITD-CQSZACIVSA-N 1 1 380.539 2.064 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC2SCCS2)c1 ZINC000853862076 654326673 /nfs/dbraw/zinc/32/66/73/654326673.db2.gz LHFXVEWRKQPITD-CQSZACIVSA-N 1 1 380.539 2.064 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)NCC1SCCS1 ZINC000853974475 654334249 /nfs/dbraw/zinc/33/42/49/654334249.db2.gz GVJRNBCXPUTCPK-MRXNPFEDSA-N 1 1 381.567 2.249 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000892215575 654334251 /nfs/dbraw/zinc/33/42/51/654334251.db2.gz YGNKALQLIHWGJE-IUODEOHRSA-N 1 1 395.301 2.123 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)c(C(F)F)c1 ZINC000921911179 654340814 /nfs/dbraw/zinc/34/08/14/654340814.db2.gz IKZSPCMEDPKNSY-LBPRGKRZSA-N 1 1 378.416 2.295 20 0 GEADMO O=S(=O)(Cc1ccc(F)cc1Cl)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921912577 654341400 /nfs/dbraw/zinc/34/14/00/654341400.db2.gz TUWIWNIOCQNEBQ-HNNXBMFYSA-N 1 1 376.881 2.152 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)[C@H]2C1 ZINC000892365090 654343086 /nfs/dbraw/zinc/34/30/86/654343086.db2.gz NKKJLRINVRAGJG-OCCSQVGLSA-N 1 1 396.285 2.066 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)nc12 ZINC000921959929 654347607 /nfs/dbraw/zinc/34/76/07/654347607.db2.gz KZZQDURRMQJRSO-BXUZGUMPSA-N 1 1 380.290 2.297 20 0 GEADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cnc(Br)s1 ZINC000854355661 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CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@@H]1C ZINC000835173087 654368362 /nfs/dbraw/zinc/36/83/62/654368362.db2.gz UHCURGYBLNXYQH-STQMWFEESA-N 1 1 397.317 2.422 20 0 GEADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)CCOCCO ZINC000922119719 654369512 /nfs/dbraw/zinc/36/95/12/654369512.db2.gz WOXUMQIUKKXGRY-HOTGVXAUSA-N 1 1 375.296 2.154 20 0 GEADMO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)CCOCCO ZINC000922119721 654369532 /nfs/dbraw/zinc/36/95/32/654369532.db2.gz WOXUMQIUKKXGRY-HZPDHXFCSA-N 1 1 375.296 2.154 20 0 GEADMO CN1CCN(C(=O)NCCCc2cccc(Br)c2)CC[N@@H+](C)CC1 ZINC000892912963 654370191 /nfs/dbraw/zinc/37/01/91/654370191.db2.gz ZSQBUKGWLIXGGO-UHFFFAOYSA-N 1 1 397.361 2.271 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000922162529 654372657 /nfs/dbraw/zinc/37/26/57/654372657.db2.gz OHRKTIBJLGKHOI-HOTGVXAUSA-N 1 1 382.302 2.227 20 0 GEADMO CCn1c(CNC(=O)NC[C@H]2CC[N@H+]2C)nc2cc(Br)ccc21 ZINC000922180826 654373922 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CC[C@H]1C[N@H+](CC)CCN1C(=O)c1csc(I)n1 ZINC000854846103 654385414 /nfs/dbraw/zinc/38/54/14/654385414.db2.gz RPZXBCQUTKYKMT-VIFPVBQESA-N 1 1 379.267 2.304 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1csc(I)n1 ZINC000854846103 654385416 /nfs/dbraw/zinc/38/54/16/654385416.db2.gz RPZXBCQUTKYKMT-VIFPVBQESA-N 1 1 379.267 2.304 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1F ZINC000872664017 654387352 /nfs/dbraw/zinc/38/73/52/654387352.db2.gz HHYAUTZDXCPJCU-STQMWFEESA-N 1 1 390.864 2.123 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1F ZINC000872664017 654387354 /nfs/dbraw/zinc/38/73/54/654387354.db2.gz HHYAUTZDXCPJCU-STQMWFEESA-N 1 1 390.864 2.123 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000872665708 654387770 /nfs/dbraw/zinc/38/77/70/654387770.db2.gz QITCXCJZPDAKTM-CABCVRRESA-N 1 1 383.901 2.082 20 0 GEADMO CN1CCCC[C@@H]([N@@H+](C)Cn2nc(Br)c(=O)c3ccccc32)C1=O ZINC000872674116 654388930 /nfs/dbraw/zinc/38/89/30/654388930.db2.gz IGMMMBRSCIBLSO-CQSZACIVSA-N 1 1 393.285 2.059 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854954845 654391039 /nfs/dbraw/zinc/39/10/39/654391039.db2.gz LAYHWCLTSGDHJQ-GHMZBOCLSA-N 1 1 392.244 2.053 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854954845 654391043 /nfs/dbraw/zinc/39/10/43/654391043.db2.gz LAYHWCLTSGDHJQ-GHMZBOCLSA-N 1 1 392.244 2.053 20 0 GEADMO FC(F)(F)c1nn(CN2CC[NH+](CCc3cnccn3)CC2)c(=S)s1 ZINC000872700900 654391984 /nfs/dbraw/zinc/39/19/84/654391984.db2.gz YKARYAOGBUOUOP-UHFFFAOYSA-N 1 1 390.460 2.301 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000922493537 654397319 /nfs/dbraw/zinc/39/73/19/654397319.db2.gz QPQOSASUZXOOJQ-UHFFFAOYSA-N 1 1 391.515 2.096 20 0 GEADMO C[C@@H](C[NH2+]Cc1cccc(F)c1I)N1CCN(C)CC1 ZINC000873044453 654411433 /nfs/dbraw/zinc/41/14/33/654411433.db2.gz NPGKYCJUWFFKIW-LBPRGKRZSA-N 1 1 391.272 2.156 20 0 GEADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000855166202 654399089 /nfs/dbraw/zinc/39/90/89/654399089.db2.gz FNZGSUHVCONINM-ZDUSSCGKSA-N 1 1 387.933 2.193 20 0 GEADMO CCN(C(C)=O)c1nc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cs1 ZINC000922676261 654407215 /nfs/dbraw/zinc/40/72/15/654407215.db2.gz FJMMMIVOPIKROJ-UHFFFAOYSA-N 1 1 381.523 2.252 20 0 GEADMO Cc1cc(C[NH2+]Cc2cc(C(N)=O)no2)c(C)cc1I ZINC000893552799 654408045 /nfs/dbraw/zinc/40/80/45/654408045.db2.gz YSOZOPVKVUYGNF-UHFFFAOYSA-N 1 1 385.205 2.285 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)nn1 ZINC000893592931 654409768 /nfs/dbraw/zinc/40/97/68/654409768.db2.gz KQTQLAKFASXVNA-VIFPVBQESA-N 1 1 375.376 2.073 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)nn1 ZINC000893592931 654409769 /nfs/dbraw/zinc/40/97/69/654409769.db2.gz KQTQLAKFASXVNA-VIFPVBQESA-N 1 1 375.376 2.073 20 0 GEADMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ncc1Br ZINC000855346424 654414047 /nfs/dbraw/zinc/41/40/47/654414047.db2.gz BGCHWKJORLBAEH-NSHDSACASA-N 1 1 391.741 2.499 20 0 GEADMO C[C@H](CNC(=O)c1cn(C)nc1I)[N@H+]1CCCC[C@H]1C ZINC000906149286 654418897 /nfs/dbraw/zinc/41/88/97/654418897.db2.gz GFFWACAGFKFQAD-GHMZBOCLSA-N 1 1 390.269 2.017 20 0 GEADMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873150201 654418970 /nfs/dbraw/zinc/41/89/70/654418970.db2.gz HIRWHNVBCLPCLE-QWRGUYRKSA-N 1 1 396.285 2.097 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000906199629 654420861 /nfs/dbraw/zinc/42/08/61/654420861.db2.gz QHDZOPKCJNLRPP-CABCVRRESA-N 1 1 380.286 2.302 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000893771240 654420979 /nfs/dbraw/zinc/42/09/79/654420979.db2.gz UGHDBOZLAFUUMJ-ZDUSSCGKSA-N 1 1 384.322 2.406 20 0 GEADMO Brc1ccn2cc(CNC[C@H]3CC[N@H+]3C3CCOCC3)nc2c1 ZINC000922954482 654421749 /nfs/dbraw/zinc/42/17/49/654421749.db2.gz UXHOZJZIBHBOAC-MRXNPFEDSA-N 1 1 379.302 2.440 20 0 GEADMO 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/nfs/dbraw/zinc/71/24/47/654712447.db2.gz HPLLFFCNAMWBNP-BXUZGUMPSA-N 1 1 387.274 2.023 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cn2ncnc12 ZINC000930544203 654712701 /nfs/dbraw/zinc/71/27/01/654712701.db2.gz DVXQVZRAIDCMNU-VXGBXAGGSA-N 1 1 380.290 2.342 20 0 GEADMO CC(C)OCCCNC(=O)[C@H]([NH3+])c1ccccc1I ZINC000911969677 654738303 /nfs/dbraw/zinc/73/83/03/654738303.db2.gz DFNUGZUWYRTECA-CYBMUJFWSA-N 1 1 376.238 2.222 20 0 GEADMO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(Cl)cc1 ZINC000930830435 654721375 /nfs/dbraw/zinc/72/13/75/654721375.db2.gz DNFCDZVFLOAGTN-WQVCFCJDSA-N 1 1 381.929 2.213 20 0 GEADMO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc(Cl)cc1 ZINC000930830435 654721379 /nfs/dbraw/zinc/72/13/79/654721379.db2.gz DNFCDZVFLOAGTN-WQVCFCJDSA-N 1 1 381.929 2.213 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)CCC1 ZINC000930861643 654722404 /nfs/dbraw/zinc/72/24/04/654722404.db2.gz BITTZUYXBVRKRK-UKRRQHHQSA-N 1 1 380.501 2.109 20 0 GEADMO Cn1nc(C(F)(F)F)cc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000930902132 654723227 /nfs/dbraw/zinc/72/32/27/654723227.db2.gz QWZVQQGPXHZEIL-ZDUSSCGKSA-N 1 1 378.464 2.079 20 0 GEADMO Cn1nc(C(F)(F)F)cc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000930902132 654723229 /nfs/dbraw/zinc/72/32/29/654723229.db2.gz QWZVQQGPXHZEIL-ZDUSSCGKSA-N 1 1 378.464 2.079 20 0 GEADMO Cc1cnc(Br)cc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930931312 654723760 /nfs/dbraw/zinc/72/37/60/654723760.db2.gz UPKGDJDMVMFGFF-UONOGXRCSA-N 1 1 383.290 2.215 20 0 GEADMO Cc1cnc(Br)cc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000930930096 654723766 /nfs/dbraw/zinc/72/37/66/654723766.db2.gz BJANOSTVXYECEK-AWEZNQCLSA-N 1 1 396.333 2.396 20 0 GEADMO COc1ccc(Br)cc1C1(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000911496560 654724862 /nfs/dbraw/zinc/72/48/62/654724862.db2.gz LCDGJKTUYYWXAD-KRWDZBQOSA-N 1 1 397.313 2.410 20 0 GEADMO Cc1[nH]c(CN2CCC(n3nncc3I)CC2)c(C)[nH+]1 ZINC000931014532 654726496 /nfs/dbraw/zinc/72/64/96/654726496.db2.gz DHKWBEOSXGKGAD-UHFFFAOYSA-N 1 1 386.241 2.060 20 0 GEADMO CCc1nnc(NC(=O)[C@H]([NH3+])c2ccccc2I)s1 ZINC000911956479 654737769 /nfs/dbraw/zinc/73/77/69/654737769.db2.gz KRYMYLNFKXZCNB-SNVBAGLBSA-N 1 1 388.234 2.344 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435756 654742699 /nfs/dbraw/zinc/74/26/99/654742699.db2.gz NOHMDWVSDHESKX-QWHCGFSZSA-N 1 1 386.359 2.353 20 0 GEADMO C[NH+](C)CC1(O)CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000931480587 654743445 /nfs/dbraw/zinc/74/34/45/654743445.db2.gz ZTDDNDTUXSKZRX-INIZCTEOSA-N 1 1 396.329 2.091 20 0 GEADMO Cc1c(Br)nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931550750 654746394 /nfs/dbraw/zinc/74/63/94/654746394.db2.gz YYIWSIMDFGVBLE-ZIAGYGMSSA-N 1 1 383.290 2.215 20 0 GEADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@H](c1nccs1)C(F)(F)F ZINC000931556588 654746636 /nfs/dbraw/zinc/74/66/36/654746636.db2.gz ABGGTZAWJKEHEN-VXGBXAGGSA-N 1 1 378.420 2.299 20 0 GEADMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000931676396 654752953 /nfs/dbraw/zinc/75/29/53/654752953.db2.gz WLVSXXLLBUVQNW-CABCVRRESA-N 1 1 399.285 2.070 20 0 GEADMO COC1(OC)CCOC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000931676397 654753026 /nfs/dbraw/zinc/75/30/26/654753026.db2.gz WLVSXXLLBUVQNW-GJZGRUSLSA-N 1 1 399.285 2.070 20 0 GEADMO Cc1cc(Br)nc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000931689526 654753496 /nfs/dbraw/zinc/75/34/96/654753496.db2.gz ZDMRDFRKITUJNK-OLZOCXBDSA-N 1 1 383.290 2.215 20 0 GEADMO COC(=O)C[C@H](NC(=O)c1cnc(C[NH3+])s1)c1ccc(Br)cc1 ZINC000912454495 654754672 /nfs/dbraw/zinc/75/46/72/654754672.db2.gz NPLQLDJOEZPBHN-NSHDSACASA-N 1 1 398.282 2.399 20 0 GEADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 ZINC000912510515 654757387 /nfs/dbraw/zinc/75/73/87/654757387.db2.gz INAKCTOTYHINOH-WMZOPIPTSA-N 1 1 397.313 2.196 20 0 GEADMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000931816732 654758143 /nfs/dbraw/zinc/75/81/43/654758143.db2.gz OUTUSVDIYHGGMA-RBSFLKMASA-N 1 1 379.551 2.108 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000931816732 654758147 /nfs/dbraw/zinc/75/81/47/654758147.db2.gz OUTUSVDIYHGGMA-RBSFLKMASA-N 1 1 379.551 2.108 20 0 GEADMO CC(C)N(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931817907 654758210 /nfs/dbraw/zinc/75/82/10/654758210.db2.gz ZQHYNZOSRCOULA-HOTGVXAUSA-N 1 1 381.567 2.181 20 0 GEADMO CC(C)N(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931817907 654758214 /nfs/dbraw/zinc/75/82/14/654758214.db2.gz ZQHYNZOSRCOULA-HOTGVXAUSA-N 1 1 381.567 2.181 20 0 GEADMO C[N@@H+]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H](CO)C1 ZINC000912743867 654766156 /nfs/dbraw/zinc/76/61/56/654766156.db2.gz HRUHDDFPODNQCF-HNNXBMFYSA-N 1 1 385.302 2.133 20 0 GEADMO C[N@H+]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H](CO)C1 ZINC000912743867 654766159 /nfs/dbraw/zinc/76/61/59/654766159.db2.gz HRUHDDFPODNQCF-HNNXBMFYSA-N 1 1 385.302 2.133 20 0 GEADMO O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000932160941 654768826 /nfs/dbraw/zinc/76/88/26/654768826.db2.gz GQMYXBLURHLQRQ-STQMWFEESA-N 1 1 377.794 2.425 20 0 GEADMO O=C(Nc1n[nH]cc1I)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912886589 654772690 /nfs/dbraw/zinc/77/26/90/654772690.db2.gz AWPAIWFGWHLSEL-LBPRGKRZSA-N 1 1 396.232 2.475 20 0 GEADMO O[C@H](C[N@@H+]1CCC[C@@H]1c1cncc(Br)c1)CC1(O)CCOCC1 ZINC000932251766 654772669 /nfs/dbraw/zinc/77/26/69/654772669.db2.gz JYLHFCLMVSMGMQ-JKSUJKDBSA-N 1 1 385.302 2.274 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H]1c1cncc(Br)c1)CC1(O)CCOCC1 ZINC000932251766 654772672 /nfs/dbraw/zinc/77/26/72/654772672.db2.gz JYLHFCLMVSMGMQ-JKSUJKDBSA-N 1 1 385.302 2.274 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCC[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000932253762 654772814 /nfs/dbraw/zinc/77/28/14/654772814.db2.gz QVJAVEVUXYLJDU-WMZOPIPTSA-N 1 1 390.281 2.354 20 0 GEADMO Cn1nnc(NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000932266436 654773565 /nfs/dbraw/zinc/77/35/65/654773565.db2.gz YKUQWOAOOXBMMO-UHFFFAOYSA-N 1 1 384.271 2.303 20 0 GEADMO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000932297902 654774289 /nfs/dbraw/zinc/77/42/89/654774289.db2.gz FJDSQAJNPISSHW-JSGCOSHPSA-N 1 1 392.297 2.475 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932310761 654774803 /nfs/dbraw/zinc/77/48/03/654774803.db2.gz JSAXUMZCFLRLME-WCQYABFASA-N 1 1 380.286 2.333 20 0 GEADMO CC[N@@H+](CCC(N)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000932480023 654778831 /nfs/dbraw/zinc/77/88/31/654778831.db2.gz BSTILMHABUFYRA-NSHDSACASA-N 1 1 379.682 2.040 20 0 GEADMO Cc1ccc2[nH]c(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2c1Br ZINC000932524126 654780304 /nfs/dbraw/zinc/78/03/04/654780304.db2.gz CTKKNBZJNGGBDG-LBPRGKRZSA-N 1 1 379.302 2.214 20 0 GEADMO O=C(NCc1ccnc(Br)c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000913078663 654781697 /nfs/dbraw/zinc/78/16/97/654781697.db2.gz GLVOJJCQIQZOCF-GOSISDBHSA-N 1 1 390.281 2.097 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1nscc1I ZINC000913159178 654785666 /nfs/dbraw/zinc/78/56/66/654785666.db2.gz KNRIUSABYOLSIS-JTQLQIEISA-N 1 1 391.278 2.494 20 0 GEADMO C[C@@H](CNC(=O)c1cnc(CCC(F)(F)F)s1)CN1CC[NH+](C)CC1 ZINC000932714994 654786317 /nfs/dbraw/zinc/78/63/17/654786317.db2.gz YDDIOQSSXFGGIQ-LBPRGKRZSA-N 1 1 378.464 2.251 20 0 GEADMO Cc1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(C)c1Br ZINC000932775439 654789551 /nfs/dbraw/zinc/78/95/51/654789551.db2.gz NFDXTGRDDZAMAJ-WDEREUQCSA-N 1 1 385.306 2.380 20 0 GEADMO Cc1cc(Br)c2c(c1)CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C2 ZINC000913423677 654791281 /nfs/dbraw/zinc/79/12/81/654791281.db2.gz IJLPDUHNPYWYCL-GOSISDBHSA-N 1 1 381.314 2.489 20 0 GEADMO Cc1cc(Br)c2c(c1)CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)C2 ZINC000913423678 654791311 /nfs/dbraw/zinc/79/13/11/654791311.db2.gz IJLPDUHNPYWYCL-SFHVURJKSA-N 1 1 381.314 2.489 20 0 GEADMO C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CCO1 ZINC000932818193 654792207 /nfs/dbraw/zinc/79/22/07/654792207.db2.gz QBZNUCYBKLUZHX-CRAIPNDOSA-N 1 1 383.330 2.453 20 0 GEADMO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnc1Br ZINC000932914491 654794133 /nfs/dbraw/zinc/79/41/33/654794133.db2.gz WIRGGPQNDRGFHF-OAHLLOKOSA-N 1 1 381.318 2.005 20 0 GEADMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000933037527 654800879 /nfs/dbraw/zinc/80/08/79/654800879.db2.gz ZXWUSHFUYKQIOK-CYBMUJFWSA-N 1 1 375.213 2.112 20 0 GEADMO O=C(NC12CC[NH+](CC1)C2)c1ccc(Cn2cc(Br)cn2)s1 ZINC000913636713 654802278 /nfs/dbraw/zinc/80/22/78/654802278.db2.gz QSBPNZYWEMTPFC-UHFFFAOYSA-N 1 1 381.299 2.333 20 0 GEADMO Cc1csc(C[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124382 654803001 /nfs/dbraw/zinc/80/30/01/654803001.db2.gz XWVIENQXPZVFRX-MNOVXSKESA-N 1 1 378.420 2.093 20 0 GEADMO Cc1csc(C[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000933124380 654803041 /nfs/dbraw/zinc/80/30/41/654803041.db2.gz XWVIENQXPZVFRX-GHMZBOCLSA-N 1 1 378.420 2.093 20 0 GEADMO 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CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(Cl)c(C(N)=O)n1)[C@@H]2C ZINC001164860406 720929654 /nfs/dbraw/zinc/92/96/54/720929654.db2.gz RACPZIUNQQUBGU-GFCCVEGCSA-N 1 1 376.892 2.452 20 0 GEADMO COc1ccc2c(ccnc2N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164751401 720950574 /nfs/dbraw/zinc/95/05/74/720950574.db2.gz RBKUAKLPDKASED-UHFFFAOYSA-N 1 1 395.463 2.086 20 0 GEADMO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)[C@H]2C ZINC001164859029 721005166 /nfs/dbraw/zinc/00/51/66/721005166.db2.gz KNDAOTLQWXYNJK-INIZCTEOSA-N 1 1 399.543 2.225 20 0 GEADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)nccc1C(N)=O)[C@@H]2C ZINC001164858842 721017281 /nfs/dbraw/zinc/01/72/81/721017281.db2.gz HXPYQPPRSZVHAW-GFCCVEGCSA-N 1 1 376.892 2.452 20 0 GEADMO FC(F)(c1ccc(Cl)nn1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863962 721031236 /nfs/dbraw/zinc/03/12/36/721031236.db2.gz VXLFBUIEIMNXDC-UHFFFAOYSA-N 1 1 379.802 2.179 20 0 GEADMO CCOC(=O)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868387 721049105 /nfs/dbraw/zinc/04/91/05/721049105.db2.gz OGBNCXSRLIJJOU-MSOLQXFVSA-N 1 1 382.464 2.133 20 0 GEADMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866281 721051120 /nfs/dbraw/zinc/05/11/20/721051120.db2.gz DOXXNMUJUYALTJ-MOPGFXCFSA-N 1 1 382.464 2.133 20 0 GEADMO COC(=O)c1c(Cl)ccnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764372 721081923 /nfs/dbraw/zinc/08/19/23/721081923.db2.gz HJZLYNSXGXILNX-GJZGRUSLSA-N 1 1 389.887 2.213 20 0 GEADMO COC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164772061 721082346 /nfs/dbraw/zinc/08/23/46/721082346.db2.gz SZBPIOAYGIYLIU-HOCLYGCPSA-N 1 1 389.887 2.213 20 0 GEADMO COc1cnnc(Cl)c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864856 721085493 /nfs/dbraw/zinc/08/54/93/721085493.db2.gz GWAJLHRIICAOQN-GJZGRUSLSA-N 1 1 375.860 2.013 20 0 GEADMO COc1cnnc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864856 721085498 /nfs/dbraw/zinc/08/54/98/721085498.db2.gz GWAJLHRIICAOQN-GJZGRUSLSA-N 1 1 375.860 2.013 20 0 GEADMO Cc1nc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2n1C ZINC001164863621 721089329 /nfs/dbraw/zinc/08/93/29/721089329.db2.gz CXKGPACWNUOKAJ-ROUUACIJSA-N 1 1 378.480 2.151 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ncccc54)C[C@@H]3C2)cn1 ZINC001164763701 721089412 /nfs/dbraw/zinc/08/94/12/721089412.db2.gz GSGUVNKPCUDVBN-CABCVRRESA-N 1 1 383.887 2.370 20 0 GEADMO Cc1[nH]c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164866405 721093904 /nfs/dbraw/zinc/09/39/04/721093904.db2.gz TZHZTOFKDBSLRN-ZWKOTPCHSA-N 1 1 378.480 2.449 20 0 GEADMO Clc1cc2[nH]cnc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865525 721104936 /nfs/dbraw/zinc/10/49/36/721104936.db2.gz MKGNGZYMZUCISF-LSDHHAIUSA-N 1 1 384.871 2.486 20 0 GEADMO Clc1cc2nc[nH]c2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865525 721104946 /nfs/dbraw/zinc/10/49/46/721104946.db2.gz MKGNGZYMZUCISF-LSDHHAIUSA-N 1 1 384.871 2.486 20 0 GEADMO Clc1cc2nc[nH]c2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865525 721104954 /nfs/dbraw/zinc/10/49/54/721104954.db2.gz MKGNGZYMZUCISF-LSDHHAIUSA-N 1 1 384.871 2.486 20 0 GEADMO COC(=O)c1c[nH]c2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc12 ZINC001164764933 721105429 /nfs/dbraw/zinc/10/54/29/721105429.db2.gz ILYHRMMQRBOMIV-HZPDHXFCSA-N 1 1 394.479 2.041 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ccn5C)C[C@@H]3C2)cn1 ZINC001164768297 721106811 /nfs/dbraw/zinc/10/68/11/721106811.db2.gz OELWOKGIHREHAI-CABCVRRESA-N 1 1 385.903 2.314 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(-c5cccnc5)n4)C[C@@H]3C2)cn1 ZINC001164773275 721150763 /nfs/dbraw/zinc/15/07/63/721150763.db2.gz XWXBNSGPCRPUBK-OALUTQOASA-N 1 1 375.480 2.230 20 0 GEADMO CC(C)COc1nccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880711 721169874 /nfs/dbraw/zinc/16/98/74/721169874.db2.gz XFEXUNUQBJDBCR-OALUTQOASA-N 1 1 383.496 2.386 20 0 GEADMO COc1ncc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164873666 721174976 /nfs/dbraw/zinc/17/49/76/721174976.db2.gz JWLKUQKNDUVYSI-LSDHHAIUSA-N 1 1 375.860 2.013 20 0 GEADMO F[C@H](Oc1cncc(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869737 721179015 /nfs/dbraw/zinc/17/90/15/721179015.db2.gz ALIDGZDUAIRUHG-VKJFTORMSA-N 1 1 393.850 2.132 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccnc(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761345 721191483 /nfs/dbraw/zinc/19/14/83/721191483.db2.gz AUMYVJAHVJBXRD-MOPGFXCFSA-N 1 1 381.528 2.159 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761346 721192047 /nfs/dbraw/zinc/19/20/47/721192047.db2.gz AUMYVJAHVJBXRD-OALUTQOASA-N 1 1 381.528 2.159 20 0 GEADMO COc1cccc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164770150 721204961 /nfs/dbraw/zinc/20/49/61/721204961.db2.gz NROONAANNREDGV-IAGOWNOFSA-N 1 1 378.480 2.330 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4cnc(Cl)cn4)C[C@@H]3C2)cn1 ZINC001164767927 721246071 /nfs/dbraw/zinc/24/60/71/721246071.db2.gz XDKUNDHCBIRKMJ-KBPBESRZSA-N 1 1 398.845 2.247 20 0 GEADMO COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777019 721330693 /nfs/dbraw/zinc/33/06/93/721330693.db2.gz KGQQIDUQZQGDCM-FQEVSTJZSA-N 1 1 387.484 2.209 20 0 GEADMO COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777019 721330700 /nfs/dbraw/zinc/33/07/00/721330700.db2.gz KGQQIDUQZQGDCM-FQEVSTJZSA-N 1 1 387.484 2.209 20 0 GEADMO O=C(c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1)N1CCCC1 ZINC001164783757 721389195 /nfs/dbraw/zinc/38/91/95/721389195.db2.gz OUBAEFKRNDXRMX-HOTGVXAUSA-N 1 1 383.521 2.342 20 0 GEADMO CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787683 721390546 /nfs/dbraw/zinc/39/05/46/721390546.db2.gz QVLYNEGDHOHFDB-TXEJJXNPSA-N 1 1 393.900 2.331 20 0 GEADMO CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787683 721390551 /nfs/dbraw/zinc/39/05/51/721390551.db2.gz QVLYNEGDHOHFDB-TXEJJXNPSA-N 1 1 393.900 2.331 20 0 GEADMO Cc1cc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1C(N)=O ZINC001164791612 721392527 /nfs/dbraw/zinc/39/25/27/721392527.db2.gz ZWTIFIFSSNTYLX-RYUDHWBXSA-N 1 1 377.901 2.167 20 0 GEADMO COC(=O)c1ccc2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164791558 721396071 /nfs/dbraw/zinc/39/60/71/721396071.db2.gz ZDTSEHZEDIMXHC-IYBDPMFKSA-N 1 1 395.488 2.441 20 0 GEADMO COC(=O)c1ccc2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164791558 721396072 /nfs/dbraw/zinc/39/60/72/721396072.db2.gz ZDTSEHZEDIMXHC-IYBDPMFKSA-N 1 1 395.488 2.441 20 0 GEADMO COC(=O)c1ccc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164785083 721396528 /nfs/dbraw/zinc/39/65/28/721396528.db2.gz KWGJOBHDEZLVPD-HUUCEWRRSA-N 1 1 395.488 2.441 20 0 GEADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783473 721410546 /nfs/dbraw/zinc/41/05/46/721410546.db2.gz ISUPTSCRAJTCLT-CHWSQXEVSA-N 1 1 376.457 2.340 20 0 GEADMO Cc1nc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883756 721415566 /nfs/dbraw/zinc/41/55/66/721415566.db2.gz BZLKZEOLBUTWPQ-VQIMIIECSA-N 1 1 379.936 2.204 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ncc[nH]5)ccn4)C3)O2)CC1 ZINC001164890751 721426235 /nfs/dbraw/zinc/42/62/35/721426235.db2.gz DYCJCJZLWTUDGE-UGKGYDQZSA-N 1 1 396.539 2.237 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164888860 721429488 /nfs/dbraw/zinc/42/94/88/721429488.db2.gz BCCNUSWEFQAYBY-DNVCBOLYSA-N 1 1 379.936 2.083 20 0 GEADMO CN1CCc2nc(Cl)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2C1 ZINC001164791263 721435590 /nfs/dbraw/zinc/43/55/90/721435590.db2.gz ZTEZYTGGIRPSEM-STQMWFEESA-N 1 1 390.944 2.143 20 0 GEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(OC)n1)CC2 ZINC001164789289 721450756 /nfs/dbraw/zinc/45/07/56/721450756.db2.gz UOBXATHFSZCPAZ-GOSISDBHSA-N 1 1 390.528 2.219 20 0 GEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(F)nn1)CC2 ZINC001164786861 721460980 /nfs/dbraw/zinc/46/09/80/721460980.db2.gz PYVUOQRLCDWREL-QGZVFWFLSA-N 1 1 378.492 2.350 20 0 GEADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794647 721507201 /nfs/dbraw/zinc/50/72/01/721507201.db2.gz BMLFWNZJIDWRCH-PGRDOPGGSA-N 1 1 394.523 2.309 20 0 GEADMO NC(=O)c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1Cl ZINC001164899105 721515266 /nfs/dbraw/zinc/51/52/66/721515266.db2.gz JXXVKUOANWZIIU-UKRRQHHQSA-N 1 1 390.846 2.315 20 0 GEADMO COC(=O)c1cccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164794881 721528009 /nfs/dbraw/zinc/52/80/09/721528009.db2.gz IUMXYYYZIANJKK-HBFSDRIKSA-N 1 1 382.464 2.131 20 0 GEADMO COC(=O)c1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164795858 721528553 /nfs/dbraw/zinc/52/85/53/721528553.db2.gz TWCMLLLOAZDZMJ-IRFCIJBXSA-N 1 1 396.491 2.440 20 0 GEADMO C[C@@H]1C(=O)Nc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164910333 721539333 /nfs/dbraw/zinc/53/93/33/721539333.db2.gz UIEJUGCLTUUNLR-JGGQBBKZSA-N 1 1 383.427 2.013 20 0 GEADMO CCNC(=O)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905213 721543401 /nfs/dbraw/zinc/54/34/01/721543401.db2.gz GRMAPPCLCVJSJY-FUHWJXTLSA-N 1 1 384.455 2.312 20 0 GEADMO CCNC(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907639 721552513 /nfs/dbraw/zinc/55/25/13/721552513.db2.gz PEFXYKCDMZOLLJ-HKUYNNGSSA-N 1 1 384.455 2.312 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164810769 721582369 /nfs/dbraw/zinc/58/23/69/721582369.db2.gz WDDCBHKYUHWXIN-VAMGGRTRSA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164810769 721582370 /nfs/dbraw/zinc/58/23/70/721582370.db2.gz WDDCBHKYUHWXIN-VAMGGRTRSA-N 1 1 376.464 2.288 20 0 GEADMO Cn1cnc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906122 721586271 /nfs/dbraw/zinc/58/62/71/721586271.db2.gz LNHVSDROOMYJKA-LJQANCHMSA-N 1 1 399.449 2.496 20 0 GEADMO 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CC(=O)N1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2Br)CC1 ZINC000181524691 532300359 /nfs/dbraw/zinc/30/03/59/532300359.db2.gz PEQBIZJUVTWCIH-UHFFFAOYSA-N 1 1 396.329 2.401 20 0 GEADMO O=C(NCCSC(F)(F)F)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181575758 532302325 /nfs/dbraw/zinc/30/23/25/532302325.db2.gz RVFGEFRPQOYMQX-CQSZACIVSA-N 1 1 377.432 2.305 20 0 GEADMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000150946820 532305127 /nfs/dbraw/zinc/30/51/27/532305127.db2.gz ASLYSBKNZAKETB-NSHDSACASA-N 1 1 381.807 2.418 20 0 GEADMO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000181782044 532306554 /nfs/dbraw/zinc/30/65/54/532306554.db2.gz QRKSQBLDEIVMFB-AEFFLSMTSA-N 1 1 383.897 2.455 20 0 GEADMO C[N@@H+](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCSC1 ZINC000137728590 532290747 /nfs/dbraw/zinc/29/07/47/532290747.db2.gz BPDXMQOWJCGOII-CYBMUJFWSA-N 1 1 383.315 2.150 20 0 GEADMO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Br)n3)CC2)CC1 ZINC000182605798 532315088 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GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291717696 532907846 /nfs/dbraw/zinc/90/78/46/532907846.db2.gz IHPZELWGMOZHKX-NSHDSACASA-N 1 1 397.317 2.034 20 0 GEADMO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000277004881 532905943 /nfs/dbraw/zinc/90/59/43/532905943.db2.gz OXTWREYPXBSRMY-YGRLFVJLSA-N 1 1 386.279 2.493 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNc2ncccc2I)CC1 ZINC000277067446 532907114 /nfs/dbraw/zinc/90/71/14/532907114.db2.gz INEJLUCVIWKWHB-ZDUSSCGKSA-N 1 1 388.297 2.372 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000365336847 532909940 /nfs/dbraw/zinc/90/99/40/532909940.db2.gz OHSKMDKYCOTPCP-CQSZACIVSA-N 1 1 396.329 2.310 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000365373977 532910230 /nfs/dbraw/zinc/91/02/30/532910230.db2.gz ZKZFCAJQFYUYIS-AWEZNQCLSA-N 1 1 384.293 2.440 20 0 GEADMO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccc(I)cc1 ZINC000365860170 532912565 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20 0 GEADMO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3ccsc3)C2)cc(=O)[nH]1 ZINC000275508471 570695382 /nfs/dbraw/zinc/69/53/82/570695382.db2.gz AVHRLGNRHFBHIE-AWEZNQCLSA-N 1 1 376.486 2.048 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736400885 598836103 /nfs/dbraw/zinc/83/61/03/598836103.db2.gz TWASYSORFQGIAU-LBPRGKRZSA-N 1 1 398.920 2.063 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000737523181 598851370 /nfs/dbraw/zinc/85/13/70/598851370.db2.gz HKJNHROECDMRJS-DLBZAZTESA-N 1 1 380.456 2.035 20 0 GEADMO Cc1ncsc1C[N@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000737504064 598852933 /nfs/dbraw/zinc/85/29/33/598852933.db2.gz UOYWTUHAMADOAA-UHFFFAOYSA-N 1 1 381.469 2.288 20 0 GEADMO Cc1ncsc1C[N@@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000737504064 598852935 /nfs/dbraw/zinc/85/29/35/598852935.db2.gz UOYWTUHAMADOAA-UHFFFAOYSA-N 1 1 381.469 2.288 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000737523219 598853559 /nfs/dbraw/zinc/85/35/59/598853559.db2.gz HSGQDDLPEPLDHJ-QGZVFWFLSA-N 1 1 382.472 2.138 20 0 GEADMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705170 598862148 /nfs/dbraw/zinc/86/21/48/598862148.db2.gz FWUVRBMOHQZXKO-AEFFLSMTSA-N 1 1 395.467 2.177 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265512 598868331 /nfs/dbraw/zinc/86/83/31/598868331.db2.gz BZBBRSBDUWEIIQ-IRXDYDNUSA-N 1 1 398.511 2.359 20 0 GEADMO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736608384 598872307 /nfs/dbraw/zinc/87/23/07/598872307.db2.gz JLTHKFJKIZLHMJ-JSGCOSHPSA-N 1 1 376.461 2.152 20 0 GEADMO CCOC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736608384 598872308 /nfs/dbraw/zinc/87/23/08/598872308.db2.gz JLTHKFJKIZLHMJ-JSGCOSHPSA-N 1 1 376.461 2.152 20 0 GEADMO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736290492 598941182 /nfs/dbraw/zinc/94/11/82/598941182.db2.gz ARNSODMQEMDTGP-DYVFJYSZSA-N 1 1 399.886 2.159 20 0 GEADMO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736290492 598941184 /nfs/dbraw/zinc/94/11/84/598941184.db2.gz ARNSODMQEMDTGP-DYVFJYSZSA-N 1 1 399.886 2.159 20 0 GEADMO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738115495 598963206 /nfs/dbraw/zinc/96/32/06/598963206.db2.gz CPORJXCCGSWUGO-IBGZPJMESA-N 1 1 391.479 2.331 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000737033012 598981195 /nfs/dbraw/zinc/98/11/95/598981195.db2.gz QMYRLQYPOCYPIV-UHFFFAOYSA-N 1 1 397.435 2.157 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000737031801 598986164 /nfs/dbraw/zinc/98/61/64/598986164.db2.gz HOCPKPHMIHBYTJ-MRXNPFEDSA-N 1 1 397.483 2.442 20 0 GEADMO CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735896805 598988378 /nfs/dbraw/zinc/98/83/78/598988378.db2.gz VWHXUJJAYPSQJM-GFCCVEGCSA-N 1 1 392.529 2.491 20 0 GEADMO C[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736813367 598993765 /nfs/dbraw/zinc/99/37/65/598993765.db2.gz JOHSEZUTCCUKLF-MRXNPFEDSA-N 1 1 397.504 2.400 20 0 GEADMO C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736813367 598993766 /nfs/dbraw/zinc/99/37/66/598993766.db2.gz JOHSEZUTCCUKLF-MRXNPFEDSA-N 1 1 397.504 2.400 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736614939 598994425 /nfs/dbraw/zinc/99/44/25/598994425.db2.gz WHFPBWULLRVGLU-IRXDYDNUSA-N 1 1 384.484 2.475 20 0 GEADMO NC(=O)[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729706 599010585 /nfs/dbraw/zinc/01/05/85/599010585.db2.gz BXAKXMQOBXHBPM-DJSGYFEHSA-N 1 1 386.818 2.331 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736854206 599029625 /nfs/dbraw/zinc/02/96/25/599029625.db2.gz BMXONESOEBXHBC-GOSISDBHSA-N 1 1 392.463 2.270 20 0 GEADMO Cc1ccc(C)n1C1CC[NH+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737329416 599071314 /nfs/dbraw/zinc/07/13/14/599071314.db2.gz JPLKIVSCTNKNBR-GOSISDBHSA-N 1 1 379.468 2.149 20 0 GEADMO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736802032 599082955 /nfs/dbraw/zinc/08/29/55/599082955.db2.gz OJHRSDILRFLSJM-IBGZPJMESA-N 1 1 392.463 2.373 20 0 GEADMO NC(=O)[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739565 599089873 /nfs/dbraw/zinc/08/98/73/599089873.db2.gz ZIEVDKOIGAUXHQ-IBGZPJMESA-N 1 1 388.431 2.215 20 0 GEADMO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737113289 599095575 /nfs/dbraw/zinc/09/55/75/599095575.db2.gz BDHPACOJMBFDMO-ZWKOTPCHSA-N 1 1 378.436 2.069 20 0 GEADMO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737113286 599095935 /nfs/dbraw/zinc/09/59/35/599095935.db2.gz BDHPACOJMBFDMO-ROUUACIJSA-N 1 1 378.436 2.069 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC000737189545 599105533 /nfs/dbraw/zinc/10/55/33/599105533.db2.gz NZPFFJCBOHYTMC-GFCCVEGCSA-N 1 1 387.513 2.027 20 0 GEADMO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCC([N@@H+](C)CCCO)CC1 ZINC000737263069 599117745 /nfs/dbraw/zinc/11/77/45/599117745.db2.gz KDEHTIYUDLKCOH-UHFFFAOYSA-N 1 1 399.474 2.145 20 0 GEADMO Cc1cccc2c(NC3CCN(C(=O)C(C)C)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410314 599122416 /nfs/dbraw/zinc/12/24/16/599122416.db2.gz REDOMTJMZXNSAJ-UHFFFAOYSA-N 1 1 379.468 2.204 20 0 GEADMO Cc1cccc2c(NCc3ccnc(-n4cccn4)c3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410345 599122927 /nfs/dbraw/zinc/12/29/27/599122927.db2.gz RSMRCNXBFZFIIJ-UHFFFAOYSA-N 1 1 383.419 2.338 20 0 GEADMO O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874358 599136649 /nfs/dbraw/zinc/13/66/49/599136649.db2.gz BKIGNJTWYPBYAE-GOSISDBHSA-N 1 1 376.464 2.048 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000738388439 599217513 /nfs/dbraw/zinc/21/75/13/599217513.db2.gz STVIZYDXKWFPFI-LJQANCHMSA-N 1 1 397.454 2.453 20 0 GEADMO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736170105 599220433 /nfs/dbraw/zinc/22/04/33/599220433.db2.gz RRVFUZYCRJJGMW-HNAYVOBHSA-N 1 1 393.447 2.452 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000735735714 599226287 /nfs/dbraw/zinc/22/62/87/599226287.db2.gz UPBPLQVKESNQCY-BXWFABGCSA-N 1 1 398.511 2.355 20 0 GEADMO Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000818958990 597087288 /nfs/dbraw/zinc/08/72/88/597087288.db2.gz VZRBASGSFFOQCJ-GOSISDBHSA-N 1 1 387.524 2.262 20 0 GEADMO CCCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736457499 599241433 /nfs/dbraw/zinc/24/14/33/599241433.db2.gz WOEHZUJCQQWRIB-UHFFFAOYSA-N 1 1 392.529 2.230 20 0 GEADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)cn1 ZINC000822103389 607283416 /nfs/dbraw/zinc/28/34/16/607283416.db2.gz GELOMDBCCMVNEM-UHFFFAOYSA-N 1 1 389.423 2.386 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCN(C(=O)C(C)C)CC3)c2c1 ZINC000737249145 599257064 /nfs/dbraw/zinc/25/70/64/599257064.db2.gz SHLVIAJXZIRGDG-UHFFFAOYSA-N 1 1 379.468 2.336 20 0 GEADMO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736909137 599268403 /nfs/dbraw/zinc/26/84/03/599268403.db2.gz NXXANWSADYXWTC-IBGZPJMESA-N 1 1 392.463 2.293 20 0 GEADMO COC(=O)[C@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736909137 599268405 /nfs/dbraw/zinc/26/84/05/599268405.db2.gz NXXANWSADYXWTC-IBGZPJMESA-N 1 1 392.463 2.293 20 0 GEADMO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736909139 599268654 /nfs/dbraw/zinc/26/86/54/599268654.db2.gz NXXANWSADYXWTC-LJQANCHMSA-N 1 1 392.463 2.293 20 0 GEADMO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736909139 599268655 /nfs/dbraw/zinc/26/86/55/599268655.db2.gz NXXANWSADYXWTC-LJQANCHMSA-N 1 1 392.463 2.293 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738388972 599273246 /nfs/dbraw/zinc/27/32/46/599273246.db2.gz UTJLUILMZKVPRZ-MJGOQNOKSA-N 1 1 397.504 2.397 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@H+]1C ZINC000820658151 599276517 /nfs/dbraw/zinc/27/65/17/599276517.db2.gz QFUSLOLGYZXKNS-JQWIXIFHSA-N 1 1 395.414 2.415 20 0 GEADMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737150353 598248009 /nfs/dbraw/zinc/24/80/09/598248009.db2.gz PHLVTSZEJCWFSU-AWEZNQCLSA-N 1 1 380.452 2.377 20 0 GEADMO c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738427905 598253598 /nfs/dbraw/zinc/25/35/98/598253598.db2.gz YZJGVZLOCCMRFF-UHFFFAOYSA-N 1 1 386.463 2.375 20 0 GEADMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420743 598255126 /nfs/dbraw/zinc/25/51/26/598255126.db2.gz HBOSUMOOINLIIP-ZWKOTPCHSA-N 1 1 379.464 2.404 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735636068 598257314 /nfs/dbraw/zinc/25/73/14/598257314.db2.gz NVNMDKVJOXCQQC-LBPRGKRZSA-N 1 1 376.436 2.352 20 0 GEADMO C[N@@H+](CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000736801910 598317846 /nfs/dbraw/zinc/31/78/46/598317846.db2.gz WHIWQOSYRZCQSJ-UHFFFAOYSA-N 1 1 397.458 2.327 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736269616 598318688 /nfs/dbraw/zinc/31/86/88/598318688.db2.gz XSIBWTJIDMZESH-AWEZNQCLSA-N 1 1 389.479 2.460 20 0 GEADMO S=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738401335 598321578 /nfs/dbraw/zinc/32/15/78/598321578.db2.gz OTCQQSMPSACIRL-SNVBAGLBSA-N 1 1 377.905 2.291 20 0 GEADMO COC(=O)C[C@H]1CCCC[N@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736913010 598335038 /nfs/dbraw/zinc/33/50/38/598335038.db2.gz WABDRUNGQYBZJL-MRXNPFEDSA-N 1 1 381.440 2.105 20 0 GEADMO C[N@@H+](CC1CCCCC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736791636 598335410 /nfs/dbraw/zinc/33/54/10/598335410.db2.gz BJDGSCVTOHBSRX-UHFFFAOYSA-N 1 1 397.483 2.101 20 0 GEADMO CC(C)(C)n1cc(CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000735661156 598347995 /nfs/dbraw/zinc/34/79/95/598347995.db2.gz JZUIQXLSCIOBPR-UHFFFAOYSA-N 1 1 380.500 2.136 20 0 GEADMO Cc1nc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)oc1C ZINC000737477801 598349593 /nfs/dbraw/zinc/34/95/93/598349593.db2.gz PCJYCOVHZWSZSG-UHFFFAOYSA-N 1 1 385.447 2.319 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)oc1C ZINC000737477801 598349596 /nfs/dbraw/zinc/34/95/96/598349596.db2.gz PCJYCOVHZWSZSG-UHFFFAOYSA-N 1 1 385.447 2.319 20 0 GEADMO Cc1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497903 598355368 /nfs/dbraw/zinc/35/53/68/598355368.db2.gz AGNLUJBSYXYNST-ZDUSSCGKSA-N 1 1 386.485 2.099 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444688 598355605 /nfs/dbraw/zinc/35/56/05/598355605.db2.gz OJUBZGZLKWCLKU-WMLDXEAASA-N 1 1 380.456 2.036 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444688 598355607 /nfs/dbraw/zinc/35/56/07/598355607.db2.gz OJUBZGZLKWCLKU-WMLDXEAASA-N 1 1 380.456 2.036 20 0 GEADMO Cc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497901 598356078 /nfs/dbraw/zinc/35/60/78/598356078.db2.gz AGNLUJBSYXYNST-CYBMUJFWSA-N 1 1 386.485 2.099 20 0 GEADMO CC[N@@H+](CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)C(C)C ZINC000736536219 598359457 /nfs/dbraw/zinc/35/94/57/598359457.db2.gz FPGJHWUXCDQZOS-UHFFFAOYSA-N 1 1 398.467 2.499 20 0 GEADMO C[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736291936 598366102 /nfs/dbraw/zinc/36/61/02/598366102.db2.gz ZXSIZXGMYHUDAK-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000736291936 598366104 /nfs/dbraw/zinc/36/61/04/598366104.db2.gz ZXSIZXGMYHUDAK-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCN1C[C@@H](O)c1ccccc1 ZINC000736291936 598366106 /nfs/dbraw/zinc/36/61/06/598366106.db2.gz ZXSIZXGMYHUDAK-OXQOHEQNSA-N 1 1 378.480 2.106 20 0 GEADMO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876157 598396286 /nfs/dbraw/zinc/39/62/86/598396286.db2.gz HQLBLIOFBUJYJW-DOTOQJQBSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876157 598396287 /nfs/dbraw/zinc/39/62/87/598396287.db2.gz HQLBLIOFBUJYJW-DOTOQJQBSA-N 1 1 398.492 2.455 20 0 GEADMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737471710 598407032 /nfs/dbraw/zinc/40/70/32/598407032.db2.gz SGSDJPGZCNVLJT-SWLSCSKDSA-N 1 1 388.497 2.373 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736322451 598424840 /nfs/dbraw/zinc/42/48/40/598424840.db2.gz KRRPSODGUGIOTA-CQSZACIVSA-N 1 1 398.467 2.499 20 0 GEADMO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000735873623 598427550 /nfs/dbraw/zinc/42/75/50/598427550.db2.gz DMPPKSZMMCFUFZ-INIZCTEOSA-N 1 1 383.500 2.271 20 0 GEADMO Cc1occc1C(=O)NC1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000737247147 598457494 /nfs/dbraw/zinc/45/74/94/598457494.db2.gz ZMYHZUNAOYERCO-UHFFFAOYSA-N 1 1 381.440 2.179 20 0 GEADMO COc1ccccc1C[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000737148952 598551336 /nfs/dbraw/zinc/55/13/36/598551336.db2.gz CSKQKCKFQPFNCP-UHFFFAOYSA-N 1 1 391.479 2.081 20 0 GEADMO C[N@@H+](CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736801126 598596581 /nfs/dbraw/zinc/59/65/81/598596581.db2.gz RTYCBSMZYJZPNH-LJQANCHMSA-N 1 1 397.527 2.216 20 0 GEADMO CC[N@@H+]([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736510933 598621715 /nfs/dbraw/zinc/62/17/15/598621715.db2.gz ABEMIOTWSCQIIN-SMDDNHRTSA-N 1 1 382.390 2.413 20 0 GEADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736224025 598666268 /nfs/dbraw/zinc/66/62/68/598666268.db2.gz LBZPJRVIZKHCIQ-ZNMIVQPWSA-N 1 1 388.541 2.441 20 0 GEADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738018671 598668300 /nfs/dbraw/zinc/66/83/00/598668300.db2.gz DKBCMWSOYNCGTP-AYHJJNSGSA-N 1 1 389.463 2.187 20 0 GEADMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735632932 598681821 /nfs/dbraw/zinc/68/18/21/598681821.db2.gz IVUBCJROMCNAAZ-AWEZNQCLSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735632932 598681822 /nfs/dbraw/zinc/68/18/22/598681822.db2.gz IVUBCJROMCNAAZ-AWEZNQCLSA-N 1 1 376.436 2.495 20 0 GEADMO CC[N@@H+](CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC1 ZINC000736536241 598688435 /nfs/dbraw/zinc/68/84/35/598688435.db2.gz GGDWELMXSXZSKU-UHFFFAOYSA-N 1 1 393.451 2.268 20 0 GEADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856448 598692713 /nfs/dbraw/zinc/69/27/13/598692713.db2.gz HBHXIPSYQXLUQM-UHFFFAOYSA-N 1 1 393.495 2.435 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736019999 598704811 /nfs/dbraw/zinc/70/48/11/598704811.db2.gz JHBOMMCPLHVKQQ-CYBMUJFWSA-N 1 1 376.461 2.091 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCN(C2CC2)C1 ZINC000736793120 598708172 /nfs/dbraw/zinc/70/81/72/598708172.db2.gz RZSLBLQEQMOHMB-CQSZACIVSA-N 1 1 389.891 2.017 20 0 GEADMO CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736793120 598708174 /nfs/dbraw/zinc/70/81/74/598708174.db2.gz RZSLBLQEQMOHMB-CQSZACIVSA-N 1 1 389.891 2.017 20 0 GEADMO CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000736793120 598708176 /nfs/dbraw/zinc/70/81/76/598708176.db2.gz RZSLBLQEQMOHMB-CQSZACIVSA-N 1 1 389.891 2.017 20 0 GEADMO C[C@H](CNC(=O)NCc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000736018892 598715145 /nfs/dbraw/zinc/71/51/45/598715145.db2.gz XININSODZGWPKQ-OAHLLOKOSA-N 1 1 379.468 2.186 20 0 GEADMO Cc1noc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737535756 598726069 /nfs/dbraw/zinc/72/60/69/598726069.db2.gz BMANVPULWJQDFR-UHFFFAOYSA-N 1 1 396.455 2.211 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000736182423 598746985 /nfs/dbraw/zinc/74/69/85/598746985.db2.gz FJWCIGAYFGGJMU-AWEZNQCLSA-N 1 1 378.436 2.113 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000736182423 598746987 /nfs/dbraw/zinc/74/69/87/598746987.db2.gz FJWCIGAYFGGJMU-AWEZNQCLSA-N 1 1 378.436 2.113 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000736170509 598748161 /nfs/dbraw/zinc/74/81/61/598748161.db2.gz QBSHQIIIZKIFJM-CQSZACIVSA-N 1 1 378.436 2.113 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000736170509 598748162 /nfs/dbraw/zinc/74/81/62/598748162.db2.gz QBSHQIIIZKIFJM-CQSZACIVSA-N 1 1 378.436 2.113 20 0 GEADMO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738392321 598756673 /nfs/dbraw/zinc/75/66/73/598756673.db2.gz AYGPBYFNSDLJTH-LJQANCHMSA-N 1 1 398.898 2.371 20 0 GEADMO O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000737861539 598757657 /nfs/dbraw/zinc/75/76/57/598757657.db2.gz FLHKKMGCEJSIJN-UHFFFAOYSA-N 1 1 392.467 2.398 20 0 GEADMO Cc1nccc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737499592 598760859 /nfs/dbraw/zinc/76/08/59/598760859.db2.gz MBUKRFBXDQHANX-OAHLLOKOSA-N 1 1 392.467 2.173 20 0 GEADMO O=C1[C@H]([N@H+]2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291559 598764473 /nfs/dbraw/zinc/76/44/73/598764473.db2.gz VHIZWJWMQJDSFO-IEBWSBKVSA-N 1 1 389.463 2.158 20 0 GEADMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736273002 598766237 /nfs/dbraw/zinc/76/62/37/598766237.db2.gz QRNGNWMWPBCHRP-HNAYVOBHSA-N 1 1 398.511 2.405 20 0 GEADMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736273000 598766582 /nfs/dbraw/zinc/76/65/82/598766582.db2.gz QRNGNWMWPBCHRP-BEFAXECRSA-N 1 1 398.511 2.405 20 0 GEADMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000736947255 598767163 /nfs/dbraw/zinc/76/71/63/598767163.db2.gz HRTUSECCADYFGQ-UHFFFAOYSA-N 1 1 383.408 2.290 20 0 GEADMO COCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736971659 598777121 /nfs/dbraw/zinc/77/71/21/598777121.db2.gz JGFDMCLMDYDWSL-NSHDSACASA-N 1 1 378.864 2.206 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736322820 598782234 /nfs/dbraw/zinc/78/22/34/598782234.db2.gz PMJZNSHIKONLMR-SNVBAGLBSA-N 1 1 383.403 2.320 20 0 GEADMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978786 598820983 /nfs/dbraw/zinc/82/09/83/598820983.db2.gz RPRWRPXLBJAXNL-VXGBXAGGSA-N 1 1 390.513 2.102 20 0 GEADMO O[C@@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1cccc(Cl)c1 ZINC000823681634 599308150 /nfs/dbraw/zinc/30/81/50/599308150.db2.gz HWLBGFYUVAHIRH-SFHVURJKSA-N 1 1 384.871 2.376 20 0 GEADMO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccc(-c3nn[nH]n3)cc1)C[C@@H]2O ZINC000737109630 599309733 /nfs/dbraw/zinc/30/97/33/599309733.db2.gz KHFKMOGWJHYHGO-WBMJQRKESA-N 1 1 381.436 2.494 20 0 GEADMO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccc(-c3nn[nH]n3)cc1)C[C@@H]2O ZINC000737109630 599309736 /nfs/dbraw/zinc/30/97/36/599309736.db2.gz KHFKMOGWJHYHGO-WBMJQRKESA-N 1 1 381.436 2.494 20 0 GEADMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000736200582 599311555 /nfs/dbraw/zinc/31/15/55/599311555.db2.gz VGNOCRRSBZKYPG-ZDUSSCGKSA-N 1 1 398.492 2.358 20 0 GEADMO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736710317 599316326 /nfs/dbraw/zinc/31/63/26/599316326.db2.gz HWQXSTDHXATLDS-KBPBESRZSA-N 1 1 382.472 2.252 20 0 GEADMO CC[C@]1(C)CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820949446 599328885 /nfs/dbraw/zinc/32/88/85/599328885.db2.gz ACGMPCQYULKMGV-UXHICEINSA-N 1 1 397.483 2.103 20 0 GEADMO CC[C@]1(C)CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820949446 599328888 /nfs/dbraw/zinc/32/88/88/599328888.db2.gz ACGMPCQYULKMGV-UXHICEINSA-N 1 1 397.483 2.103 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821088308 599330020 /nfs/dbraw/zinc/33/00/20/599330020.db2.gz KWECHOQSCKIFQS-MRXNPFEDSA-N 1 1 380.500 2.351 20 0 GEADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735965442 599356404 /nfs/dbraw/zinc/35/64/04/599356404.db2.gz LOCCQATTWRAHDN-HNNXBMFYSA-N 1 1 382.472 2.298 20 0 GEADMO CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1nnc2n1CCCCC2 ZINC000820924857 599424916 /nfs/dbraw/zinc/42/49/16/599424916.db2.gz ANAOWEATMHFZJJ-HNNXBMFYSA-N 1 1 382.472 2.434 20 0 GEADMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736801697 599448456 /nfs/dbraw/zinc/44/84/56/599448456.db2.gz UCMMBFJBUJMIJS-UHFFFAOYSA-N 1 1 376.461 2.092 20 0 GEADMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736226822 599486082 /nfs/dbraw/zinc/48/60/82/599486082.db2.gz YJFORRGSCXPPPA-GJZGRUSLSA-N 1 1 382.516 2.361 20 0 GEADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201164 599488262 /nfs/dbraw/zinc/48/82/62/599488262.db2.gz HCGWJEDTTDVDEH-YJBOKZPZSA-N 1 1 388.479 2.440 20 0 GEADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201164 599488264 /nfs/dbraw/zinc/48/82/64/599488264.db2.gz HCGWJEDTTDVDEH-YJBOKZPZSA-N 1 1 388.479 2.440 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC[C@H](N4CCNC4=O)C3)c2c1 ZINC000822194944 599496006 /nfs/dbraw/zinc/49/60/06/599496006.db2.gz AXTNDRXOXZQEQD-AWEZNQCLSA-N 1 1 392.467 2.026 20 0 GEADMO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820768609 599530823 /nfs/dbraw/zinc/53/08/23/599530823.db2.gz OTTVOOVISKBOMS-AUUYWEPGSA-N 1 1 382.443 2.250 20 0 GEADMO COc1cc2c(nn1)CCN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc31)C2 ZINC000821727269 599532161 /nfs/dbraw/zinc/53/21/61/599532161.db2.gz GLUBQDMTJWCWHI-UHFFFAOYSA-N 1 1 388.435 2.393 20 0 GEADMO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@H+]1C[C@H](C)O ZINC000820994079 599532739 /nfs/dbraw/zinc/53/27/39/599532739.db2.gz DDNFWSNUUXWDKL-DZGCQCFKSA-N 1 1 399.474 2.144 20 0 GEADMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313323 599534809 /nfs/dbraw/zinc/53/48/09/599534809.db2.gz CVVVXBZPNAKINC-CABCVRRESA-N 1 1 376.464 2.491 20 0 GEADMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313323 599534811 /nfs/dbraw/zinc/53/48/11/599534811.db2.gz CVVVXBZPNAKINC-CABCVRRESA-N 1 1 376.464 2.491 20 0 GEADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820323695 599535712 /nfs/dbraw/zinc/53/57/12/599535712.db2.gz YTCSACNTONPKSM-KXBFYZLASA-N 1 1 391.479 2.351 20 0 GEADMO Cc1ccc(C(=O)NCCNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)cc1 ZINC000822226407 599547578 /nfs/dbraw/zinc/54/75/78/599547578.db2.gz RABOYMKYRVLNLN-UHFFFAOYSA-N 1 1 387.447 2.296 20 0 GEADMO CCOC(=O)CC[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)CC1CC1 ZINC000821330737 599570282 /nfs/dbraw/zinc/57/02/82/599570282.db2.gz PPVXJCSARYAMEK-UHFFFAOYSA-N 1 1 397.439 2.082 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000736166509 599575079 /nfs/dbraw/zinc/57/50/79/599575079.db2.gz BEWJXFPFWVWXJH-OAHLLOKOSA-N 1 1 384.484 2.111 20 0 GEADMO C[C@@H](O)C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1 ZINC000820480439 599578236 /nfs/dbraw/zinc/57/82/36/599578236.db2.gz KJSOEKHVSCZYFK-CQSZACIVSA-N 1 1 391.435 2.300 20 0 GEADMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1 ZINC000820480439 599578239 /nfs/dbraw/zinc/57/82/39/599578239.db2.gz KJSOEKHVSCZYFK-CQSZACIVSA-N 1 1 391.435 2.300 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000823690013 599581341 /nfs/dbraw/zinc/58/13/41/599581341.db2.gz KMVYSPNLVFPKNY-HKUYNNGSSA-N 1 1 387.484 2.030 20 0 GEADMO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738418456 599587560 /nfs/dbraw/zinc/58/75/60/599587560.db2.gz IKLFNAOYHKAESL-INIZCTEOSA-N 1 1 390.451 2.168 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000819939388 599588093 /nfs/dbraw/zinc/58/80/93/599588093.db2.gz ALHUVNPVGQIOOW-OAHLLOKOSA-N 1 1 388.472 2.235 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000735562208 599590132 /nfs/dbraw/zinc/59/01/32/599590132.db2.gz OLDPFJXMOVPUDZ-HNNXBMFYSA-N 1 1 383.500 2.144 20 0 GEADMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335130 599590433 /nfs/dbraw/zinc/59/04/33/599590433.db2.gz QHCDPJXKQSXVPD-VQIMIIECSA-N 1 1 381.480 2.478 20 0 GEADMO CCCC[C@@H](C(=O)OC)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821041107 599635440 /nfs/dbraw/zinc/63/54/40/599635440.db2.gz ZEHANZBAJCAGPG-SFHVURJKSA-N 1 1 386.500 2.106 20 0 GEADMO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473747 599640145 /nfs/dbraw/zinc/64/01/45/599640145.db2.gz LCUXWXYJKWKPAR-NEPJUHHUSA-N 1 1 392.529 2.227 20 0 GEADMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473747 599640146 /nfs/dbraw/zinc/64/01/46/599640146.db2.gz LCUXWXYJKWKPAR-NEPJUHHUSA-N 1 1 392.529 2.227 20 0 GEADMO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000820967376 599641169 /nfs/dbraw/zinc/64/11/69/599641169.db2.gz NMDUJHUTGQIIKY-NSHDSACASA-N 1 1 378.864 2.084 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821160299 599643779 /nfs/dbraw/zinc/64/37/79/599643779.db2.gz JDWJAZQCNVAIEW-CHWSQXEVSA-N 1 1 391.907 2.121 20 0 GEADMO CC[C@@](C)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820853939 599645087 /nfs/dbraw/zinc/64/50/87/599645087.db2.gz PYZCMQVAXLPQRE-GOSISDBHSA-N 1 1 385.497 2.163 20 0 GEADMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820683442 599645978 /nfs/dbraw/zinc/64/59/78/599645978.db2.gz BFBOAGMNZKRVBR-KBPBESRZSA-N 1 1 380.456 2.111 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614341 599668346 /nfs/dbraw/zinc/66/83/46/599668346.db2.gz BBARNOZGIFMCDP-LJQANCHMSA-N 1 1 391.479 2.283 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000823235033 599679104 /nfs/dbraw/zinc/67/91/04/599679104.db2.gz QQXCSWLLMINRKM-UHFFFAOYSA-N 1 1 387.463 2.166 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCCCO1 ZINC000819877463 599690231 /nfs/dbraw/zinc/69/02/31/599690231.db2.gz WGGUNIVUHLSJNL-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)C[C@H]1CCCCO1 ZINC000819877463 599690232 /nfs/dbraw/zinc/69/02/32/599690232.db2.gz WGGUNIVUHLSJNL-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821609758 607387127 /nfs/dbraw/zinc/38/71/27/607387127.db2.gz KQOAGPWTEXRYJP-LBPRGKRZSA-N 1 1 392.389 2.256 20 0 GEADMO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736514 600095041 /nfs/dbraw/zinc/09/50/41/600095041.db2.gz OGUJPAMRDDRVOT-FUHWJXTLSA-N 1 1 385.464 2.262 20 0 GEADMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736514 600095044 /nfs/dbraw/zinc/09/50/44/600095044.db2.gz OGUJPAMRDDRVOT-FUHWJXTLSA-N 1 1 385.464 2.262 20 0 GEADMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789730 600285759 /nfs/dbraw/zinc/28/57/59/600285759.db2.gz QSYPMEYDFCGNJA-KWOWTXELSA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789730 600285761 /nfs/dbraw/zinc/28/57/61/600285761.db2.gz QSYPMEYDFCGNJA-KWOWTXELSA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789730 600285762 /nfs/dbraw/zinc/28/57/62/600285762.db2.gz QSYPMEYDFCGNJA-KWOWTXELSA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789730 600285764 /nfs/dbraw/zinc/28/57/64/600285764.db2.gz QSYPMEYDFCGNJA-KWOWTXELSA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789732 600285957 /nfs/dbraw/zinc/28/59/57/600285957.db2.gz QSYPMEYDFCGNJA-WKHYQZIASA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789732 600285959 /nfs/dbraw/zinc/28/59/59/600285959.db2.gz QSYPMEYDFCGNJA-WKHYQZIASA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789732 600285961 /nfs/dbraw/zinc/28/59/61/600285961.db2.gz QSYPMEYDFCGNJA-WKHYQZIASA-N 1 1 395.569 2.464 20 0 GEADMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000736789732 600285964 /nfs/dbraw/zinc/28/59/64/600285964.db2.gz QSYPMEYDFCGNJA-WKHYQZIASA-N 1 1 395.569 2.464 20 0 GEADMO Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000832843313 600825052 /nfs/dbraw/zinc/82/50/52/600825052.db2.gz UDYQMNPCQTXJRI-MRXNPFEDSA-N 1 1 391.512 2.478 20 0 GEADMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cn2)C[C@H](C)O1 ZINC000820769540 607474054 /nfs/dbraw/zinc/47/40/54/607474054.db2.gz VJDUZUGWZLOTJV-OKILXGFUSA-N 1 1 397.458 2.304 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C(=O)[O-])c3ccccc3F)CC2)CC1 ZINC000829770236 601006352 /nfs/dbraw/zinc/00/63/52/601006352.db2.gz GJUGBYAXNDTHQN-FQEVSTJZSA-N 1 1 391.487 2.218 20 0 GEADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825285109 607487978 /nfs/dbraw/zinc/48/79/78/607487978.db2.gz JQEMRVZQGSBHNF-ZBFHGGJFSA-N 1 1 386.500 2.392 20 0 GEADMO CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCCC(=O)[O-] ZINC000830923289 601213276 /nfs/dbraw/zinc/21/32/76/601213276.db2.gz GABUGSYNJOZNNK-UHFFFAOYSA-N 1 1 382.549 2.079 20 0 GEADMO COc1ccc(C[N@@H+]2CCN(c3nc(C)cs3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195595 607497464 /nfs/dbraw/zinc/49/74/64/607497464.db2.gz YYIYQOGGNYZOOF-ZDUSSCGKSA-N 1 1 385.497 2.351 20 0 GEADMO COc1ccc(C[N@H+]2CCN(c3nc(C)cs3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195595 607497465 /nfs/dbraw/zinc/49/74/65/607497465.db2.gz YYIYQOGGNYZOOF-ZDUSSCGKSA-N 1 1 385.497 2.351 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820091867 607497937 /nfs/dbraw/zinc/49/79/37/607497937.db2.gz BWHJLBWEVHPXQE-CQSZACIVSA-N 1 1 389.479 2.173 20 0 GEADMO COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826155794 607500852 /nfs/dbraw/zinc/50/08/52/607500852.db2.gz CGGWCJWQHCBZHA-UHFFFAOYSA-N 1 1 382.468 2.352 20 0 GEADMO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823066457 607502761 /nfs/dbraw/zinc/50/27/61/607502761.db2.gz ZSQITPSCZAFLRW-CRAIPNDOSA-N 1 1 398.536 2.434 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000821762459 607507823 /nfs/dbraw/zinc/50/78/23/607507823.db2.gz LYRLSUVISZPGHO-PBHICJAKSA-N 1 1 397.483 2.356 20 0 GEADMO C[C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948278 607509656 /nfs/dbraw/zinc/50/96/56/607509656.db2.gz SSOLCDHASGWQLF-BBRMVZONSA-N 1 1 387.488 2.387 20 0 GEADMO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826475381 607514363 /nfs/dbraw/zinc/51/43/63/607514363.db2.gz DKNICWNHYQVYSH-XHDPSFHLSA-N 1 1 387.875 2.004 20 0 GEADMO CCOC(=O)[C@H](C)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825484831 607521011 /nfs/dbraw/zinc/52/10/11/607521011.db2.gz BEAJECQMXCCCFB-SECBINFHSA-N 1 1 392.366 2.049 20 0 GEADMO c1cc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512530 607528146 /nfs/dbraw/zinc/52/81/46/607528146.db2.gz DQSFSRUYHHCAGV-JKSUJKDBSA-N 1 1 381.440 2.165 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000832979011 601871489 /nfs/dbraw/zinc/87/14/89/601871489.db2.gz JDRKWTBIDFEOMU-IBGZPJMESA-N 1 1 375.513 2.118 20 0 GEADMO Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC000832932863 602229011 /nfs/dbraw/zinc/22/90/11/602229011.db2.gz YZXRBQCLTUNEPU-LJQANCHMSA-N 1 1 375.513 2.118 20 0 GEADMO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NC[C@H]1CCCn2cc[nH+]c21 ZINC000826375314 607558916 /nfs/dbraw/zinc/55/89/16/607558916.db2.gz IHQJJZWWTOPQGH-SNVBAGLBSA-N 1 1 382.378 2.301 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000826331182 607601468 /nfs/dbraw/zinc/60/14/68/607601468.db2.gz YCKLGJGBXOWWAJ-SFHVURJKSA-N 1 1 397.483 2.324 20 0 GEADMO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826196468 607608454 /nfs/dbraw/zinc/60/84/54/607608454.db2.gz CYUJUUNNAFBERX-SFHVURJKSA-N 1 1 392.463 2.156 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000826183790 607620639 /nfs/dbraw/zinc/62/06/39/607620639.db2.gz ZXVWZCJJAJZWJV-UHFFFAOYSA-N 1 1 398.442 2.345 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000826183195 607637340 /nfs/dbraw/zinc/63/73/40/607637340.db2.gz HYAZRDOUAIFGAU-OAHLLOKOSA-N 1 1 388.472 2.364 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000826181576 607642213 /nfs/dbraw/zinc/64/22/13/607642213.db2.gz FBIUHVSPSXPPLW-UHFFFAOYSA-N 1 1 392.463 2.400 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000826307444 607650862 /nfs/dbraw/zinc/65/08/62/607650862.db2.gz IOVVIIKILWJAMG-UHFFFAOYSA-N 1 1 376.464 2.442 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000444166910 649938925 /nfs/dbraw/zinc/93/89/25/649938925.db2.gz CMLYTBXMQDTIMO-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000444166910 649938928 /nfs/dbraw/zinc/93/89/28/649938928.db2.gz CMLYTBXMQDTIMO-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(OC)ccc1Br)C(C)C ZINC000444172803 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CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)CCc1cccc(Br)c1 ZINC000463416477 650495232 /nfs/dbraw/zinc/49/52/32/650495232.db2.gz AETMWYKRGARPNQ-UHFFFAOYSA-N 1 1 398.345 2.297 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000509592009 650496615 /nfs/dbraw/zinc/49/66/15/650496615.db2.gz MAFQDFCUVVKEBJ-GHMZBOCLSA-N 1 1 388.331 2.134 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)C[N@H+]1C ZINC000509634939 650498075 /nfs/dbraw/zinc/49/80/75/650498075.db2.gz QGTPRWGHOWZEMA-RDBSUJKOSA-N 1 1 394.313 2.353 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000465656909 650498629 /nfs/dbraw/zinc/49/86/29/650498629.db2.gz JBLRLSQWSOXACF-RISCZKNCSA-N 1 1 383.290 2.170 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000509723035 650499655 /nfs/dbraw/zinc/49/96/55/650499655.db2.gz VWYXYULFTABBGA-UHFFFAOYSA-N 1 1 390.311 2.036 20 0 GEADMO Cc1cc(C)n(CC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c(=O)n1 ZINC000469493069 650510747 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CC(C)[NH+]1CC(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000470975055 650517652 /nfs/dbraw/zinc/51/76/52/650517652.db2.gz MBJACJWGEWCGSH-HNNXBMFYSA-N 1 1 380.286 2.011 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000472208436 650519919 /nfs/dbraw/zinc/51/99/19/650519919.db2.gz NSIIGQHPGFIJCR-HNNXBMFYSA-N 1 1 387.571 2.139 20 0 GEADMO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000511012330 650523506 /nfs/dbraw/zinc/52/35/06/650523506.db2.gz FOGIZFWHCDRPMI-GFCCVEGCSA-N 1 1 379.507 2.345 20 0 GEADMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000511123162 650526853 /nfs/dbraw/zinc/52/68/53/650526853.db2.gz PWIDARAYQGTMGI-CYBMUJFWSA-N 1 1 388.917 2.230 20 0 GEADMO COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000511123162 650526856 /nfs/dbraw/zinc/52/68/56/650526856.db2.gz PWIDARAYQGTMGI-CYBMUJFWSA-N 1 1 388.917 2.230 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000474085009 650526877 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/nfs/dbraw/zinc/44/02/18/652440218.db2.gz KCCQMGMDIYKRJA-LLVKDONJSA-N 1 1 386.265 2.375 20 0 GEADMO COC[C@](C)(CCO)[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000754665400 652441899 /nfs/dbraw/zinc/44/18/99/652441899.db2.gz BQBKNWJPOABART-ZDUSSCGKSA-N 1 1 376.276 2.438 20 0 GEADMO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000754677994 652441948 /nfs/dbraw/zinc/44/19/48/652441948.db2.gz YWTKZBBVKAOKSM-GFCCVEGCSA-N 1 1 377.495 2.287 20 0 GEADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000661885208 652442547 /nfs/dbraw/zinc/44/25/47/652442547.db2.gz WBVOFSVWOPEBTC-XHSDSOJGSA-N 1 1 377.428 2.382 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000627929374 652443509 /nfs/dbraw/zinc/44/35/09/652443509.db2.gz IZCRFHYNRUOASU-UHFFFAOYSA-N 1 1 379.298 2.460 20 0 GEADMO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000582295994 652444140 /nfs/dbraw/zinc/44/41/40/652444140.db2.gz CXCYETDNUCQLHQ-GDBMZVCRSA-N 1 1 382.913 2.028 20 0 GEADMO C[N@H+]1CCC[C@H](CN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308976 652444874 /nfs/dbraw/zinc/44/48/74/652444874.db2.gz FOOXVAGQIBJDCK-DOMZBBRYSA-N 1 1 380.286 2.012 20 0 GEADMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCCF)CC1 ZINC000627954418 652444884 /nfs/dbraw/zinc/44/48/84/652444884.db2.gz PHCJGZNBBAHIMJ-UHFFFAOYSA-N 1 1 376.259 2.227 20 0 GEADMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662017617 652445448 /nfs/dbraw/zinc/44/54/48/652445448.db2.gz TYHKCRFNTTZKTA-KBPBESRZSA-N 1 1 390.311 2.421 20 0 GEADMO C[N@@H+](CCCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C1CC1 ZINC000662087389 652447369 /nfs/dbraw/zinc/44/73/69/652447369.db2.gz HHOUYRSGOJRAAQ-UHFFFAOYSA-N 1 1 378.947 2.307 20 0 GEADMO C[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662138545 652448529 /nfs/dbraw/zinc/44/85/29/652448529.db2.gz QZVKMKKOIDNZAZ-KSSFIOAISA-N 1 1 399.329 2.237 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000662200818 652451700 /nfs/dbraw/zinc/45/17/00/652451700.db2.gz LQBVCXCLVIKBSM-AWEZNQCLSA-N 1 1 396.329 2.196 20 0 GEADMO Cc1csc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1I ZINC000582486947 652452307 /nfs/dbraw/zinc/45/23/07/652452307.db2.gz UIZZWEYANHTKBA-LBPRGKRZSA-N 1 1 382.242 2.435 20 0 GEADMO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1=CCSC1 ZINC000662267698 652454689 /nfs/dbraw/zinc/45/46/89/652454689.db2.gz IGKKCXLDALYGFH-UHFFFAOYSA-N 1 1 398.326 2.109 20 0 GEADMO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1=CCSC1 ZINC000662267698 652454690 /nfs/dbraw/zinc/45/46/90/652454690.db2.gz IGKKCXLDALYGFH-UHFFFAOYSA-N 1 1 398.326 2.109 20 0 GEADMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)ncc1Br ZINC000628273047 652456857 /nfs/dbraw/zinc/45/68/57/652456857.db2.gz GTVRQYAHUDWTQF-WBMJQRKESA-N 1 1 381.274 2.105 20 0 GEADMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)ncc1Br ZINC000628273044 652456911 /nfs/dbraw/zinc/45/69/11/652456911.db2.gz GTVRQYAHUDWTQF-BLLLJJGKSA-N 1 1 381.274 2.105 20 0 GEADMO CN(C)S(=O)(=O)N1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628286620 652457021 /nfs/dbraw/zinc/45/70/21/652457021.db2.gz UDGZWYYBCZSHSJ-UHFFFAOYSA-N 1 1 379.448 2.062 20 0 GEADMO [NH3+][C@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1Br ZINC000662364460 652457436 /nfs/dbraw/zinc/45/74/36/652457436.db2.gz QAQVSLCPQGLPLE-KRWDZBQOSA-N 1 1 389.297 2.188 20 0 GEADMO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662378629 652458018 /nfs/dbraw/zinc/45/80/18/652458018.db2.gz CZNZNWISDNRWNB-AWEZNQCLSA-N 1 1 382.302 2.166 20 0 GEADMO O=C(NCC/C=C\c1ccc(Br)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628335019 652458082 /nfs/dbraw/zinc/45/80/82/652458082.db2.gz DDWBXSIWIHTBDY-DIIYHRTISA-N 1 1 378.314 2.359 20 0 GEADMO O=C(NCC/C=C\c1ccc(Br)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628335020 652458143 /nfs/dbraw/zinc/45/81/43/652458143.db2.gz DDWBXSIWIHTBDY-DVZSUYKVSA-N 1 1 378.314 2.359 20 0 GEADMO CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662386254 652458305 /nfs/dbraw/zinc/45/83/05/652458305.db2.gz ZZBOVSFTDFMCKF-AWEZNQCLSA-N 1 1 396.340 2.042 20 0 GEADMO CCCC(=O)NC1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662389392 652458735 /nfs/dbraw/zinc/45/87/35/652458735.db2.gz WVHSXASAZBMLFQ-MRXNPFEDSA-N 1 1 382.302 2.356 20 0 GEADMO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1O ZINC000628490632 652459641 /nfs/dbraw/zinc/45/96/41/652459641.db2.gz COQJPLVYLACEGP-RISCZKNCSA-N 1 1 384.230 2.475 20 0 GEADMO CN(C(=O)c1cccc(I)c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000755315515 652462537 /nfs/dbraw/zinc/46/25/37/652462537.db2.gz IRAIJBQHRRPUTR-NSHDSACASA-N 1 1 386.233 2.306 20 0 GEADMO CN(C(=O)c1cccc(I)c1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000755315515 652462539 /nfs/dbraw/zinc/46/25/39/652462539.db2.gz IRAIJBQHRRPUTR-NSHDSACASA-N 1 1 386.233 2.306 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662462023 652462627 /nfs/dbraw/zinc/46/26/27/652462627.db2.gz QGVKBLMUABHTLP-TYNCELHUSA-N 1 1 382.302 2.212 20 0 GEADMO C[NH2+][C@H](C(=O)NCC1(CS(C)(=O)=O)CC1)c1cccc(Cl)c1Cl ZINC000662489541 652464157 /nfs/dbraw/zinc/46/41/57/652464157.db2.gz SSRKRBWYAQKVAV-ZDUSSCGKSA-N 1 1 379.309 2.195 20 0 GEADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000582854294 652464309 /nfs/dbraw/zinc/46/43/09/652464309.db2.gz WJTIMUUIAJRLQE-OAHLLOKOSA-N 1 1 388.325 2.018 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000662497033 652464472 /nfs/dbraw/zinc/46/44/72/652464472.db2.gz QCEBJVMBEOKAFP-NHYWBVRUSA-N 1 1 393.260 2.378 20 0 GEADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(I)c1O ZINC000755404641 652464646 /nfs/dbraw/zinc/46/46/46/652464646.db2.gz HQLMVRWRYRJLIH-ZWNOBZJWSA-N 1 1 388.249 2.409 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(I)c1O ZINC000755404641 652464649 /nfs/dbraw/zinc/46/46/49/652464649.db2.gz HQLMVRWRYRJLIH-ZWNOBZJWSA-N 1 1 388.249 2.409 20 0 GEADMO Cc1nnc([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)[nH]1 ZINC000662500381 652464802 /nfs/dbraw/zinc/46/48/02/652464802.db2.gz LFNPKXGCSDJGSK-SMDDNHRTSA-N 1 1 378.274 2.282 20 0 GEADMO [NH3+][C@H](C(=O)NCCNC(=O)NC1CCCCC1)c1ccccc1Br ZINC000662501839 652464814 /nfs/dbraw/zinc/46/48/14/652464814.db2.gz GOHFZEAWUPFLDN-HNNXBMFYSA-N 1 1 397.317 2.197 20 0 GEADMO [NH3+][C@@H](C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1Br ZINC000662503983 652464894 /nfs/dbraw/zinc/46/48/94/652464894.db2.gz NFPSRFUSFARTDC-SJKOYZFVSA-N 1 1 394.313 2.499 20 0 GEADMO C[NH2+][C@@H](C(=O)NCC1CCS(=O)(=O)CC1)c1cccc(Cl)c1Cl ZINC000662506714 652465286 /nfs/dbraw/zinc/46/52/86/652465286.db2.gz DSAXWLMNZWDTEF-CQSZACIVSA-N 1 1 379.309 2.195 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1Br ZINC000662546658 652467296 /nfs/dbraw/zinc/46/72/96/652467296.db2.gz VPOMBWYVHHXZNR-RCBQFDQVSA-N 1 1 397.313 2.133 20 0 GEADMO C[NH2+][C@@H](C(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000662545376 652467343 /nfs/dbraw/zinc/46/73/43/652467343.db2.gz FUSHGZNJJBJZQY-QMTHXVAHSA-N 1 1 379.309 2.147 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1cccc(Cl)c1Cl ZINC000662618059 652469637 /nfs/dbraw/zinc/46/96/37/652469637.db2.gz TWZCSQGSIPUZEX-BHDSKKPTSA-N 1 1 379.309 2.288 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000628750120 652469893 /nfs/dbraw/zinc/46/98/93/652469893.db2.gz QKPUBANXWPJDQZ-ZDUSSCGKSA-N 1 1 392.301 2.492 20 0 GEADMO C[NH2+][C@H](C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)c1cccc(Cl)c1Cl ZINC000662658482 652470441 /nfs/dbraw/zinc/47/04/41/652470441.db2.gz ATAHSNXJLOVRFE-RBZYPMLTSA-N 1 1 379.309 2.336 20 0 GEADMO O=C(CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)Nc1cccnc1 ZINC000662707359 652471154 /nfs/dbraw/zinc/47/11/54/652471154.db2.gz KYQGFMXJRDYTHC-UHFFFAOYSA-N 1 1 395.282 2.267 20 0 GEADMO CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]([NH3+])c3ccccc3Br)c1-2 ZINC000662792427 652474576 /nfs/dbraw/zinc/47/45/76/652474576.db2.gz NJXQNFFVBFZVAC-LBPRGKRZSA-N 1 1 377.246 2.260 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)Cn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000583163875 652474663 /nfs/dbraw/zinc/47/46/63/652474663.db2.gz NRXIWGLZWIEFLQ-CJNGLKHVSA-N 1 1 377.286 2.425 20 0 GEADMO CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662871243 652477070 /nfs/dbraw/zinc/47/70/70/652477070.db2.gz KLMJUKRKVLVJKQ-SNVBAGLBSA-N 1 1 386.315 2.197 20 0 GEADMO [NH3+][C@H](C(=O)N(CCN1CCOCC1)CC1CC1)c1ccccc1Br ZINC000662911455 652478306 /nfs/dbraw/zinc/47/83/06/652478306.db2.gz TYKSKFZGZYPTBW-KRWDZBQOSA-N 1 1 396.329 2.020 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@H]1C ZINC000755933565 652481518 /nfs/dbraw/zinc/48/15/18/652481518.db2.gz POKPICWYLXMLAU-DGCLKSJQSA-N 1 1 379.254 2.462 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000583499082 652487339 /nfs/dbraw/zinc/48/73/39/652487339.db2.gz NPSMCFYIDIEGMB-QGZVFWFLSA-N 1 1 383.876 2.445 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000583499081 652487365 /nfs/dbraw/zinc/48/73/65/652487365.db2.gz NPSMCFYIDIEGMB-KRWDZBQOSA-N 1 1 383.876 2.445 20 0 GEADMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(=O)n1C ZINC000583620310 652491683 /nfs/dbraw/zinc/49/16/83/652491683.db2.gz DLUQZCMNRQGYQK-GFCCVEGCSA-N 1 1 396.329 2.403 20 0 GEADMO Cc1cc(CO)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000663317822 652494174 /nfs/dbraw/zinc/49/41/74/652494174.db2.gz GPVPQBLCRQCMRP-UHFFFAOYSA-N 1 1 381.885 2.047 20 0 GEADMO CN1C[C@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1=O ZINC000583701082 652494909 /nfs/dbraw/zinc/49/49/09/652494909.db2.gz CCHVKBPRXXAYFR-LLVKDONJSA-N 1 1 375.803 2.433 20 0 GEADMO CN1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1=O ZINC000583701082 652494911 /nfs/dbraw/zinc/49/49/11/652494911.db2.gz CCHVKBPRXXAYFR-LLVKDONJSA-N 1 1 375.803 2.433 20 0 GEADMO Cn1cc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(C(F)(F)F)n1 ZINC000583825635 652498707 /nfs/dbraw/zinc/49/87/07/652498707.db2.gz XHMRWFYGEHJDAR-UHFFFAOYSA-N 1 1 382.452 2.181 20 0 GEADMO CN(CC1=CCSC1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000663452021 652501061 /nfs/dbraw/zinc/50/10/61/652501061.db2.gz VIACJVUGVFHUIE-MRXNPFEDSA-N 1 1 380.583 2.351 20 0 GEADMO O=C(NCc1ccc(Br)s1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663694774 652508984 /nfs/dbraw/zinc/50/89/84/652508984.db2.gz YBFXJFTUCFAJFO-LBPRGKRZSA-N 1 1 388.331 2.251 20 0 GEADMO COc1cccc(OCC[NH+]2CCN(c3cc(Br)cnn3)CC2)c1 ZINC000663722688 652509978 /nfs/dbraw/zinc/50/99/78/652509978.db2.gz KNPXVCBNOCFJPS-UHFFFAOYSA-N 1 1 393.285 2.449 20 0 GEADMO CCC[C@H]1CN(c2nnc3ccc(Br)cn32)CC[N@H+]1CCOC ZINC000663759377 652511396 /nfs/dbraw/zinc/51/13/96/652511396.db2.gz RLEBJYSYJXDORW-AWEZNQCLSA-N 1 1 382.306 2.429 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1)S(C)(=O)=O ZINC000584343890 652517318 /nfs/dbraw/zinc/51/73/18/652517318.db2.gz RIJLYCVXHKCBDL-CQSZACIVSA-N 1 1 380.539 2.309 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCn1cc(Br)cn1 ZINC000584372687 652518651 /nfs/dbraw/zinc/51/86/51/652518651.db2.gz GWIHKVBIVJKUJN-KGLIPLIRSA-N 1 1 386.338 2.407 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000631060916 652519676 /nfs/dbraw/zinc/51/96/76/652519676.db2.gz AHNADLHJZWMYPM-NSHDSACASA-N 1 1 381.420 2.376 20 0 GEADMO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000664138203 652521190 /nfs/dbraw/zinc/52/11/90/652521190.db2.gz LBLLRFHASBDCRJ-ZDUSSCGKSA-N 1 1 388.555 2.026 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000664138203 652521192 /nfs/dbraw/zinc/52/11/92/652521192.db2.gz LBLLRFHASBDCRJ-ZDUSSCGKSA-N 1 1 388.555 2.026 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000584793703 652530028 /nfs/dbraw/zinc/53/00/28/652530028.db2.gz UUNIOZARBXPGJH-SNVBAGLBSA-N 1 1 395.294 2.217 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc(I)o1 ZINC000758202714 652533620 /nfs/dbraw/zinc/53/36/20/652533620.db2.gz QGVJMFSHDMNAHB-BJCHJDTNSA-N 1 1 386.233 2.496 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000631784648 652533700 /nfs/dbraw/zinc/53/37/00/652533700.db2.gz AQFLUOQCJGWHFT-UWVGGRQHSA-N 1 1 382.370 2.473 20 0 GEADMO CN(C(=O)c1ccnc(Br)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000758224384 652534277 /nfs/dbraw/zinc/53/42/77/652534277.db2.gz BCCZQSVAKQHRHP-OAHLLOKOSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccnc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000758224384 652534278 /nfs/dbraw/zinc/53/42/78/652534278.db2.gz BCCZQSVAKQHRHP-OAHLLOKOSA-N 1 1 381.318 2.085 20 0 GEADMO C[NH+]1CCN([C@@H](CNS(=O)(=O)C[C@@H]2CCC2(F)F)c2cccs2)CC1 ZINC000631795481 652534752 /nfs/dbraw/zinc/53/47/52/652534752.db2.gz JLPNBCIMGGQZHH-KBPBESRZSA-N 1 1 393.525 2.001 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337836 652537948 /nfs/dbraw/zinc/53/79/48/652537948.db2.gz SWILWVMZUPOGAG-IINYFYTJSA-N 1 1 376.400 2.193 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337836 652537952 /nfs/dbraw/zinc/53/79/52/652537952.db2.gz SWILWVMZUPOGAG-IINYFYTJSA-N 1 1 376.400 2.193 20 0 GEADMO COC(C)(C)C[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000758406143 652540095 /nfs/dbraw/zinc/54/00/95/652540095.db2.gz VSJGYAAGPJDIMI-UHFFFAOYSA-N 1 1 398.257 2.059 20 0 GEADMO COC(C)(C)C[N@@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000758406143 652540101 /nfs/dbraw/zinc/54/01/01/652540101.db2.gz VSJGYAAGPJDIMI-UHFFFAOYSA-N 1 1 398.257 2.059 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000758477489 652544108 /nfs/dbraw/zinc/54/41/08/652544108.db2.gz GOKYXJAAXXEMOA-HNNXBMFYSA-N 1 1 386.949 2.378 20 0 GEADMO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631988362 652545271 /nfs/dbraw/zinc/54/52/71/652545271.db2.gz CKOWONFMWWCDRR-MRXNPFEDSA-N 1 1 380.501 2.186 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000632057563 652547490 /nfs/dbraw/zinc/54/74/90/652547490.db2.gz ISMCSTCQKIJRCN-ZDUSSCGKSA-N 1 1 381.523 2.354 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758635351 652549181 /nfs/dbraw/zinc/54/91/81/652549181.db2.gz RLNIKKNKIAIZGP-HNNXBMFYSA-N 1 1 378.300 2.294 20 0 GEADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)s1 ZINC000665295131 652550629 /nfs/dbraw/zinc/55/06/29/652550629.db2.gz QALQTSBNNWSWQE-LLVKDONJSA-N 1 1 387.347 2.112 20 0 GEADMO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)s1 ZINC000665295131 652550632 /nfs/dbraw/zinc/55/06/32/652550632.db2.gz QALQTSBNNWSWQE-LLVKDONJSA-N 1 1 387.347 2.112 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1)C(C)C ZINC000588225839 652550837 /nfs/dbraw/zinc/55/08/37/652550837.db2.gz IUTWMCBVOGDQEP-OAHLLOKOSA-N 1 1 387.571 2.056 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000632308300 652556326 /nfs/dbraw/zinc/55/63/26/652556326.db2.gz IGXOLHSKJPTIGK-ZDUSSCGKSA-N 1 1 389.315 2.286 20 0 GEADMO COC(=O)c1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)c(C)cc1Br ZINC000588863438 652557224 /nfs/dbraw/zinc/55/72/24/652557224.db2.gz OYLRLXYPQFWFKW-LBPRGKRZSA-N 1 1 398.301 2.119 20 0 GEADMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000589130513 652559966 /nfs/dbraw/zinc/55/99/66/652559966.db2.gz UCJIDABZOAUFIB-CYBMUJFWSA-N 1 1 383.290 2.115 20 0 GEADMO O=S(=O)(CCN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000589154994 652560601 /nfs/dbraw/zinc/56/06/01/652560601.db2.gz PUGWCEVXXHKXDM-HNNXBMFYSA-N 1 1 387.343 2.393 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000632433092 652563663 /nfs/dbraw/zinc/56/36/63/652563663.db2.gz KGILJLSRCJSQQV-AWEZNQCLSA-N 1 1 388.331 2.405 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000632478299 652565955 /nfs/dbraw/zinc/56/59/55/652565955.db2.gz BLVXFZYXHFHQTQ-HNNXBMFYSA-N 1 1 389.880 2.152 20 0 GEADMO COc1cc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1Br ZINC000632479032 652566429 /nfs/dbraw/zinc/56/64/29/652566429.db2.gz XHXRIXWOPDXION-CQSZACIVSA-N 1 1 389.315 2.172 20 0 GEADMO CC(C)[N@@H+](C[C@@H](O)COc1ccc(CC(N)=O)cc1)C[C@@H]1CC1(Cl)Cl ZINC000759279353 652567954 /nfs/dbraw/zinc/56/79/54/652567954.db2.gz QZEWMJUNICELLC-LSDHHAIUSA-N 1 1 389.323 2.358 20 0 GEADMO Cc1csc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1I ZINC000590044768 652573329 /nfs/dbraw/zinc/57/33/29/652573329.db2.gz NGZBAGOPSOJWQM-UWVGGRQHSA-N 1 1 376.263 2.437 20 0 GEADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000666540617 652579107 /nfs/dbraw/zinc/57/91/07/652579107.db2.gz DXKSGLHCWKJKTK-UHFFFAOYSA-N 1 1 387.311 2.299 20 0 GEADMO Cc1cc(Br)c(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)s1 ZINC000666638916 652581912 /nfs/dbraw/zinc/58/19/12/652581912.db2.gz QRHLHRINJOXFRM-LBPRGKRZSA-N 1 1 390.347 2.465 20 0 GEADMO C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000633129459 652587032 /nfs/dbraw/zinc/58/70/32/652587032.db2.gz MPJAJLHQVMSMSO-NHYWBVRUSA-N 1 1 388.281 2.449 20 0 GEADMO C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129459 652587038 /nfs/dbraw/zinc/58/70/38/652587038.db2.gz MPJAJLHQVMSMSO-NHYWBVRUSA-N 1 1 388.281 2.449 20 0 GEADMO CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000592137552 652588498 /nfs/dbraw/zinc/58/84/98/652588498.db2.gz GRHCLIDLRWOWRD-UHFFFAOYSA-N 1 1 399.285 2.058 20 0 GEADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195404 652590466 /nfs/dbraw/zinc/59/04/66/652590466.db2.gz KAPUASLVRPBGCF-QWRGUYRKSA-N 1 1 375.252 2.178 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NCc1c(Cl)cccc1OC(F)F ZINC000633264887 652590532 /nfs/dbraw/zinc/59/05/32/652590532.db2.gz DANBKABWGBIJNS-UHFFFAOYSA-N 1 1 377.819 2.463 20 0 GEADMO CC[N@H+](CCSC)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000592203733 652591493 /nfs/dbraw/zinc/59/14/93/652591493.db2.gz ONWXZGXOYIBMNK-UHFFFAOYSA-N 1 1 381.567 2.499 20 0 GEADMO CC[N@@H+](CCSC)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000592203733 652591495 /nfs/dbraw/zinc/59/14/95/652591495.db2.gz ONWXZGXOYIBMNK-UHFFFAOYSA-N 1 1 381.567 2.499 20 0 GEADMO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000667133333 652593288 /nfs/dbraw/zinc/59/32/88/652593288.db2.gz WOQRFYPMTHFBGT-NVXWUHKLSA-N 1 1 384.318 2.136 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2c(Br)cnn2C)C1 ZINC000633428654 652596678 /nfs/dbraw/zinc/59/66/78/652596678.db2.gz ROQCSFSAQZYPJQ-ZDUSSCGKSA-N 1 1 386.338 2.350 20 0 GEADMO Cn1ncc(C(=O)N2CC[NH+](CCc3cccs3)CC2)c1Br ZINC000760183548 652598257 /nfs/dbraw/zinc/59/82/57/652598257.db2.gz NFXDCQPNCHPLTJ-UHFFFAOYSA-N 1 1 383.315 2.245 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000760237276 652600230 /nfs/dbraw/zinc/60/02/30/652600230.db2.gz KRGUBLPKEPXPBZ-NSHDSACASA-N 1 1 391.269 2.004 20 0 GEADMO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[NH+](C2CC2)CC1 ZINC000667359999 652602241 /nfs/dbraw/zinc/60/22/41/652602241.db2.gz VACFEXXBXHRSAY-CVEARBPZSA-N 1 1 380.286 2.228 20 0 GEADMO Cc1nc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)s2)cs1 ZINC000633674946 652606278 /nfs/dbraw/zinc/60/62/78/652606278.db2.gz HZOFCNDAFDPKBX-ZDUSSCGKSA-N 1 1 378.523 2.250 20 0 GEADMO O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)N1 ZINC000593031788 652612406 /nfs/dbraw/zinc/61/24/06/652612406.db2.gz NTSURGBIHKODJR-ZFWWWQNUSA-N 1 1 384.261 2.434 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)ccc1I ZINC000593032257 652612475 /nfs/dbraw/zinc/61/24/75/652612475.db2.gz PHZJWDZVQWOEHA-LLVKDONJSA-N 1 1 394.684 2.443 20 0 GEADMO CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2ccccc2Br)CCC1 ZINC000593040437 652612715 /nfs/dbraw/zinc/61/27/15/652612715.db2.gz SCFKLUGRKOAJHD-UHFFFAOYSA-N 1 1 383.286 2.439 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633978490 652623803 /nfs/dbraw/zinc/62/38/03/652623803.db2.gz HMFYLMRCCXLGHF-CQSZACIVSA-N 1 1 377.286 2.321 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761082559 652631704 /nfs/dbraw/zinc/63/17/04/652631704.db2.gz QLBAYLMYAOZFFV-NWDGAFQWSA-N 1 1 387.265 2.254 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668262722 652635652 /nfs/dbraw/zinc/63/56/52/652635652.db2.gz YWOANBWNFJAQBS-CYBMUJFWSA-N 1 1 399.285 2.061 20 0 GEADMO COCC[N@H+]1CC[C@H](N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)C1 ZINC000761253499 652638763 /nfs/dbraw/zinc/63/87/63/652638763.db2.gz JFXFKMZSKXCHEL-LSDHHAIUSA-N 1 1 396.285 2.105 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000668459498 652643136 /nfs/dbraw/zinc/64/31/36/652643136.db2.gz ICBPYELNNMPUNG-HNNXBMFYSA-N 1 1 396.329 2.097 20 0 GEADMO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cscc1Br ZINC000634657814 652648767 /nfs/dbraw/zinc/64/87/67/652648767.db2.gz CLHNGKVKWMAGMH-UHFFFAOYSA-N 1 1 379.305 2.070 20 0 GEADMO Cc1c2cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)[nH]c2ccc1Br ZINC000668582142 652649799 /nfs/dbraw/zinc/64/97/99/652649799.db2.gz SFHRCXYIVIIHNL-GFCCVEGCSA-N 1 1 379.302 2.214 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594444380 652650512 /nfs/dbraw/zinc/65/05/12/652650512.db2.gz QFNBUSYZEOWXDI-LLVKDONJSA-N 1 1 378.853 2.028 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000761568993 652651706 /nfs/dbraw/zinc/65/17/06/652651706.db2.gz NGBQXISFEQFNEP-MRVPVSSYSA-N 1 1 380.176 2.346 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[N@H+]1C ZINC000761568993 652651711 /nfs/dbraw/zinc/65/17/11/652651711.db2.gz NGBQXISFEQFNEP-MRVPVSSYSA-N 1 1 380.176 2.346 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640271 652655511 /nfs/dbraw/zinc/65/55/11/652655511.db2.gz QRIQGZZGRHRMEI-HNNXBMFYSA-N 1 1 398.320 2.415 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640271 652655520 /nfs/dbraw/zinc/65/55/20/652655520.db2.gz QRIQGZZGRHRMEI-HNNXBMFYSA-N 1 1 398.320 2.415 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(Cc3cc(Br)c4c(c3)OCCO4)CC2)C1 ZINC000668740352 652665262 /nfs/dbraw/zinc/66/52/62/652665262.db2.gz IOCYEKDIEUXBTH-OAHLLOKOSA-N 1 1 397.313 2.251 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]2c2ccc(Br)cc2)CC[N@H+]1C ZINC000668893050 652673964 /nfs/dbraw/zinc/67/39/64/652673964.db2.gz LYRUDDOUJYADAJ-UHOFOFEASA-N 1 1 394.313 2.321 20 0 GEADMO 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C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639116555 652920076 /nfs/dbraw/zinc/92/00/76/652920076.db2.gz JURAOYGRWNFTMH-DGCLKSJQSA-N 1 1 391.331 2.222 20 0 GEADMO Brc1cnc2c(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)cnn2c1 ZINC000639140726 652922477 /nfs/dbraw/zinc/92/24/77/652922477.db2.gz GONNGJRWMIKRJF-CQSZACIVSA-N 1 1 394.317 2.036 20 0 GEADMO Brc1cnc2c(CN3CCC[C@H](C[NH+]4CCOCC4)C3)cnn2c1 ZINC000639140726 652922486 /nfs/dbraw/zinc/92/24/86/652922486.db2.gz GONNGJRWMIKRJF-CQSZACIVSA-N 1 1 394.317 2.036 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)s1 ZINC000639199202 652926985 /nfs/dbraw/zinc/92/69/85/652926985.db2.gz VWDGPRFNFUAURA-GOSISDBHSA-N 1 1 380.535 2.213 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)s1 ZINC000639199202 652926991 /nfs/dbraw/zinc/92/69/91/652926991.db2.gz VWDGPRFNFUAURA-GOSISDBHSA-N 1 1 380.535 2.213 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1Br ZINC000639287741 652930506 /nfs/dbraw/zinc/93/05/06/652930506.db2.gz DDDQBYYJDLIHCC-GFCCVEGCSA-N 1 1 391.331 2.081 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1Br ZINC000639287741 652930507 /nfs/dbraw/zinc/93/05/07/652930507.db2.gz DDDQBYYJDLIHCC-GFCCVEGCSA-N 1 1 391.331 2.081 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600783466 652933963 /nfs/dbraw/zinc/93/39/63/652933963.db2.gz KCFHVLHLZSLRAA-CYBMUJFWSA-N 1 1 389.315 2.315 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000600783466 652933969 /nfs/dbraw/zinc/93/39/69/652933969.db2.gz KCFHVLHLZSLRAA-CYBMUJFWSA-N 1 1 389.315 2.315 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000639359122 652934195 /nfs/dbraw/zinc/93/41/95/652934195.db2.gz ACYPRRFNPSQOJW-CYBMUJFWSA-N 1 1 378.878 2.401 20 0 GEADMO Oc1ccc(Br)c(CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000639391654 652935966 /nfs/dbraw/zinc/93/59/66/652935966.db2.gz IDFYTJADTKEHML-UHFFFAOYSA-N 1 1 377.286 2.305 20 0 GEADMO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000767668278 652940638 /nfs/dbraw/zinc/94/06/38/652940638.db2.gz OCBCBXJBVRXZQJ-AWEZNQCLSA-N 1 1 381.885 2.296 20 0 GEADMO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000767668278 652940643 /nfs/dbraw/zinc/94/06/43/652940643.db2.gz OCBCBXJBVRXZQJ-AWEZNQCLSA-N 1 1 381.885 2.296 20 0 GEADMO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639521283 652940528 /nfs/dbraw/zinc/94/05/28/652940528.db2.gz MXSGDLWDJMGBPT-MCIONIFRSA-N 1 1 384.464 2.185 20 0 GEADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639521283 652940532 /nfs/dbraw/zinc/94/05/32/652940532.db2.gz MXSGDLWDJMGBPT-MCIONIFRSA-N 1 1 384.464 2.185 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639551409 652941197 /nfs/dbraw/zinc/94/11/97/652941197.db2.gz NETPQWLXRWUBFR-QGZVFWFLSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639551409 652941203 /nfs/dbraw/zinc/94/12/03/652941203.db2.gz NETPQWLXRWUBFR-QGZVFWFLSA-N 1 1 390.355 2.302 20 0 GEADMO CCn1nccc1C[N@H+](CCO)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639619823 652944303 /nfs/dbraw/zinc/94/43/03/652944303.db2.gz VJXIRZUIITXIHA-MRXNPFEDSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639619823 652944305 /nfs/dbraw/zinc/94/43/05/652944305.db2.gz VJXIRZUIITXIHA-MRXNPFEDSA-N 1 1 388.295 2.444 20 0 GEADMO C[N@H+](CCCn1ccnc1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000767754726 652948665 /nfs/dbraw/zinc/94/86/65/652948665.db2.gz GHLKKNXQLXHOGA-INIZCTEOSA-N 1 1 381.889 2.345 20 0 GEADMO C[N@@H+](CCCn1ccnc1)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000767754726 652948670 /nfs/dbraw/zinc/94/86/70/652948670.db2.gz GHLKKNXQLXHOGA-INIZCTEOSA-N 1 1 381.889 2.345 20 0 GEADMO C[C@H]1COCC[N@@H+]1CCNc1ncnc2cccc(I)c21 ZINC000613044830 652951038 /nfs/dbraw/zinc/95/10/38/652951038.db2.gz IILJMVZKIPVMGJ-NSHDSACASA-N 1 1 398.248 2.367 20 0 GEADMO C[C@H]1COCC[N@H+]1CCNc1ncnc2cccc(I)c21 ZINC000613044830 652951039 /nfs/dbraw/zinc/95/10/39/652951039.db2.gz IILJMVZKIPVMGJ-NSHDSACASA-N 1 1 398.248 2.367 20 0 GEADMO CN(C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761567 652952229 /nfs/dbraw/zinc/95/22/29/652952229.db2.gz NKCYKUAADNJSQE-KRWDZBQOSA-N 1 1 384.318 2.166 20 0 GEADMO CN(C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000639761567 652952235 /nfs/dbraw/zinc/95/22/35/652952235.db2.gz NKCYKUAADNJSQE-KRWDZBQOSA-N 1 1 384.318 2.166 20 0 GEADMO Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)no1 ZINC000639771366 652953408 /nfs/dbraw/zinc/95/34/08/652953408.db2.gz BWCSUVANMWOTPO-CYBMUJFWSA-N 1 1 395.257 2.622 20 0 GEADMO Nc1nnc([C@H]2CCC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000639823323 652957601 /nfs/dbraw/zinc/95/76/01/652957601.db2.gz BAGOGQTYTVEORN-JQWIXIFHSA-N 1 1 387.267 2.578 20 0 GEADMO C[S@@](=O)C1(CNc2nc(NCC3([S@@](C)=O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000619652296 652988970 /nfs/dbraw/zinc/98/89/70/652988970.db2.gz MWHSAAYYCOQJKG-DQEYMECFSA-N 1 1 382.555 2.000 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639826586 653085800 /nfs/dbraw/zinc/08/58/00/653085800.db2.gz UKZROZAKLUTUNR-MNOVXSKESA-N 1 1 394.273 2.621 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639826586 653085803 /nfs/dbraw/zinc/08/58/03/653085803.db2.gz UKZROZAKLUTUNR-MNOVXSKESA-N 1 1 394.273 2.621 20 0 GEADMO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855318 653086521 /nfs/dbraw/zinc/08/65/21/653086521.db2.gz BLNNHXZVYWEAPD-MRXNPFEDSA-N 1 1 395.301 2.383 20 0 GEADMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@]1(C)CO ZINC000639891676 653087862 /nfs/dbraw/zinc/08/78/62/653087862.db2.gz LYDFIMCREHTBKP-OIISXLGYSA-N 1 1 378.296 2.046 20 0 GEADMO Cc1cc(Br)c2c(c1)CC[N@@H+](C[C@@H](O)CC1(O)CCOCC1)C2 ZINC000639910787 653088071 /nfs/dbraw/zinc/08/80/71/653088071.db2.gz IGKGWUQQMUBWOI-HNNXBMFYSA-N 1 1 384.314 2.408 20 0 GEADMO Cc1cc(Br)c2c(c1)CC[N@H+](C[C@@H](O)CC1(O)CCOCC1)C2 ZINC000639910787 653088074 /nfs/dbraw/zinc/08/80/74/653088074.db2.gz IGKGWUQQMUBWOI-HNNXBMFYSA-N 1 1 384.314 2.408 20 0 GEADMO COCc1ncc2c(n1)CC[N@@H+](Cc1cc(OC)ncc1Br)C2 ZINC000639913694 653088079 /nfs/dbraw/zinc/08/80/79/653088079.db2.gz SAJHBEDCJRPADA-UHFFFAOYSA-N 1 1 379.258 2.347 20 0 GEADMO COCc1ncc2c(n1)CC[N@H+](Cc1cc(OC)ncc1Br)C2 ZINC000639913694 653088081 /nfs/dbraw/zinc/08/80/81/653088081.db2.gz SAJHBEDCJRPADA-UHFFFAOYSA-N 1 1 379.258 2.347 20 0 GEADMO C[C@]12C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000639955098 653089638 /nfs/dbraw/zinc/08/96/38/653089638.db2.gz XYXMQXBGCFOUOJ-CALCHBBNSA-N 1 1 384.263 2.307 20 0 GEADMO COc1cc(NC(=O)NCC[NH+]2CCSCC2)ncc1Br ZINC000639966137 653090945 /nfs/dbraw/zinc/09/09/45/653090945.db2.gz DRPRIJSIHRJFCV-UHFFFAOYSA-N 1 1 375.292 2.023 20 0 GEADMO Cc1ncc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000639995625 653092656 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GEADMO C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000767910319 653095385 /nfs/dbraw/zinc/09/53/85/653095385.db2.gz CHKXAGMAOKYIOA-GZMMTYOYSA-N 1 1 377.670 2.338 20 0 GEADMO C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000767910319 653095389 /nfs/dbraw/zinc/09/53/89/653095389.db2.gz CHKXAGMAOKYIOA-GZMMTYOYSA-N 1 1 377.670 2.338 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnc(Cl)c(Br)c1 ZINC000767912732 653095769 /nfs/dbraw/zinc/09/57/69/653095769.db2.gz JDPTUGMYTMUQIB-WDEREUQCSA-N 1 1 389.681 2.482 20 0 GEADMO Cc1nn(C)c(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1Br ZINC000640166774 653100676 /nfs/dbraw/zinc/10/06/76/653100676.db2.gz FFKXMGDOAARARH-NSHDSACASA-N 1 1 388.310 2.113 20 0 GEADMO CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676634128 653102488 /nfs/dbraw/zinc/10/24/88/653102488.db2.gz SHOVKYYOYNXNHL-NWDGAFQWSA-N 1 1 382.309 2.242 20 0 GEADMO CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676634128 653102492 /nfs/dbraw/zinc/10/24/92/653102492.db2.gz SHOVKYYOYNXNHL-NWDGAFQWSA-N 1 1 382.309 2.242 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@H+]1C ZINC000768177465 653104155 /nfs/dbraw/zinc/10/41/55/653104155.db2.gz TWWZAFZZLJGUTO-DTWKUNHWSA-N 1 1 389.681 2.035 20 0 GEADMO C[NH+]1CCN([C@@H](C(=O)NCC(F)(F)Br)c2ccccc2)CC1 ZINC000805247508 653107190 /nfs/dbraw/zinc/10/71/90/653107190.db2.gz KVYGSONLAFTCNM-CYBMUJFWSA-N 1 1 376.245 2.079 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1Br ZINC000640309631 653114147 /nfs/dbraw/zinc/11/41/47/653114147.db2.gz KHCJKGHOLRTIPY-ZDUSSCGKSA-N 1 1 392.301 2.921 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1Br ZINC000640309631 653114152 /nfs/dbraw/zinc/11/41/52/653114152.db2.gz KHCJKGHOLRTIPY-ZDUSSCGKSA-N 1 1 392.301 2.921 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)Nc2nn(C)cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000640315631 653118812 /nfs/dbraw/zinc/11/88/12/653118812.db2.gz RJDTXANPNTYKGO-DOMZBBRYSA-N 1 1 392.301 2.967 20 0 GEADMO CN(C1CC1)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677808716 653122611 /nfs/dbraw/zinc/12/26/11/653122611.db2.gz PCQGFLAOEYWHLJ-MLGOLLRUSA-N 1 1 375.897 2.401 20 0 GEADMO CN(C1CC1)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677808716 653122617 /nfs/dbraw/zinc/12/26/17/653122617.db2.gz PCQGFLAOEYWHLJ-MLGOLLRUSA-N 1 1 375.897 2.401 20 0 GEADMO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000678078178 653125836 /nfs/dbraw/zinc/12/58/36/653125836.db2.gz RVUBOWHTJPWBRX-ZDUSSCGKSA-N 1 1 385.917 2.210 20 0 GEADMO CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000678078178 653125839 /nfs/dbraw/zinc/12/58/39/653125839.db2.gz RVUBOWHTJPWBRX-ZDUSSCGKSA-N 1 1 385.917 2.210 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCSC(F)(F)F)C1 ZINC000805637222 653126206 /nfs/dbraw/zinc/12/62/06/653126206.db2.gz JTVALMUIYOMJAJ-LBPRGKRZSA-N 1 1 383.480 2.372 20 0 GEADMO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678113138 653127367 /nfs/dbraw/zinc/12/73/67/653127367.db2.gz URRUWIBMTKKXGW-HOTGVXAUSA-N 1 1 382.302 2.266 20 0 GEADMO C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)n1cc(Br)cn1 ZINC000640514277 653128266 /nfs/dbraw/zinc/12/82/66/653128266.db2.gz ZWEVHYROIGFNGK-BPLDGKMQSA-N 1 1 399.333 2.212 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)CC2)C1 ZINC000768836843 653129909 /nfs/dbraw/zinc/12/99/09/653129909.db2.gz ZOIILARWKVZIBM-JBMKGCFVSA-N 1 1 383.945 2.352 20 0 GEADMO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000640566051 653131525 /nfs/dbraw/zinc/13/15/25/653131525.db2.gz LEVOMFVONHNPCJ-UHFFFAOYSA-N 1 1 382.511 2.142 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000678887147 653133218 /nfs/dbraw/zinc/13/32/18/653133218.db2.gz MCYMJCVGBQZDSO-CQSZACIVSA-N 1 1 388.917 2.057 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000678887147 653133225 /nfs/dbraw/zinc/13/32/25/653133225.db2.gz MCYMJCVGBQZDSO-CQSZACIVSA-N 1 1 388.917 2.057 20 0 GEADMO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc(I)c1OC ZINC000601974020 653134367 /nfs/dbraw/zinc/13/43/67/653134367.db2.gz GXVAJIIEMOAYDS-TXEJJXNPSA-N 1 1 389.233 2.387 20 0 GEADMO CC[N@@H+]1[C@H](C)CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H]1C ZINC000640606566 653134340 /nfs/dbraw/zinc/13/43/40/653134340.db2.gz JKXCAQAPHNMRBG-TXEJJXNPSA-N 1 1 386.290 2.055 20 0 GEADMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc(I)c1OC ZINC000601974020 653134371 /nfs/dbraw/zinc/13/43/71/653134371.db2.gz GXVAJIIEMOAYDS-TXEJJXNPSA-N 1 1 389.233 2.387 20 0 GEADMO O=C1[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCN1C1CCOCC1 ZINC000678935549 653134742 /nfs/dbraw/zinc/13/47/42/653134742.db2.gz HRUFTLOXIFWEIY-AWEZNQCLSA-N 1 1 397.269 2.047 20 0 GEADMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(C)(C)CO)CC2)c(Br)c1 ZINC000679318063 653143656 /nfs/dbraw/zinc/14/36/56/653143656.db2.gz OBKSKWGLAKZMDA-AWEZNQCLSA-N 1 1 399.329 2.440 20 0 GEADMO Cn1c(Cl)ncc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000769402440 653152831 /nfs/dbraw/zinc/15/28/31/653152831.db2.gz JBIAFNZRHDHEME-GFCCVEGCSA-N 1 1 388.946 2.326 20 0 GEADMO O=C(C[NH2+][C@H](CCO)c1ccccc1Br)N1CCOC[C@@H]1C1CC1 ZINC000679833328 653154643 /nfs/dbraw/zinc/15/46/43/653154643.db2.gz REIDAWAMBOTFHC-IAGOWNOFSA-N 1 1 397.313 2.100 20 0 GEADMO COc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)ccc1OC(F)F ZINC000679899981 653157673 /nfs/dbraw/zinc/15/76/73/653157673.db2.gz NPIVCAFTADVVAJ-UHFFFAOYSA-N 1 1 378.422 2.295 20 0 GEADMO C[C@H](CNC(=O)c1nn(C)cc1I)[N@H+]1CCCC[C@H]1C ZINC000602241373 653161108 /nfs/dbraw/zinc/16/11/08/653161108.db2.gz DNHWLKRXDCYFJQ-GHMZBOCLSA-N 1 1 390.269 2.017 20 0 GEADMO CC(C)c1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n[nH]1 ZINC000641171705 653165226 /nfs/dbraw/zinc/16/52/26/653165226.db2.gz VOSUDAJVFPGJAZ-AWEZNQCLSA-N 1 1 376.262 2.379 20 0 GEADMO Cc1[nH+]ccn1Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641197269 653169020 /nfs/dbraw/zinc/16/90/20/653169020.db2.gz WEWKDIXAYGTTKR-OAHLLOKOSA-N 1 1 392.257 2.034 20 0 GEADMO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2=O)ccc1Br ZINC000680941011 653174626 /nfs/dbraw/zinc/17/46/26/653174626.db2.gz PPPLWJREQSLPBF-CVEARBPZSA-N 1 1 394.313 2.463 20 0 GEADMO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2=O)ccc1Br ZINC000680941011 653174630 /nfs/dbraw/zinc/17/46/30/653174630.db2.gz PPPLWJREQSLPBF-CVEARBPZSA-N 1 1 394.313 2.463 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000806787193 653175201 /nfs/dbraw/zinc/17/52/01/653175201.db2.gz GEWKRZJAWLGPPW-NEPJUHHUSA-N 1 1 388.281 2.185 20 0 GEADMO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000772979564 653175709 /nfs/dbraw/zinc/17/57/09/653175709.db2.gz RXZRFMIYCLKMGF-VIFPVBQESA-N 1 1 388.383 2.479 20 0 GEADMO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000772979560 653175809 /nfs/dbraw/zinc/17/58/09/653175809.db2.gz RXZRFMIYCLKMGF-SECBINFHSA-N 1 1 388.383 2.479 20 0 GEADMO C[NH+]1CCN(CCCCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641290486 653179697 /nfs/dbraw/zinc/17/96/97/653179697.db2.gz XMGYGOYHESFEQG-UHFFFAOYSA-N 1 1 396.255 2.697 20 0 GEADMO C[NH+]1CCN([C@H](CNS(=O)(=O)C[C@@]2(C)CC2(F)F)c2cccs2)CC1 ZINC000641296605 653180899 /nfs/dbraw/zinc/18/08/99/653180899.db2.gz ZDQGHWRGHBIKPB-UKRRQHHQSA-N 1 1 393.525 2.001 20 0 GEADMO C[NH+]1CCN([C@H](CNS(=O)(=O)C[C@]2(C)CC2(F)F)c2cccs2)CC1 ZINC000641296604 653181123 /nfs/dbraw/zinc/18/11/23/653181123.db2.gz ZDQGHWRGHBIKPB-HIFRSBDPSA-N 1 1 393.525 2.001 20 0 GEADMO COCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000681481082 653182590 /nfs/dbraw/zinc/18/25/90/653182590.db2.gz MKZWCVNHYFUAFE-UHFFFAOYSA-N 1 1 385.302 2.432 20 0 GEADMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000773308041 653192071 /nfs/dbraw/zinc/19/20/71/653192071.db2.gz IXXDLINWGPKTTJ-AWEZNQCLSA-N 1 1 376.507 2.316 20 0 GEADMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000773308041 653192073 /nfs/dbraw/zinc/19/20/73/653192073.db2.gz IXXDLINWGPKTTJ-AWEZNQCLSA-N 1 1 376.507 2.316 20 0 GEADMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602620574 653195084 /nfs/dbraw/zinc/19/50/84/653195084.db2.gz MKOLXLFSTJIRAL-ZIAGYGMSSA-N 1 1 397.273 2.034 20 0 GEADMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602620574 653195087 /nfs/dbraw/zinc/19/50/87/653195087.db2.gz MKOLXLFSTJIRAL-ZIAGYGMSSA-N 1 1 397.273 2.034 20 0 GEADMO COC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000602630564 653196534 /nfs/dbraw/zinc/19/65/34/653196534.db2.gz AEZXUDZOKOWISV-OWCLPIDISA-N 1 1 385.302 2.362 20 0 GEADMO COC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000602630564 653196540 /nfs/dbraw/zinc/19/65/40/653196540.db2.gz AEZXUDZOKOWISV-OWCLPIDISA-N 1 1 385.302 2.362 20 0 GEADMO COc1cc(CS(=O)(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000641384796 653196581 /nfs/dbraw/zinc/19/65/81/653196581.db2.gz XLYYLJNWGPCBCL-HNNXBMFYSA-N 1 1 381.523 2.188 20 0 GEADMO COc1cc(C[C@H](C)[NH2+]Cc2nn(C)cc2I)ccn1 ZINC000602684599 653200642 /nfs/dbraw/zinc/20/06/42/653200642.db2.gz PARRTCZLOUCWPG-JTQLQIEISA-N 1 1 386.237 2.149 20 0 GEADMO NC(=O)c1nccnc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000641443146 653206447 /nfs/dbraw/zinc/20/64/47/653206447.db2.gz UZSXVOCXIQQTBM-UHFFFAOYSA-N 1 1 390.285 2.415 20 0 GEADMO CCOC(=O)c1ncc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)s1 ZINC000602805007 653207773 /nfs/dbraw/zinc/20/77/73/653207773.db2.gz JHRYEYUPPLOYCU-NSHDSACASA-N 1 1 383.495 2.079 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493318 653214896 /nfs/dbraw/zinc/21/48/96/653214896.db2.gz BTUWUQGVFJGARX-GFCCVEGCSA-N 1 1 388.737 2.397 20 0 GEADMO C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000682514240 653216704 /nfs/dbraw/zinc/21/67/04/653216704.db2.gz MJRSARZQIDWTDU-HZMBPMFUSA-N 1 1 375.694 2.480 20 0 GEADMO C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682514240 653216712 /nfs/dbraw/zinc/21/67/12/653216712.db2.gz MJRSARZQIDWTDU-HZMBPMFUSA-N 1 1 375.694 2.480 20 0 GEADMO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1CCO ZINC000682535836 653217760 /nfs/dbraw/zinc/21/77/60/653217760.db2.gz LHRMKWHNTBFZRQ-NSHDSACASA-N 1 1 375.694 2.170 20 0 GEADMO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Cl)c2)CC[N@H+]1CCO ZINC000682535836 653217766 /nfs/dbraw/zinc/21/77/66/653217766.db2.gz LHRMKWHNTBFZRQ-NSHDSACASA-N 1 1 375.694 2.170 20 0 GEADMO COC(=O)C[C@@]1([NH2+]Cc2ccccc2I)CCCOC1 ZINC000770675141 653220021 /nfs/dbraw/zinc/22/00/21/653220021.db2.gz CIAZRLHWUXTSFQ-HNNXBMFYSA-N 1 1 389.233 2.493 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000770744514 653223679 /nfs/dbraw/zinc/22/36/79/653223679.db2.gz BLHIVSASIDPUFS-NSHDSACASA-N 1 1 386.265 2.436 20 0 GEADMO COC(=O)c1nn(C[N@H+](C)CCn2cc(Br)cn2)c2ccccc21 ZINC000808242974 653223977 /nfs/dbraw/zinc/22/39/77/653223977.db2.gz RHAJJGLZWXICCL-UHFFFAOYSA-N 1 1 392.257 2.371 20 0 GEADMO COC(=O)c1nn(C[N@@H+](C)CCn2cc(Br)cn2)c2ccccc21 ZINC000808242974 653223983 /nfs/dbraw/zinc/22/39/83/653223983.db2.gz RHAJJGLZWXICCL-UHFFFAOYSA-N 1 1 392.257 2.371 20 0 GEADMO COC(=O)[C@@H]([NH2+]CCCNC(=O)c1oc(Br)cc1C)C(C)C ZINC000603063974 653225362 /nfs/dbraw/zinc/22/53/62/653225362.db2.gz XQAQKSZRTPCVQW-LBPRGKRZSA-N 1 1 375.263 2.258 20 0 GEADMO COc1cc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)sn1 ZINC000641642361 653226760 /nfs/dbraw/zinc/22/67/60/653226760.db2.gz VXJZYENBXORCIZ-OAHLLOKOSA-N 1 1 381.523 2.154 20 0 GEADMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000641647245 653227476 /nfs/dbraw/zinc/22/74/76/653227476.db2.gz KPHMDPCAQQYACE-UHFFFAOYSA-N 1 1 379.448 2.011 20 0 GEADMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000641647288 653227673 /nfs/dbraw/zinc/22/76/73/653227673.db2.gz LSSVRIGCMOQAJK-UHFFFAOYSA-N 1 1 379.448 2.011 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000683236952 653231922 /nfs/dbraw/zinc/23/19/22/653231922.db2.gz DSMLPZMAOHGBEY-CQSZACIVSA-N 1 1 398.276 2.143 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2C)C[C@@H]1C 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ZINC000903229688 654229786 /nfs/dbraw/zinc/22/97/86/654229786.db2.gz MQXAFQHHVBTMQV-SNVBAGLBSA-N 1 1 388.433 2.293 20 0 GEADMO O=C1[C@@H]([N@@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc(Br)c1 ZINC000852296572 654230752 /nfs/dbraw/zinc/23/07/52/654230752.db2.gz XYPYNEKDYMZTDM-INIZCTEOSA-N 1 1 390.281 2.424 20 0 GEADMO O=C1[C@@H]([N@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc(Br)c1 ZINC000852296572 654230759 /nfs/dbraw/zinc/23/07/59/654230759.db2.gz XYPYNEKDYMZTDM-INIZCTEOSA-N 1 1 390.281 2.424 20 0 GEADMO O=C(NCCn1cc(Br)cn1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852332244 654232581 /nfs/dbraw/zinc/23/25/81/654232581.db2.gz HCWMYSLSNOHKTG-CQSZACIVSA-N 1 1 384.322 2.067 20 0 GEADMO Cc1[nH+]ccn1CCCC(=O)Nc1nc(CC2N=NC(=S)N2C)cs1 ZINC000921060113 654233902 /nfs/dbraw/zinc/23/39/02/654233902.db2.gz AYEFWZMYIYEPIU-UHFFFAOYSA-N 1 1 377.499 2.075 20 0 GEADMO COc1ccnc([C@@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000903326894 654234867 /nfs/dbraw/zinc/23/48/67/654234867.db2.gz VQVAVHFXOQTLLP-OTYXRUKQSA-N 1 1 377.242 2.462 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000802732505 654237968 /nfs/dbraw/zinc/23/79/68/654237968.db2.gz MSDGDFVMOTWZNZ-CYBMUJFWSA-N 1 1 381.270 2.447 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000802732505 654237973 /nfs/dbraw/zinc/23/79/73/654237973.db2.gz MSDGDFVMOTWZNZ-CYBMUJFWSA-N 1 1 381.270 2.447 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000802738425 654239027 /nfs/dbraw/zinc/23/90/27/654239027.db2.gz NHCOTOKBVCTNSB-UHFFFAOYSA-N 1 1 390.285 2.366 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1CC1(Cl)Cl ZINC000921287465 654242477 /nfs/dbraw/zinc/24/24/77/654242477.db2.gz UXEIOTPIBJEBLX-GFCCVEGCSA-N 1 1 386.279 2.215 20 0 GEADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000832188085 654243769 /nfs/dbraw/zinc/24/37/69/654243769.db2.gz UIYCQPIFRJPGPZ-CYBMUJFWSA-N 1 1 376.469 2.462 20 0 GEADMO COc1ccc(NC(=O)CC[N@@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000852625057 654250254 /nfs/dbraw/zinc/25/02/54/654250254.db2.gz FZJRGKQEUMIOIK-UHFFFAOYSA-N 1 1 379.258 2.499 20 0 GEADMO COc1ccc(NC(=O)CC[N@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000852625057 654250260 /nfs/dbraw/zinc/25/02/60/654250260.db2.gz FZJRGKQEUMIOIK-UHFFFAOYSA-N 1 1 379.258 2.499 20 0 GEADMO CC(C)N1C(=S)N=NC1CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000852804482 654261123 /nfs/dbraw/zinc/26/11/23/654261123.db2.gz QKLDDAHUGIUVGL-CYBMUJFWSA-N 1 1 398.330 2.269 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000832384535 654263430 /nfs/dbraw/zinc/26/34/30/654263430.db2.gz NNCFJOLGRMUULF-AWEZNQCLSA-N 1 1 382.917 2.216 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000832384535 654263433 /nfs/dbraw/zinc/26/34/33/654263433.db2.gz NNCFJOLGRMUULF-AWEZNQCLSA-N 1 1 382.917 2.216 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852881805 654265423 /nfs/dbraw/zinc/26/54/23/654265423.db2.gz QDRNASYRIQOAPX-INIZCTEOSA-N 1 1 381.249 2.408 20 0 GEADMO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)C(=O)N(C)c1ccc(C)cc1 ZINC000871871446 654271547 /nfs/dbraw/zinc/27/15/47/654271547.db2.gz NSMHERWPTMURLT-OAHLLOKOSA-N 1 1 381.523 2.235 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC000853042043 654274031 /nfs/dbraw/zinc/27/40/31/654274031.db2.gz HYCNVCVDTILAGQ-UHFFFAOYSA-N 1 1 385.946 2.463 20 0 GEADMO Brc1c[nH]c(C[NH2+]CCCN2CCN(c3ccccc3)CC2)n1 ZINC000921515944 654277630 /nfs/dbraw/zinc/27/76/30/654277630.db2.gz VIRHHAMINQFTDS-UHFFFAOYSA-N 1 1 378.318 2.474 20 0 GEADMO CCn1c(C[NH2+]CCC(=O)NC(C)C)nc(Br)c1Br ZINC000921523995 654278078 /nfs/dbraw/zinc/27/80/78/654278078.db2.gz AIHMWTZOZIXIRU-UHFFFAOYSA-N 1 1 396.127 2.432 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000891308707 654281188 /nfs/dbraw/zinc/28/11/88/654281188.db2.gz SKOXHLGLOMZOIA-SNVBAGLBSA-N 1 1 379.766 2.388 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000891308707 654281191 /nfs/dbraw/zinc/28/11/91/654281191.db2.gz SKOXHLGLOMZOIA-SNVBAGLBSA-N 1 1 379.766 2.388 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000891306863 654281340 /nfs/dbraw/zinc/28/13/40/654281340.db2.gz QLWPYRSUZCIWOU-CYBMUJFWSA-N 1 1 398.301 2.385 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000891306863 654281348 /nfs/dbraw/zinc/28/13/48/654281348.db2.gz QLWPYRSUZCIWOU-CYBMUJFWSA-N 1 1 398.301 2.385 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000891307699 654281475 /nfs/dbraw/zinc/28/14/75/654281475.db2.gz DAOOIJTXMQACNG-SECBINFHSA-N 1 1 392.656 2.391 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000891307699 654281480 /nfs/dbraw/zinc/28/14/80/654281480.db2.gz DAOOIJTXMQACNG-SECBINFHSA-N 1 1 392.656 2.391 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000891307610 654281526 /nfs/dbraw/zinc/28/15/26/654281526.db2.gz CPLGSWRAWFCPDK-LLVKDONJSA-N 1 1 391.269 2.146 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000891307610 654281534 /nfs/dbraw/zinc/28/15/34/654281534.db2.gz CPLGSWRAWFCPDK-LLVKDONJSA-N 1 1 391.269 2.146 20 0 GEADMO CCCCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673487 654286310 /nfs/dbraw/zinc/28/63/10/654286310.db2.gz STRUNSIRUIZSGL-AWEZNQCLSA-N 1 1 386.290 2.040 20 0 GEADMO CCCCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673487 654286315 /nfs/dbraw/zinc/28/63/15/654286315.db2.gz STRUNSIRUIZSGL-AWEZNQCLSA-N 1 1 386.290 2.040 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)c1cccc(F)c1 ZINC000853234648 654288186 /nfs/dbraw/zinc/28/81/86/654288186.db2.gz ANPRCIIRCWUHKK-CANCMXDXSA-N 1 1 383.411 2.039 20 0 GEADMO Brc1cccc2c1C[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)CO2 ZINC000903937047 654292363 /nfs/dbraw/zinc/29/23/63/654292363.db2.gz AJSPUHCPVFALBP-QWHCGFSZSA-N 1 1 392.301 2.058 20 0 GEADMO Cn1cc[nH+]c1N1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853355566 654293477 /nfs/dbraw/zinc/29/34/77/654293477.db2.gz QSJKRFDTYCMFSN-UHFFFAOYSA-N 1 1 396.680 2.434 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@@H](C)C1 ZINC000853485999 654298658 /nfs/dbraw/zinc/29/86/58/654298658.db2.gz OYGYMGLPRKVHPH-IUCAKERBSA-N 1 1 388.697 2.265 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000891523683 654298778 /nfs/dbraw/zinc/29/87/78/654298778.db2.gz CMEVRLVQJLLXGZ-AWEZNQCLSA-N 1 1 397.317 2.432 20 0 GEADMO CC1(C)CN(c2nc(Cl)nc3c(Br)c[nH]c32)CC[N@H+]1CCO ZINC000853511530 654300186 /nfs/dbraw/zinc/30/01/86/654300186.db2.gz QKWMQQHGAYTAHG-UHFFFAOYSA-N 1 1 388.697 2.267 20 0 GEADMO Cn1ncc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1C1CC1 ZINC000891544625 654300205 /nfs/dbraw/zinc/30/02/05/654300205.db2.gz ZEJNRMXXBDUXRM-UHFFFAOYSA-N 1 1 380.539 2.302 20 0 GEADMO CCN(C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000891594881 654301873 /nfs/dbraw/zinc/30/18/73/654301873.db2.gz VDIIDQCKYAAVHE-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO CCN(C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CC[NH2+]C1 ZINC000891594881 654301876 /nfs/dbraw/zinc/30/18/76/654301876.db2.gz VDIIDQCKYAAVHE-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(Br)ncc1Cl ZINC000833558992 654307743 /nfs/dbraw/zinc/30/77/43/654307743.db2.gz IYAKSWJOYXAMKF-JTQLQIEISA-N 1 1 376.682 2.074 20 0 GEADMO C[N@H+]1C[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)C[C@]2(C)C1 ZINC000904437842 654310685 /nfs/dbraw/zinc/31/06/85/654310685.db2.gz VIZJTBMMWVTUNQ-HWPZZCPQSA-N 1 1 384.249 2.337 20 0 GEADMO Brc1cccc([C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCOC2)c1 ZINC000872067281 654313034 /nfs/dbraw/zinc/31/30/34/654313034.db2.gz XFMVIKNDBAQAHP-DYVFJYSZSA-N 1 1 393.285 2.438 20 0 GEADMO [NH3+][C@@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)C(F)F ZINC000904664710 654314793 /nfs/dbraw/zinc/31/47/93/654314793.db2.gz HVVFAHYIWNXSKR-VIFPVBQESA-N 1 1 390.184 2.329 20 0 GEADMO [NH3+][C@@H](Cc1nc(COc2ccc(I)cc2)no1)C(F)F ZINC000904707626 654317134 /nfs/dbraw/zinc/31/71/34/654317134.db2.gz JHLVHCNHLWYWHS-VIFPVBQESA-N 1 1 395.147 2.388 20 0 GEADMO Cc1cccc(CN[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000921747092 654317597 /nfs/dbraw/zinc/31/75/97/654317597.db2.gz LXIVWGQIUAIPBZ-KRWDZBQOSA-N 1 1 382.346 2.254 20 0 GEADMO Cc1cccc(CN[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1Br ZINC000921747092 654317606 /nfs/dbraw/zinc/31/76/06/654317606.db2.gz LXIVWGQIUAIPBZ-KRWDZBQOSA-N 1 1 382.346 2.254 20 0 GEADMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)C1 ZINC000891923621 654318747 /nfs/dbraw/zinc/31/87/47/654318747.db2.gz PONGZIGQNPEXJB-XLMAVXFVSA-N 1 1 386.378 2.472 20 0 GEADMO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000872242232 654318919 /nfs/dbraw/zinc/31/89/19/654318919.db2.gz IUJRUSJQLQXDBY-GFCCVEGCSA-N 1 1 393.175 2.126 20 0 GEADMO O=C1CC2(CCOCC2)[N@H+](Cc2cc3c(c(Br)c2)OCO3)CCN1 ZINC000872288706 654321606 /nfs/dbraw/zinc/32/16/06/654321606.db2.gz FRDKDEQJTHPBQV-UHFFFAOYSA-N 1 1 397.269 2.049 20 0 GEADMO O=C1CC2(CCOCC2)[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CCN1 ZINC000872288706 654321613 /nfs/dbraw/zinc/32/16/13/654321613.db2.gz 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COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[C@H](N)C23CCC3)c1 ZINC000925569233 654546381 /nfs/dbraw/zinc/54/63/81/654546381.db2.gz ZRZIHRJBXZKHTP-JKSUJKDBSA-N 1 1 396.329 2.437 20 0 GEADMO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925690316 654548029 /nfs/dbraw/zinc/54/80/29/654548029.db2.gz UTWZXCKFEOYRQJ-JCURWCKSSA-N 1 1 383.330 2.468 20 0 GEADMO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925690316 654548032 /nfs/dbraw/zinc/54/80/32/654548032.db2.gz UTWZXCKFEOYRQJ-JCURWCKSSA-N 1 1 383.330 2.468 20 0 GEADMO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925775358 654549032 /nfs/dbraw/zinc/54/90/32/654549032.db2.gz PNDZVNXGWDMJIA-XJKSGUPXSA-N 1 1 379.302 2.491 20 0 GEADMO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)n1 ZINC000925888761 654552404 /nfs/dbraw/zinc/55/24/04/654552404.db2.gz MVCRYVVGCHFWNK-MJVIPROJSA-N 1 1 378.274 2.422 20 0 GEADMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)n1 ZINC000925888763 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GEADMO C[C@@H](C(=O)N1CCN(c2nc3ccccc3s2)CC1)[NH+]1CCSCC1 ZINC000151423981 531500823 /nfs/dbraw/zinc/50/08/23/531500823.db2.gz XUQVRBBBWYDREN-AWEZNQCLSA-N 1 1 376.551 2.382 20 0 GEADMO COc1ccc(Br)c(CC(=O)N[C@H](C)CC[NH+]2CCOCC2)c1 ZINC000151486930 531503639 /nfs/dbraw/zinc/50/36/39/531503639.db2.gz CUAMEZCVXVBVNA-CYBMUJFWSA-N 1 1 385.302 2.227 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151801890 531521441 /nfs/dbraw/zinc/52/14/41/531521441.db2.gz XJISBLUXNOORLH-YPMHNXCESA-N 1 1 380.286 2.437 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000006232692 531523327 /nfs/dbraw/zinc/52/33/27/531523327.db2.gz ATVPUBJKSVPIBI-UHFFFAOYSA-N 1 1 382.917 2.279 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000006232692 531523340 /nfs/dbraw/zinc/52/33/40/531523340.db2.gz ATVPUBJKSVPIBI-UHFFFAOYSA-N 1 1 382.917 2.279 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1COc2ccc(Br)cc21 ZINC000152191809 531536868 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C[C@H](NC(=O)N(C)Cc1ccc(Br)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152457549 531551098 /nfs/dbraw/zinc/55/10/98/531551098.db2.gz PMJRTZLAZYTMNY-JQWIXIFHSA-N 1 1 376.320 2.371 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)N3CCSCC3)CC2)cs1 ZINC000152465629 531553759 /nfs/dbraw/zinc/55/37/59/531553759.db2.gz WNFDDKARGSOXJV-CQSZACIVSA-N 1 1 382.599 2.217 20 0 GEADMO COc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000152167256 531534854 /nfs/dbraw/zinc/53/48/54/531534854.db2.gz MDTFUCRZRDJQIT-CYBMUJFWSA-N 1 1 385.302 2.424 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)COc1ccc(Br)cc1F ZINC000152535863 531559064 /nfs/dbraw/zinc/55/90/64/531559064.db2.gz GBGAJEFLEHGKRD-UHFFFAOYSA-N 1 1 377.254 2.052 20 0 GEADMO OCC[NH+]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153721323 531606816 /nfs/dbraw/zinc/60/68/16/531606816.db2.gz ARNPRPWLPSAMJC-UHFFFAOYSA-N 1 1 377.286 2.016 20 0 GEADMO CN(C(=O)COc1ccc(I)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153741359 531607798 /nfs/dbraw/zinc/60/77/98/531607798.db2.gz UAZCSKVHKVLWQX-ZDUSSCGKSA-N 1 1 388.249 2.223 20 0 GEADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCOc1ccccc1Cl ZINC000024769430 531609328 /nfs/dbraw/zinc/60/93/28/531609328.db2.gz SHHPSBQXTANJLD-JTQLQIEISA-N 1 1 381.782 2.427 20 0 GEADMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCOc1ccccc1Cl ZINC000024769430 531609338 /nfs/dbraw/zinc/60/93/38/531609338.db2.gz SHHPSBQXTANJLD-JTQLQIEISA-N 1 1 381.782 2.427 20 0 GEADMO NC(=O)N1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153916026 531612576 /nfs/dbraw/zinc/61/25/76/531612576.db2.gz MLHFIUCHXXQZAN-UHFFFAOYSA-N 1 1 390.285 2.493 20 0 GEADMO NC(=O)N1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153916026 531612582 /nfs/dbraw/zinc/61/25/82/531612582.db2.gz MLHFIUCHXXQZAN-UHFFFAOYSA-N 1 1 390.285 2.493 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000153992331 531617657 /nfs/dbraw/zinc/61/76/57/531617657.db2.gz LCEAXFKWKMEDFN-UHFFFAOYSA-N 1 1 399.314 2.294 20 0 GEADMO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)cc1 ZINC000026841314 531619344 /nfs/dbraw/zinc/61/93/44/531619344.db2.gz AKULALZLBOUXKA-UHFFFAOYSA-N 1 1 382.180 2.269 20 0 GEADMO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)cc1 ZINC000026841314 531619355 /nfs/dbraw/zinc/61/93/55/531619355.db2.gz AKULALZLBOUXKA-UHFFFAOYSA-N 1 1 382.180 2.269 20 0 GEADMO C[NH+](C)C1(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCCCC1 ZINC000026956418 531621348 /nfs/dbraw/zinc/62/13/48/531621348.db2.gz IGLUIFLEVHSSFS-UHFFFAOYSA-N 1 1 388.555 2.023 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000028421418 531630852 /nfs/dbraw/zinc/63/08/52/531630852.db2.gz ZEJLKDRUWGXRQG-LBPRGKRZSA-N 1 1 397.317 2.020 20 0 GEADMO CNc1nnc(SCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000027943318 531628556 /nfs/dbraw/zinc/62/85/56/531628556.db2.gz HTOLJLVRYJDRSV-UHFFFAOYSA-N 1 1 377.539 2.325 20 0 GEADMO C[C@H](NC(=O)Nc1ccccc1I)[C@H]1C[N@H+](C)CCO1 ZINC000154742415 531630087 /nfs/dbraw/zinc/63/00/87/531630087.db2.gz SSPAVJFDMIDNLW-GXFFZTMASA-N 1 1 389.237 2.132 20 0 GEADMO C[C@H](NC(=O)Nc1ccccc1I)[C@H]1C[N@@H+](C)CCO1 ZINC000154742415 531630093 /nfs/dbraw/zinc/63/00/93/531630093.db2.gz SSPAVJFDMIDNLW-GXFFZTMASA-N 1 1 389.237 2.132 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000154917212 531641786 /nfs/dbraw/zinc/64/17/86/531641786.db2.gz DHWHPEDCTYBRHY-CYBMUJFWSA-N 1 1 378.274 2.428 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@@H]21 ZINC000154921949 531642033 /nfs/dbraw/zinc/64/20/33/531642033.db2.gz PCIVNPURZNYIHM-HOCLYGCPSA-N 1 1 394.313 2.122 20 0 GEADMO CC(C)[C@H](CNC(=O)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042581365 531670657 /nfs/dbraw/zinc/67/06/57/531670657.db2.gz ARDDGFNDZWCZHC-KRWDZBQOSA-N 1 1 382.346 2.380 20 0 GEADMO C[C@H](CNC(=O)CCNC(=O)c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000032428616 531651993 /nfs/dbraw/zinc/65/19/93/531651993.db2.gz LHKPJHYYYJUTBX-CYBMUJFWSA-N 1 1 377.535 2.493 20 0 GEADMO C[C@H](CNC(=O)CCNC(=O)c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000032428616 531651999 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CCO[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000156111239 531715402 /nfs/dbraw/zinc/71/54/02/531715402.db2.gz YEVHSTNZZNCPMR-CYBMUJFWSA-N 1 1 398.301 2.005 20 0 GEADMO CCO[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000156111239 531715406 /nfs/dbraw/zinc/71/54/06/531715406.db2.gz YEVHSTNZZNCPMR-CYBMUJFWSA-N 1 1 398.301 2.005 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1I ZINC000048469072 531732173 /nfs/dbraw/zinc/73/21/73/531732173.db2.gz FZDTXMSHYGYXCX-UHFFFAOYSA-N 1 1 391.253 2.381 20 0 GEADMO O=C(CCCOc1ccccc1Br)NCCC[NH+]1CCOCC1 ZINC000047699207 531720295 /nfs/dbraw/zinc/72/02/95/531720295.db2.gz WXWFADQBSANRQT-UHFFFAOYSA-N 1 1 385.302 2.447 20 0 GEADMO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047699844 531720644 /nfs/dbraw/zinc/72/06/44/531720644.db2.gz CTWGMXZHDOLFCR-GFCCVEGCSA-N 1 1 379.309 2.336 20 0 GEADMO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000051687215 531744286 /nfs/dbraw/zinc/74/42/86/531744286.db2.gz ASXKMFSYCKVFOP-CQSZACIVSA-N 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Cn1ncc(Br)c1CN[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000278492768 532382553 /nfs/dbraw/zinc/38/25/53/532382553.db2.gz MISSUJHTIOPCCX-RDJZCZTQSA-N 1 1 393.329 2.155 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000516192166 532382948 /nfs/dbraw/zinc/38/29/48/532382948.db2.gz UUGWADCRCXORNG-CYBMUJFWSA-N 1 1 387.933 2.229 20 0 GEADMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192071656 532383375 /nfs/dbraw/zinc/38/33/75/532383375.db2.gz BQOIELNRPWPWFK-WMLDXEAASA-N 1 1 394.313 2.403 20 0 GEADMO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192071656 532383379 /nfs/dbraw/zinc/38/33/79/532383379.db2.gz BQOIELNRPWPWFK-WMLDXEAASA-N 1 1 394.313 2.403 20 0 GEADMO COc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)nc1 ZINC000516277741 532383631 /nfs/dbraw/zinc/38/36/31/532383631.db2.gz GGUKJJXJCOMZCL-UHFFFAOYSA-N 1 1 385.283 2.416 20 0 GEADMO OC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2CN2CC[C@H](CO)C2)C1 ZINC000192073576 532384289 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CN(C(=O)c1[nH]nc2ccc(I)cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000463996181 532388145 /nfs/dbraw/zinc/38/81/45/532388145.db2.gz KHMPVJBXBGFLIH-NSHDSACASA-N 1 1 398.248 2.334 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC000623442704 532390109 /nfs/dbraw/zinc/39/01/09/532390109.db2.gz DRUFWCUMVNGEQL-UONOGXRCSA-N 1 1 387.571 2.344 20 0 GEADMO C[C@H](Cn1cc(Br)cn1)NCc1ccncc1OCC[NH+](C)C ZINC000516807593 532391673 /nfs/dbraw/zinc/39/16/73/532391673.db2.gz AIWNSWQCZJKUBQ-CYBMUJFWSA-N 1 1 382.306 2.159 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316252 532393951 /nfs/dbraw/zinc/39/39/51/532393951.db2.gz VCDKZLZPNLGGGG-LBPRGKRZSA-N 1 1 386.359 2.338 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316252 532393957 /nfs/dbraw/zinc/39/39/57/532393957.db2.gz VCDKZLZPNLGGGG-LBPRGKRZSA-N 1 1 386.359 2.338 20 0 GEADMO Nc1nc(N)nc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000624035022 532394404 /nfs/dbraw/zinc/39/44/04/532394404.db2.gz 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C[N@H+]1CCC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736856752 598497099 /nfs/dbraw/zinc/49/70/99/598497099.db2.gz MXBBUKRKSRRFEV-CQSZACIVSA-N 1 1 396.451 2.110 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1-c1nn[nH]n1 ZINC000737188787 598503189 /nfs/dbraw/zinc/50/31/89/598503189.db2.gz GPLFLXVHOKMVKY-JTQLQIEISA-N 1 1 387.513 2.074 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000737244596 598521664 /nfs/dbraw/zinc/52/16/64/598521664.db2.gz IISRBVXMZOPYCH-UHFFFAOYSA-N 1 1 399.405 2.119 20 0 GEADMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)Cc2ccccc21 ZINC000736865571 598526043 /nfs/dbraw/zinc/52/60/43/598526043.db2.gz ZNLACMYGTZRSBK-UHFFFAOYSA-N 1 1 377.452 2.147 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737190276 598536138 /nfs/dbraw/zinc/53/61/38/598536138.db2.gz WZWHDEGFLLVPKQ-NSHDSACASA-N 1 1 399.524 2.075 20 0 GEADMO Cc1cc(N2CCC[C@@H](NC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 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CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736511058 598678700 /nfs/dbraw/zinc/67/87/00/598678700.db2.gz MTHAUJSIUMUREH-UHFFFAOYSA-N 1 1 384.415 2.475 20 0 GEADMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738279883 598681426 /nfs/dbraw/zinc/68/14/26/598681426.db2.gz XIMZFKQKXXXAJG-UHFFFAOYSA-N 1 1 380.427 2.354 20 0 GEADMO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738279883 598681427 /nfs/dbraw/zinc/68/14/27/598681427.db2.gz XIMZFKQKXXXAJG-UHFFFAOYSA-N 1 1 380.427 2.354 20 0 GEADMO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000735873494 598686836 /nfs/dbraw/zinc/68/68/36/598686836.db2.gz BFSYGHWNCWVHEH-UHFFFAOYSA-N 1 1 386.500 2.106 20 0 GEADMO C[C@@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[N@@H+](C)C1CC1 ZINC000736026577 598687789 /nfs/dbraw/zinc/68/77/89/598687789.db2.gz VCGDXVOIUMJZGG-ZDUSSCGKSA-N 1 1 393.451 2.267 20 0 GEADMO C[N@@H+](CCNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000736801443 598688304 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CCC[C@@H](C(=O)OCC)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736416182 599362660 /nfs/dbraw/zinc/36/26/60/599362660.db2.gz LOYSQCVQGQQGPE-SFHVURJKSA-N 1 1 386.500 2.106 20 0 GEADMO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737742919 599478869 /nfs/dbraw/zinc/47/88/69/599478869.db2.gz RNYBGLWBAKKWHK-KDOFPFPSSA-N 1 1 380.427 2.097 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000738425214 599483174 /nfs/dbraw/zinc/48/31/74/599483174.db2.gz MAYHFXCABXLTKF-LJQANCHMSA-N 1 1 388.479 2.441 20 0 GEADMO CC(=O)NC[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C1 ZINC000819802783 599499884 /nfs/dbraw/zinc/49/98/84/599499884.db2.gz JIRBODCHCHSCRN-OAHLLOKOSA-N 1 1 379.468 2.384 20 0 GEADMO Cc1cccc2c(NCCC(=O)NCc3ccccc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337249 599508969 /nfs/dbraw/zinc/50/89/69/599508969.db2.gz WGWNTZBDDCMFLN-UHFFFAOYSA-N 1 1 387.447 2.264 20 0 GEADMO CCc1nnc2n1C[C@H](Nc1c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc13)CC2 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COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737149012 599592064 /nfs/dbraw/zinc/59/20/64/599592064.db2.gz UTLWQBFNPQXKBR-OAHLLOKOSA-N 1 1 378.436 2.303 20 0 GEADMO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000737292887 599611133 /nfs/dbraw/zinc/61/11/33/599611133.db2.gz XOPXMVZIHSNZEH-HLLBOEOZSA-N 1 1 399.499 2.281 20 0 GEADMO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000737292887 599611135 /nfs/dbraw/zinc/61/11/35/599611135.db2.gz XOPXMVZIHSNZEH-HLLBOEOZSA-N 1 1 399.499 2.281 20 0 GEADMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC[C@@H](C)O)c1-c1nn[nH]n1 ZINC000822015882 599640281 /nfs/dbraw/zinc/64/02/81/599640281.db2.gz QJSMQGHRGYBVKE-GFCCVEGCSA-N 1 1 389.504 2.041 20 0 GEADMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC[C@@H](C)O)c1-c1nn[nH]n1 ZINC000822015882 599640282 /nfs/dbraw/zinc/64/02/82/599640282.db2.gz QJSMQGHRGYBVKE-GFCCVEGCSA-N 1 1 389.504 2.041 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000821165798 599644181 /nfs/dbraw/zinc/64/41/81/599644181.db2.gz WEDUXRJBZDTGRP-SFHVURJKSA-N 1 1 380.452 2.169 20 0 GEADMO CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000821165798 599644182 /nfs/dbraw/zinc/64/41/82/599644182.db2.gz WEDUXRJBZDTGRP-SFHVURJKSA-N 1 1 380.452 2.169 20 0 GEADMO C[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[NH+]1CCCCCC1 ZINC000819883576 599662765 /nfs/dbraw/zinc/66/27/65/599662765.db2.gz IESKSVMOGDDJII-ZDUSSCGKSA-N 1 1 397.439 2.224 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[NH+]1[C@H](C)CC[C@H]1C ZINC000820686431 599663068 /nfs/dbraw/zinc/66/30/68/599663068.db2.gz XQCCEFAGFZEVMV-JHJVBQTASA-N 1 1 397.439 2.221 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000819866592 599690425 /nfs/dbraw/zinc/69/04/25/599690425.db2.gz OEAQRRWYEKAYAO-NEPJUHHUSA-N 1 1 378.864 2.206 20 0 GEADMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820971790 599690919 /nfs/dbraw/zinc/69/09/19/599690919.db2.gz GBRCQXCADOPSHA-ZIAGYGMSSA-N 1 1 380.456 2.111 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736762008 600109791 /nfs/dbraw/zinc/10/97/91/600109791.db2.gz KICYOTOCOAOMTF-BBWFWOEESA-N 1 1 388.512 2.093 20 0 GEADMO Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000832917392 600824931 /nfs/dbraw/zinc/82/49/31/600824931.db2.gz XRSGHVMWQMFROT-UHFFFAOYSA-N 1 1 389.496 2.209 20 0 GEADMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cn2)C[C@H](C)O1 ZINC000820769539 607474022 /nfs/dbraw/zinc/47/40/22/607474022.db2.gz VJDUZUGWZLOTJV-KBPBESRZSA-N 1 1 397.458 2.304 20 0 GEADMO CS[C@@H]1CCCC[N@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000826227333 607475342 /nfs/dbraw/zinc/47/53/42/607475342.db2.gz PHWSUQRMGGQZSB-YPMHNXCESA-N 1 1 378.527 2.251 20 0 GEADMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825395399 607476123 /nfs/dbraw/zinc/47/61/23/607476123.db2.gz OVPHLDBOEGCHBL-UHFFFAOYSA-N 1 1 398.442 2.153 20 0 GEADMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825395399 607476125 /nfs/dbraw/zinc/47/61/25/607476125.db2.gz OVPHLDBOEGCHBL-UHFFFAOYSA-N 1 1 398.442 2.153 20 0 GEADMO O=C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478257 /nfs/dbraw/zinc/47/82/57/607478257.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 1 1 395.511 2.144 20 0 GEADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194271 607482597 /nfs/dbraw/zinc/48/25/97/607482597.db2.gz HMAYANKBCFNQEA-UHFFFAOYSA-N 1 1 392.463 2.223 20 0 GEADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194271 607482599 /nfs/dbraw/zinc/48/25/99/607482599.db2.gz HMAYANKBCFNQEA-UHFFFAOYSA-N 1 1 392.463 2.223 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000829764899 601011494 /nfs/dbraw/zinc/01/14/94/601011494.db2.gz BDPARDSIVCMUEN-HNNXBMFYSA-N 1 1 380.464 2.404 20 0 GEADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825285106 607487640 /nfs/dbraw/zinc/48/76/40/607487640.db2.gz JQEMRVZQGSBHNF-GDBMZVCRSA-N 1 1 386.500 2.392 20 0 GEADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232920 607489997 /nfs/dbraw/zinc/48/99/97/607489997.db2.gz LHVULOUKMXHKNF-ZBFHGGJFSA-N 1 1 386.500 2.392 20 0 GEADMO CCC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323503 607495508 /nfs/dbraw/zinc/49/55/08/607495508.db2.gz WZFJMSPSZLGVPK-HNNXBMFYSA-N 1 1 387.488 2.483 20 0 GEADMO O=C([O-])C1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000833191537 601276286 /nfs/dbraw/zinc/27/62/86/601276286.db2.gz JHGUUHQUHDGKHB-LJQANCHMSA-N 1 1 391.487 2.093 20 0 GEADMO O=C([O-])C1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000833191537 601276288 /nfs/dbraw/zinc/27/62/88/601276288.db2.gz JHGUUHQUHDGKHB-LJQANCHMSA-N 1 1 391.487 2.093 20 0 GEADMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826158832 607499477 /nfs/dbraw/zinc/49/94/77/607499477.db2.gz FIYZRBZZZAEBLG-UHFFFAOYSA-N 1 1 397.435 2.253 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000820541293 607501227 /nfs/dbraw/zinc/50/12/27/607501227.db2.gz DBXCYIVIDISMJM-DAYGRLMNSA-N 1 1 396.495 2.109 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194581 607501851 /nfs/dbraw/zinc/50/18/51/607501851.db2.gz PVTLAGCGOWWJNV-HNNXBMFYSA-N 1 1 386.500 2.250 20 0 GEADMO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822977933 607502373 /nfs/dbraw/zinc/50/23/73/607502373.db2.gz CMRCQAJIYXDXAH-MJGOQNOKSA-N 1 1 380.496 2.275 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261596 607509207 /nfs/dbraw/zinc/50/92/07/607509207.db2.gz NBYOJGHFKPDGKG-HZPDHXFCSA-N 1 1 386.500 2.118 20 0 GEADMO C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H]1C(=O)[O-] ZINC000263338263 601503655 /nfs/dbraw/zinc/50/36/55/601503655.db2.gz MXGQPTHIWDGPJD-DYESRHJHSA-N 1 1 395.503 2.137 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H]1C(=O)[O-] ZINC000263338263 601503657 /nfs/dbraw/zinc/50/36/57/601503657.db2.gz MXGQPTHIWDGPJD-DYESRHJHSA-N 1 1 395.503 2.137 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000826182265 607517155 /nfs/dbraw/zinc/51/71/55/607517155.db2.gz FXJODGSGKFXIFV-OAHLLOKOSA-N 1 1 388.472 2.364 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000826182265 607517157 /nfs/dbraw/zinc/51/71/57/607517157.db2.gz FXJODGSGKFXIFV-OAHLLOKOSA-N 1 1 388.472 2.364 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000826183336 607518175 /nfs/dbraw/zinc/51/81/75/607518175.db2.gz MLDJXRKNUTVJMO-UHFFFAOYSA-N 1 1 398.492 2.285 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000826183336 607518177 /nfs/dbraw/zinc/51/81/77/607518177.db2.gz MLDJXRKNUTVJMO-UHFFFAOYSA-N 1 1 398.492 2.285 20 0 GEADMO CC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000828653169 602219871 /nfs/dbraw/zinc/21/98/71/602219871.db2.gz WJOIJAINXGVHCR-NRFANRHFSA-N 1 1 375.513 2.262 20 0 GEADMO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000444001999 649931540 /nfs/dbraw/zinc/93/15/40/649931540.db2.gz ZPNHOBRGDKRXSD-UHFFFAOYSA-N 1 1 380.413 2.218 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000824936929 607579821 /nfs/dbraw/zinc/57/98/21/607579821.db2.gz NJMUNZQFIRDELB-LBPRGKRZSA-N 1 1 398.920 2.063 20 0 GEADMO C[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000739663571 603340614 /nfs/dbraw/zinc/34/06/14/603340614.db2.gz DFLIUBRKTPFDCR-QUCCMNQESA-N 1 1 375.513 2.364 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220419 607627104 /nfs/dbraw/zinc/62/71/04/607627104.db2.gz TVEJLLOBUBCITG-JKSUJKDBSA-N 1 1 399.499 2.034 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)C(C)C ZINC000444176134 649939205 /nfs/dbraw/zinc/93/92/05/649939205.db2.gz NQPOLNIONCHMBT-UHFFFAOYSA-N 1 1 391.331 2.393 20 0 GEADMO C[C@H](Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1)C(=O)[O-] ZINC000833542812 604634712 /nfs/dbraw/zinc/63/47/12/604634712.db2.gz STCQIKNWEHVSRN-HKUYNNGSSA-N 1 1 375.513 2.140 20 0 GEADMO C[C@H](Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1)C(=O)[O-] ZINC000833542812 604634714 /nfs/dbraw/zinc/63/47/14/604634714.db2.gz STCQIKNWEHVSRN-HKUYNNGSSA-N 1 1 375.513 2.140 20 0 GEADMO CC(C)[NH+]1CCN(C2CC[NH+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)CC1 ZINC000833499134 604902551 /nfs/dbraw/zinc/90/25/51/604902551.db2.gz MAPNNMMCCUVBKI-UHFFFAOYSA-N 1 1 385.512 2.182 20 0 GEADMO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC1(O)CCOCC1 ZINC000444755764 649952040 /nfs/dbraw/zinc/95/20/40/649952040.db2.gz YNTCTHWGYVIYEL-UHFFFAOYSA-N 1 1 375.296 2.125 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000824884475 607741128 /nfs/dbraw/zinc/74/11/28/607741128.db2.gz OBBOHHKQOOVFCM-GDBMZVCRSA-N 1 1 379.468 2.320 20 0 GEADMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824699447 607756794 /nfs/dbraw/zinc/75/67/94/607756794.db2.gz SWFCGNMSBVIHJH-WCQYABFASA-N 1 1 378.864 2.084 20 0 GEADMO Cc1nc(C)c(C)c(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822427042 606062204 /nfs/dbraw/zinc/06/22/04/606062204.db2.gz AUKQITNGRKMBLW-UHFFFAOYSA-N 1 1 378.484 2.294 20 0 GEADMO CC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1cccc(O)c1 ZINC000821164358 606069405 /nfs/dbraw/zinc/06/94/05/606069405.db2.gz CUYQZLGCNKRYHE-AWEZNQCLSA-N 1 1 380.452 2.272 20 0 GEADMO CC[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1cccc(O)c1 ZINC000821164358 606069409 /nfs/dbraw/zinc/06/94/09/606069409.db2.gz CUYQZLGCNKRYHE-AWEZNQCLSA-N 1 1 380.452 2.272 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821614681 606089005 /nfs/dbraw/zinc/08/90/05/606089005.db2.gz QKYXKONRWFQLHA-SFHVURJKSA-N 1 1 378.480 2.452 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821614681 606089006 /nfs/dbraw/zinc/08/90/06/606089006.db2.gz QKYXKONRWFQLHA-SFHVURJKSA-N 1 1 378.480 2.452 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000821614681 606089009 /nfs/dbraw/zinc/08/90/09/606089009.db2.gz QKYXKONRWFQLHA-SFHVURJKSA-N 1 1 378.480 2.452 20 0 GEADMO Cc1csc(C2([NH2+]CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCCC2)n1 ZINC000822408737 606094089 /nfs/dbraw/zinc/09/40/89/606094089.db2.gz HPUQTCRGJQJKCA-UHFFFAOYSA-N 1 1 397.508 2.307 20 0 GEADMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820932174 606110433 /nfs/dbraw/zinc/11/04/33/606110433.db2.gz LZCCSLBAWGBJSS-QWHCGFSZSA-N 1 1 378.502 2.109 20 0 GEADMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820932174 606110436 /nfs/dbraw/zinc/11/04/36/606110436.db2.gz LZCCSLBAWGBJSS-QWHCGFSZSA-N 1 1 378.502 2.109 20 0 GEADMO C[C@@]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000820432045 606115138 /nfs/dbraw/zinc/11/51/38/606115138.db2.gz LBIJRWKHSDWEGW-KRWDZBQOSA-N 1 1 390.369 2.376 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176257804 606150470 /nfs/dbraw/zinc/15/04/70/606150470.db2.gz UTWUOVLHARLRCZ-SFHVURJKSA-N 1 1 380.427 2.287 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176257804 606150472 /nfs/dbraw/zinc/15/04/72/606150472.db2.gz UTWUOVLHARLRCZ-SFHVURJKSA-N 1 1 380.427 2.287 20 0 GEADMO COc1cc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc(OC)c1 ZINC000821717253 606164724 /nfs/dbraw/zinc/16/47/24/606164724.db2.gz MTJBDRSJWQFRFR-UHFFFAOYSA-N 1 1 398.442 2.345 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254111 606184209 /nfs/dbraw/zinc/18/42/09/606184209.db2.gz JXMKUQBSOATYLX-BXUZGUMPSA-N 1 1 391.545 2.146 20 0 GEADMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678780 606189541 /nfs/dbraw/zinc/18/95/41/606189541.db2.gz YJMOIHIIHKGLMU-FRFSOERESA-N 1 1 375.498 2.293 20 0 GEADMO O=C(c1cc(F)ccc1O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823472418 606197447 /nfs/dbraw/zinc/19/74/47/606197447.db2.gz LLMUXDIAYWCCDG-UHFFFAOYSA-N 1 1 396.426 2.060 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)CC[N@@H+]1C ZINC000820742031 606199871 /nfs/dbraw/zinc/19/98/71/606199871.db2.gz HDFCEZUXQDJHEY-HNNXBMFYSA-N 1 1 392.463 2.222 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)CC[N@H+]1C ZINC000820742031 606199873 /nfs/dbraw/zinc/19/98/73/606199873.db2.gz HDFCEZUXQDJHEY-HNNXBMFYSA-N 1 1 392.463 2.222 20 0 GEADMO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000820769321 606225977 /nfs/dbraw/zinc/22/59/77/606225977.db2.gz SIMYTVKJZUETAP-ABAIWWIYSA-N 1 1 382.390 2.042 20 0 GEADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)C[C@@H](C)O1 ZINC000820761270 606277092 /nfs/dbraw/zinc/27/70/92/606277092.db2.gz WOKZOHIBZZDQQV-CHWSQXEVSA-N 1 1 381.440 2.056 20 0 GEADMO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821518197 606320580 /nfs/dbraw/zinc/32/05/80/606320580.db2.gz RAJQCGKAUVGXEZ-SJLPKXTDSA-N 1 1 395.467 2.177 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821002744 606334308 /nfs/dbraw/zinc/33/43/08/606334308.db2.gz YUGCIOVCYJWIEH-DLBZAZTESA-N 1 1 394.483 2.365 20 0 GEADMO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000820529739 606365932 /nfs/dbraw/zinc/36/59/32/606365932.db2.gz RIWKJMGHOUNUHW-AWEZNQCLSA-N 1 1 398.442 2.021 20 0 GEADMO Fc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000822766185 606434987 /nfs/dbraw/zinc/43/49/87/606434987.db2.gz FPUVPVMVQPXKME-UHFFFAOYSA-N 1 1 382.443 2.345 20 0 GEADMO CCN1CC[NH+]([C@@H](C)CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821267109 606453394 /nfs/dbraw/zinc/45/33/94/606453394.db2.gz KLFCACDTNAEAEM-LBPRGKRZSA-N 1 1 383.422 2.323 20 0 GEADMO OC1CC[NH+](Cc2ccccc2CNCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823705080 606482893 /nfs/dbraw/zinc/48/28/93/606482893.db2.gz FDNWPAAZUHZDMY-UHFFFAOYSA-N 1 1 378.480 2.113 20 0 GEADMO CC(C)(CNC(=O)c1cc(-c2nn[nH]n2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000819981158 606492008 /nfs/dbraw/zinc/49/20/08/606492008.db2.gz NUVBRRDSBZDMOY-UHFFFAOYSA-N 1 1 382.493 2.495 20 0 GEADMO CC(C)(CNC(=O)c1cc(-c2nn[nH]n2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000819981158 606492009 /nfs/dbraw/zinc/49/20/09/606492009.db2.gz NUVBRRDSBZDMOY-UHFFFAOYSA-N 1 1 382.493 2.495 20 0 GEADMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@H](C)C3)C1 ZINC000821697759 606519269 /nfs/dbraw/zinc/51/92/69/606519269.db2.gz PYZVBCCEHMKDEV-RYUDHWBXSA-N 1 1 390.513 2.102 20 0 GEADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820571501 606530611 /nfs/dbraw/zinc/53/06/11/606530611.db2.gz ZYCFOILRFHZBGR-KXBFYZLASA-N 1 1 376.464 2.361 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc([S@](C)=O)cc1 ZINC000821598194 606623628 /nfs/dbraw/zinc/62/36/28/606623628.db2.gz USABABWCBQMIHS-NDEPHWFRSA-N 1 1 398.492 2.065 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000821104401 606632807 /nfs/dbraw/zinc/63/28/07/606632807.db2.gz BQFZFEHDXZCYLD-RHSMWYFYSA-N 1 1 383.500 2.414 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000821104403 606632809 /nfs/dbraw/zinc/63/28/09/606632809.db2.gz BQFZFEHDXZCYLD-YOEHRIQHSA-N 1 1 383.500 2.414 20 0 GEADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823165993 606662425 /nfs/dbraw/zinc/66/24/25/606662425.db2.gz DBIKEEJJUBSYPT-CQSZACIVSA-N 1 1 388.378 2.305 20 0 GEADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821518554 606680568 /nfs/dbraw/zinc/68/05/68/606680568.db2.gz ZLAGZPARQXLFRU-LBPRGKRZSA-N 1 1 387.394 2.381 20 0 GEADMO CC[N@@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821242801 606692129 /nfs/dbraw/zinc/69/21/29/606692129.db2.gz WBKFGILPUWACDB-BBRMVZONSA-N 1 1 396.451 2.109 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993730 606714955 /nfs/dbraw/zinc/71/49/55/606714955.db2.gz XIBCMFUDFVAUTA-QGZVFWFLSA-N 1 1 380.427 2.112 20 0 GEADMO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820633372 606718302 /nfs/dbraw/zinc/71/83/02/606718302.db2.gz AUVWQFISPDKIIU-NRFANRHFSA-N 1 1 376.464 2.147 20 0 GEADMO C[C@]1(CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CCCO1 ZINC000820623042 606724142 /nfs/dbraw/zinc/72/41/42/606724142.db2.gz CIPWOOJPUFBEHV-QGZVFWFLSA-N 1 1 376.367 2.419 20 0 GEADMO CC[C@@H](Nc1ncccc1-c1nn[nH]n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820926615 606726003 /nfs/dbraw/zinc/72/60/03/606726003.db2.gz UAWSVRVVBXARNZ-QZTJIDSGSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@@H](Nc1ncccc1-c1nn[nH]n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820926615 606726005 /nfs/dbraw/zinc/72/60/05/606726005.db2.gz UAWSVRVVBXARNZ-QZTJIDSGSA-N 1 1 379.468 2.353 20 0 GEADMO CC[N@H+]1C[C@H](C)[C@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000821241284 606731478 /nfs/dbraw/zinc/73/14/78/606731478.db2.gz LMPZQCUCGPRKIN-ZUZCIYMTSA-N 1 1 389.410 2.190 20 0 GEADMO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926641 606742482 /nfs/dbraw/zinc/74/24/82/606742482.db2.gz UREZXKFFIOXIEW-HKUYNNGSSA-N 1 1 382.468 2.229 20 0 GEADMO CN(CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821603870 606796982 /nfs/dbraw/zinc/79/69/82/606796982.db2.gz SBEVXONOBWXYFK-IBGZPJMESA-N 1 1 378.480 2.452 20 0 GEADMO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000821603870 606796983 /nfs/dbraw/zinc/79/69/83/606796983.db2.gz SBEVXONOBWXYFK-IBGZPJMESA-N 1 1 378.480 2.452 20 0 GEADMO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(Cc2ccccc2)C1 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COc1ccc(Br)c(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000416784243 648212262 /nfs/dbraw/zinc/21/22/62/648212262.db2.gz JCRPFPAYISSCLS-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO COc1ccc(Br)c(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000416784243 648212265 /nfs/dbraw/zinc/21/22/65/648212265.db2.gz JCRPFPAYISSCLS-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+](C)C1 ZINC000416895306 648215552 /nfs/dbraw/zinc/21/55/52/648215552.db2.gz UBJXZYPESKWHRE-JTQLQIEISA-N 1 1 388.237 2.157 20 0 GEADMO Cc1csc([C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)C(F)(F)F)n1 ZINC000417175443 648228474 /nfs/dbraw/zinc/22/84/74/648228474.db2.gz JMZGTTQCGQGTQN-WOPDTQHZSA-N 1 1 380.436 2.151 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417602231 648255652 /nfs/dbraw/zinc/25/56/52/648255652.db2.gz NJVCJJYQFIJKEE-CXAGYDPISA-N 1 1 399.308 2.371 20 0 GEADMO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417718880 648258470 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GEADMO CS(=O)(=O)C1(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000418028447 648272332 /nfs/dbraw/zinc/27/23/32/648272332.db2.gz KCRNWRWHOTWULR-UHFFFAOYSA-N 1 1 383.226 2.097 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000418529023 648300090 /nfs/dbraw/zinc/30/00/90/648300090.db2.gz WULPLNLQFFVNTR-UHFFFAOYSA-N 1 1 379.810 2.464 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007218 648327075 /nfs/dbraw/zinc/32/70/75/648327075.db2.gz UCQCKBUUKYWXAF-VXGBXAGGSA-N 1 1 387.322 2.308 20 0 GEADMO COc1nc(N2CC[NH+](CCOCC3CCC3)CC2)ncc1Br ZINC000419244710 648342746 /nfs/dbraw/zinc/34/27/46/648342746.db2.gz VKDLBNAAODHJCK-UHFFFAOYSA-N 1 1 385.306 2.186 20 0 GEADMO Cc1cc(NC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1Br ZINC000419322251 648346911 /nfs/dbraw/zinc/34/69/11/648346911.db2.gz HGCYMXUWVRLZMJ-UONOGXRCSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000419433740 648352911 /nfs/dbraw/zinc/35/29/11/648352911.db2.gz ZXKAPXUCWHARBJ-VXGBXAGGSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419477617 648353961 /nfs/dbraw/zinc/35/39/61/648353961.db2.gz RROLAYGEYIARFW-KFWWJZLASA-N 1 1 398.345 2.477 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccncc2OCC(F)F)cc1Cl ZINC000419735346 648372963 /nfs/dbraw/zinc/37/29/63/648372963.db2.gz WCLTZRXDWSFTIR-UHFFFAOYSA-N 1 1 391.827 2.316 20 0 GEADMO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000419807247 648380543 /nfs/dbraw/zinc/38/05/43/648380543.db2.gz FONIMDWCUVLHOC-NWDGAFQWSA-N 1 1 385.192 2.181 20 0 GEADMO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c(Br)c1 ZINC000420740283 648446670 /nfs/dbraw/zinc/44/66/70/648446670.db2.gz QYAVDVMEIZHJQE-LLVKDONJSA-N 1 1 377.304 2.172 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ccc1OC(F)F ZINC000420751229 648449802 /nfs/dbraw/zinc/44/98/02/648449802.db2.gz ONAHZFMBUJVMAT-LBPRGKRZSA-N 1 1 398.859 2.067 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)ccc1OC(F)F ZINC000420751229 648449807 /nfs/dbraw/zinc/44/98/07/648449807.db2.gz ONAHZFMBUJVMAT-LBPRGKRZSA-N 1 1 398.859 2.067 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ccc1OC(F)F ZINC000420751228 648450014 /nfs/dbraw/zinc/45/00/14/648450014.db2.gz ONAHZFMBUJVMAT-GFCCVEGCSA-N 1 1 398.859 2.067 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(Cl)ccc1OC(F)F ZINC000420751228 648450019 /nfs/dbraw/zinc/45/00/19/648450019.db2.gz ONAHZFMBUJVMAT-GFCCVEGCSA-N 1 1 398.859 2.067 20 0 GEADMO CNC(=O)[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000420976464 648460556 /nfs/dbraw/zinc/46/05/56/648460556.db2.gz PEEXQFXFEJIHJC-CJNGLKHVSA-N 1 1 394.313 2.321 20 0 GEADMO CNC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1Br ZINC000421114215 648467146 /nfs/dbraw/zinc/46/71/46/648467146.db2.gz TVUCVJFHNDLZRH-LLVKDONJSA-N 1 1 383.290 2.367 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421207141 648471085 /nfs/dbraw/zinc/47/10/85/648471085.db2.gz JPDWFKLQWBDSRP-ZDUSSCGKSA-N 1 1 394.313 2.138 20 0 GEADMO Ic1cnn(Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421209355 648471162 /nfs/dbraw/zinc/47/11/62/648471162.db2.gz FMTUZEVVRXRKFX-UHFFFAOYSA-N 1 1 383.233 2.368 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421242309 648477773 /nfs/dbraw/zinc/47/77/73/648477773.db2.gz YOLJFWOHYQBZIO-CYBMUJFWSA-N 1 1 394.313 2.279 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000421412917 648491003 /nfs/dbraw/zinc/49/10/03/648491003.db2.gz UPWPFRKMKDQGRL-XJKSGUPXSA-N 1 1 398.345 2.488 20 0 GEADMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c(I)c1 ZINC000421708914 648505871 /nfs/dbraw/zinc/50/58/71/648505871.db2.gz BNPIJJMMMHWIBN-LLVKDONJSA-N 1 1 388.249 2.466 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422022892 648518932 /nfs/dbraw/zinc/51/89/32/648518932.db2.gz OKTDZUFPAMZHDL-WFASDCNBSA-N 1 1 382.302 2.120 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422088486 648521069 /nfs/dbraw/zinc/52/10/69/648521069.db2.gz HIWFFPDJTIGUMC-GFCCVEGCSA-N 1 1 388.331 2.068 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422280489 648533157 /nfs/dbraw/zinc/53/31/57/648533157.db2.gz HNOPKTWVYXYOIP-UHFFFAOYSA-N 1 1 384.318 2.222 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCC1 ZINC000422298980 648535000 /nfs/dbraw/zinc/53/50/00/648535000.db2.gz SOSSTGPVSWONCO-UHFFFAOYSA-N 1 1 396.329 2.098 20 0 GEADMO C[C@H](NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000422382264 648541421 /nfs/dbraw/zinc/54/14/21/648541421.db2.gz RSNJDNKPFOSCRX-LBPRGKRZSA-N 1 1 397.317 2.012 20 0 GEADMO CC(C)N(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000422557277 648559062 /nfs/dbraw/zinc/55/90/62/648559062.db2.gz JGWIHFGENMHALF-UHFFFAOYSA-N 1 1 396.329 2.397 20 0 GEADMO Cc1nc(C[NH3+])ccc1[C@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750992 648574714 /nfs/dbraw/zinc/57/47/14/648574714.db2.gz ASXRLVUNCJEPAA-LBPRGKRZSA-N 1 1 382.917 2.131 20 0 GEADMO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422946886 648578520 /nfs/dbraw/zinc/57/85/20/648578520.db2.gz PQMUHDPKIIDHRF-AAEUAGOBSA-N 1 1 393.228 2.434 20 0 GEADMO C[C@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423110127 648580986 /nfs/dbraw/zinc/58/09/86/648580986.db2.gz UOTMJFHFDQNKKD-WCQYABFASA-N 1 1 380.341 2.249 20 0 GEADMO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423110128 648581626 /nfs/dbraw/zinc/58/16/26/648581626.db2.gz UOTMJFHFDQNKKD-YPMHNXCESA-N 1 1 380.341 2.249 20 0 GEADMO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423285491 648589522 /nfs/dbraw/zinc/58/95/22/648589522.db2.gz YGSAUKCAAOFLTC-VHRBIJSZSA-N 1 1 390.347 2.265 20 0 GEADMO O=C(c1ccccc1I)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423971623 648606322 /nfs/dbraw/zinc/60/63/22/648606322.db2.gz OMNDRULSWXBPSG-OAHLLOKOSA-N 1 1 393.228 2.473 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000424661341 648637154 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ZINC000555133610 651218985 /nfs/dbraw/zinc/21/89/85/651218985.db2.gz UOTZWBGJOBVRKF-AWEZNQCLSA-N 1 1 396.329 2.196 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309757 651222482 /nfs/dbraw/zinc/22/24/82/651222482.db2.gz VTOZHBJBPLADFD-BXUZGUMPSA-N 1 1 380.286 2.285 20 0 GEADMO CN(C)c1nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc(=O)[nH]1 ZINC000555305154 651222530 /nfs/dbraw/zinc/22/25/30/651222530.db2.gz NXFFZSCPKXVYSM-UHFFFAOYSA-N 1 1 394.273 2.325 20 0 GEADMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000555771306 651229655 /nfs/dbraw/zinc/22/96/55/651229655.db2.gz SLSRRPRXVHWMNS-DTWKUNHWSA-N 1 1 383.258 2.488 20 0 GEADMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000555771306 651229657 /nfs/dbraw/zinc/22/96/57/651229657.db2.gz SLSRRPRXVHWMNS-DTWKUNHWSA-N 1 1 383.258 2.488 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000556083040 651236040 /nfs/dbraw/zinc/23/60/40/651236040.db2.gz HNZXLJOZEDLQAW-CQSZACIVSA-N 1 1 383.945 2.396 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000556756898 651251471 /nfs/dbraw/zinc/25/14/71/651251471.db2.gz SVAWKMNLFTXIKO-VXGBXAGGSA-N 1 1 382.306 2.426 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC[N@@H+]1CCO ZINC000556977378 651258745 /nfs/dbraw/zinc/25/87/45/651258745.db2.gz HDIVDMGPNWVCQO-LBPRGKRZSA-N 1 1 385.277 2.145 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC[N@H+]1CCO ZINC000556977378 651258746 /nfs/dbraw/zinc/25/87/46/651258746.db2.gz HDIVDMGPNWVCQO-LBPRGKRZSA-N 1 1 385.277 2.145 20 0 GEADMO CCc1cc(NCC(=O)Nc2ccc(I)cc2)nc(C)[nH+]1 ZINC000557673728 651271716 /nfs/dbraw/zinc/27/17/16/651271716.db2.gz RZWVMASNHZFIOH-UHFFFAOYSA-N 1 1 396.232 3.003 20 0 GEADMO O=C1CCCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000558236084 651277760 /nfs/dbraw/zinc/27/77/60/651277760.db2.gz HISCQFXFKKUXBS-CVEARBPZSA-N 1 1 397.313 2.276 20 0 GEADMO CN(C)S(=O)(=O)N1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000558477580 651280197 /nfs/dbraw/zinc/28/01/97/651280197.db2.gz CUGVKGYCZOZPNA-UHFFFAOYSA-N 1 1 380.341 2.350 20 0 GEADMO CN(C)S(=O)(=O)N1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000558477580 651280200 /nfs/dbraw/zinc/28/02/00/651280200.db2.gz CUGVKGYCZOZPNA-UHFFFAOYSA-N 1 1 380.341 2.350 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000560028556 651303907 /nfs/dbraw/zinc/30/39/07/651303907.db2.gz RWPRQBVDVXRBTH-OAHLLOKOSA-N 1 1 389.924 2.270 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000560273080 651305933 /nfs/dbraw/zinc/30/59/33/651305933.db2.gz BCNFITLHFLNJPJ-QWHCGFSZSA-N 1 1 385.302 2.107 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000560303686 651306782 /nfs/dbraw/zinc/30/67/82/651306782.db2.gz YMEAPDKVUWMYLZ-KBPBESRZSA-N 1 1 398.345 2.343 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000560433994 651309699 /nfs/dbraw/zinc/30/96/99/651309699.db2.gz YLUCOCDIKCEZTE-NSHDSACASA-N 1 1 383.905 2.332 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000560433994 651309701 /nfs/dbraw/zinc/30/97/01/651309701.db2.gz YLUCOCDIKCEZTE-NSHDSACASA-N 1 1 383.905 2.332 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000560462891 651310373 /nfs/dbraw/zinc/31/03/73/651310373.db2.gz GJILELCEGAIGFC-SNVBAGLBSA-N 1 1 395.308 2.400 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000560743070 651314281 /nfs/dbraw/zinc/31/42/81/651314281.db2.gz FCGHUDYMPVYTNK-ZIAGYGMSSA-N 1 1 384.307 2.377 20 0 GEADMO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000642628159 651473129 /nfs/dbraw/zinc/47/31/29/651473129.db2.gz OTLCQPCPYGQXNS-CHWSQXEVSA-N 1 1 396.336 2.490 20 0 GEADMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000642628159 651473134 /nfs/dbraw/zinc/47/31/34/651473134.db2.gz OTLCQPCPYGQXNS-CHWSQXEVSA-N 1 1 396.336 2.490 20 0 GEADMO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1nccs1 ZINC000721752050 651477298 /nfs/dbraw/zinc/47/72/98/651477298.db2.gz JUPCYWPGRGAUBK-STQMWFEESA-N 1 1 389.543 2.218 20 0 GEADMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000721752583 651477305 /nfs/dbraw/zinc/47/73/05/651477305.db2.gz MFWWGUQVWUNTRK-ZDUSSCGKSA-N 1 1 392.905 2.447 20 0 GEADMO CCOC(=O)c1nc(N(C)CCC[NH+]2CCN(C)CC2)ccc1Br ZINC000603303472 651478652 /nfs/dbraw/zinc/47/86/52/651478652.db2.gz LPXKJGHNKLCUMX-UHFFFAOYSA-N 1 1 399.333 2.095 20 0 GEADMO CCOC(=O)c1nc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000603362540 651484612 /nfs/dbraw/zinc/48/46/12/651484612.db2.gz QLYHQCCKKPRZFT-UHFFFAOYSA-N 1 1 380.246 2.071 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000643407968 651485877 /nfs/dbraw/zinc/48/58/77/651485877.db2.gz IUACVZHPIZOMOQ-CQSZACIVSA-N 1 1 396.329 2.222 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000643407951 651486023 /nfs/dbraw/zinc/48/60/23/651486023.db2.gz DZZDOBRPLGUDOD-INIZCTEOSA-N 1 1 396.329 2.315 20 0 GEADMO C[C@H]1C[C@H](NC(=O)c2ncc(I)s2)C[N@H+]1C1CC1 ZINC000603436766 651492604 /nfs/dbraw/zinc/49/26/04/651492604.db2.gz DAADTNFBJOUSKD-YUMQZZPRSA-N 1 1 377.251 2.103 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)C ZINC000726625852 651498791 /nfs/dbraw/zinc/49/87/91/651498791.db2.gz VYHVVRLWYVWOGT-UHFFFAOYSA-N 1 1 375.922 2.050 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@@H]21 ZINC000562675309 651499241 /nfs/dbraw/zinc/49/92/41/651499241.db2.gz GPTPQCWXSSDQIK-MFKMUULPSA-N 1 1 378.274 2.171 20 0 GEADMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604204859 651510496 /nfs/dbraw/zinc/51/04/96/651510496.db2.gz AXXUQLGZNLNYIX-YPMHNXCESA-N 1 1 388.295 2.269 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727161286 651513846 /nfs/dbraw/zinc/51/38/46/651513846.db2.gz FOKDOMOKUKDLCE-GXTWGEPZSA-N 1 1 376.954 2.024 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000644168735 651524313 /nfs/dbraw/zinc/52/43/13/651524313.db2.gz IEFJOOYBEMDHKO-DOMZBBRYSA-N 1 1 388.281 2.405 20 0 GEADMO O=C(NCCc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000605058191 651527931 /nfs/dbraw/zinc/52/79/31/651527931.db2.gz GYWSUNBAEKZPFZ-QGZVFWFLSA-N 1 1 396.329 2.498 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644297549 651532062 /nfs/dbraw/zinc/53/20/62/651532062.db2.gz AWCXPEVQYGGTJJ-GUTXKFCHSA-N 1 1 388.917 2.078 20 0 GEADMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nncn1C ZINC000563584998 651534286 /nfs/dbraw/zinc/53/42/86/651534286.db2.gz DAZPCSUAJQWSCH-MWLCHTKSSA-N 1 1 389.681 2.322 20 0 GEADMO O=c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)nc2ccc(Br)cn12 ZINC000728172738 651539940 /nfs/dbraw/zinc/53/99/40/651539940.db2.gz JJCPZYYAHQSDMD-CQSZACIVSA-N 1 1 394.269 2.184 20 0 GEADMO O=c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)nc2ccc(Br)cn12 ZINC000728172738 651539946 /nfs/dbraw/zinc/53/99/46/651539946.db2.gz JJCPZYYAHQSDMD-CQSZACIVSA-N 1 1 394.269 2.184 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000605887101 651545828 /nfs/dbraw/zinc/54/58/28/651545828.db2.gz ZTTSTUMDODEDPD-CYBMUJFWSA-N 1 1 388.281 2.151 20 0 GEADMO O=S(=O)(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524062 651552017 /nfs/dbraw/zinc/55/20/17/651552017.db2.gz OPYVYYOXNHQMFQ-CABCVRRESA-N 1 1 387.343 2.439 20 0 GEADMO COc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000644533092 651552544 /nfs/dbraw/zinc/55/25/44/651552544.db2.gz MIUPGMLHNFRWRY-UHFFFAOYSA-N 1 1 385.283 2.416 20 0 GEADMO CS(=O)(=O)c1cccc(OCCN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000606431138 651553366 /nfs/dbraw/zinc/55/33/66/651553366.db2.gz DNUJXGWYZKXRFE-UHFFFAOYSA-N 1 1 380.535 2.348 20 0 GEADMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644563361 651555005 /nfs/dbraw/zinc/55/50/05/651555005.db2.gz IMEKCNFKKOXBQA-CQSZACIVSA-N 1 1 390.355 2.349 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000564123998 651555928 /nfs/dbraw/zinc/55/59/28/651555928.db2.gz MPEHTCTWNMSFKB-NSHDSACASA-N 1 1 383.212 2.131 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000606754531 651558401 /nfs/dbraw/zinc/55/84/01/651558401.db2.gz OUXGSAXZMZOWOL-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000606754531 651558403 /nfs/dbraw/zinc/55/84/03/651558403.db2.gz OUXGSAXZMZOWOL-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1Br ZINC000606753729 651558571 /nfs/dbraw/zinc/55/85/71/651558571.db2.gz UMCVQCGHFYISNV-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1Br ZINC000606753729 651558573 /nfs/dbraw/zinc/55/85/73/651558573.db2.gz UMCVQCGHFYISNV-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000644707645 651563994 /nfs/dbraw/zinc/56/39/94/651563994.db2.gz XLKCQWYUTVBKJC-UHFFFAOYSA-N 1 1 385.302 2.295 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 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NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000582958776 652468552 /nfs/dbraw/zinc/46/85/52/652468552.db2.gz FUHRYIRUKAALBA-ZDUSSCGKSA-N 1 1 385.917 2.438 20 0 GEADMO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000582958776 652468555 /nfs/dbraw/zinc/46/85/55/652468555.db2.gz FUHRYIRUKAALBA-ZDUSSCGKSA-N 1 1 385.917 2.438 20 0 GEADMO C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000662583681 652468937 /nfs/dbraw/zinc/46/89/37/652468937.db2.gz GJTUCFYBLUKFEV-FOCJUVANSA-N 1 1 384.318 2.063 20 0 GEADMO C[NH2+][C@@H](C(=O)N1CCC(S(C)(=O)=O)CC1)c1cccc(Cl)c1Cl ZINC000662626531 652469581 /nfs/dbraw/zinc/46/95/81/652469581.db2.gz IQQULMFRMNXKSI-CQSZACIVSA-N 1 1 379.309 2.290 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)c1cccc(Cl)c1Cl ZINC000662618056 652469727 /nfs/dbraw/zinc/46/97/27/652469727.db2.gz TWZCSQGSIPUZEX-BFVZDQMLSA-N 1 1 379.309 2.288 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000628750079 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GEADMO CN1CCN(C[C@H](O)C[NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000583376492 652482459 /nfs/dbraw/zinc/48/24/59/652482459.db2.gz QNJQACBUWOESBR-CYBMUJFWSA-N 1 1 396.746 2.224 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000583396334 652483186 /nfs/dbraw/zinc/48/31/86/652483186.db2.gz OEXZGVMHWACQLQ-IOASZLSFSA-N 1 1 396.329 2.095 20 0 GEADMO Cc1nnc(CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000583417807 652483773 /nfs/dbraw/zinc/48/37/73/652483773.db2.gz APLOETVVLLIJKQ-HNNXBMFYSA-N 1 1 377.539 2.263 20 0 GEADMO Cc1nnc(CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000583417807 652483778 /nfs/dbraw/zinc/48/37/78/652483778.db2.gz APLOETVVLLIJKQ-HNNXBMFYSA-N 1 1 377.539 2.263 20 0 GEADMO CN1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CCC1=O ZINC000583638752 652492495 /nfs/dbraw/zinc/49/24/95/652492495.db2.gz IOELLNCDJWGWSO-GFCCVEGCSA-N 1 1 386.265 2.469 20 0 GEADMO [NH3+]C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@@H]1C(F)(F)F ZINC000629562947 652493557 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GEADMO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000819174844 653745445 /nfs/dbraw/zinc/74/54/45/653745445.db2.gz RTXAKGSXGYIGQH-RCCFBDPRSA-N 1 1 383.330 2.450 20 0 GEADMO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000819174844 653745448 /nfs/dbraw/zinc/74/54/48/653745448.db2.gz RTXAKGSXGYIGQH-RCCFBDPRSA-N 1 1 383.330 2.450 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000864843172 653746630 /nfs/dbraw/zinc/74/66/30/653746630.db2.gz ODHPWTQGOLHVNN-IHWYPQMZSA-N 1 1 375.416 2.107 20 0 GEADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000819230290 653746820 /nfs/dbraw/zinc/74/68/20/653746820.db2.gz WIADJAVRRZUHHM-UHFFFAOYSA-N 1 1 389.901 2.121 20 0 GEADMO CSc1nnc(C[NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000819251231 653747139 /nfs/dbraw/zinc/74/71/39/653747139.db2.gz ONNGMXKOFBHMKS-GFCCVEGCSA-N 1 1 388.559 2.358 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000864865627 653747211 /nfs/dbraw/zinc/74/72/11/653747211.db2.gz BUGKUHJWUAAMGV-UHFFFAOYSA-N 1 1 395.754 2.316 20 0 GEADMO C[C@@H](CNC(=O)c1cc(I)nn1C)[N@H+]1CCCC[C@@H]1C ZINC000864871621 653747333 /nfs/dbraw/zinc/74/73/33/653747333.db2.gz ILRNPSLFIXVGHR-QWRGUYRKSA-N 1 1 390.269 2.017 20 0 GEADMO C[C@H](NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)c1ccc(Cl)cc1Cl ZINC000788000810 653747465 /nfs/dbraw/zinc/74/74/65/653747465.db2.gz VKZKHDFLPGTDHX-NSHDSACASA-N 1 1 391.295 2.274 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cn1ccc(Br)cc1=O ZINC000864884758 653747802 /nfs/dbraw/zinc/74/78/02/653747802.db2.gz OYCGRYZIRRMOPY-CQSZACIVSA-N 1 1 384.318 2.382 20 0 GEADMO Cc1[nH]c(=S)sc1CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000842227349 653749111 /nfs/dbraw/zinc/74/91/11/653749111.db2.gz PZTXEUBNSMJXBE-CYBMUJFWSA-N 1 1 396.607 2.449 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C(C)C)c2I)C1 ZINC000864963210 653749620 /nfs/dbraw/zinc/74/96/20/653749620.db2.gz UKLPKWCUQOOJMA-NSHDSACASA-N 1 1 390.269 2.140 20 0 GEADMO O=C(Cc1cccnc1Cl)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000864996983 653750731 /nfs/dbraw/zinc/75/07/31/653750731.db2.gz PGMOCGFBNITLOY-UHFFFAOYSA-N 1 1 379.810 2.391 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C[C@H]1C ZINC000881928055 653751041 /nfs/dbraw/zinc/75/10/41/653751041.db2.gz TVMPVMDAFJPXJK-HUYGQZFBSA-N 1 1 379.592 2.466 20 0 GEADMO COCC[N@H+]1CCCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000865010007 653751206 /nfs/dbraw/zinc/75/12/06/653751206.db2.gz KXYNQDALVXUNBK-UHFFFAOYSA-N 1 1 382.711 2.353 20 0 GEADMO Cc1[nH+]ccn1CCCCNS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000881934801 653751393 /nfs/dbraw/zinc/75/13/93/653751393.db2.gz ZICMZRRVYOMEMO-HSZRJFAPSA-N 1 1 376.548 2.237 20 0 GEADMO C[C@H](CNC(=O)c1cc(Br)n[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000788278502 653753759 /nfs/dbraw/zinc/75/37/59/653753759.db2.gz AKOVHSQVORRJOL-CYBMUJFWSA-N 1 1 392.301 2.113 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000819636459 653755175 /nfs/dbraw/zinc/75/51/75/653755175.db2.gz UQNNAERQENUXED-UHFFFAOYSA-N 1 1 386.290 2.036 20 0 GEADMO COc1cc(Br)ccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000865256809 653758115 /nfs/dbraw/zinc/75/81/15/653758115.db2.gz CWMLAUKDUWGESY-UHFFFAOYSA-N 1 1 388.331 2.466 20 0 GEADMO O=S(=O)(c1ccc(Cl)c2nonc21)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000842483196 653758164 /nfs/dbraw/zinc/75/81/64/653758164.db2.gz HDWYDAXWAYRZDA-ZDUSSCGKSA-N 1 1 378.841 2.211 20 0 GEADMO O=S(=O)(CC=C(Cl)Cl)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000882033717 653758414 /nfs/dbraw/zinc/75/84/14/653758414.db2.gz JKIMUJADKCKHMP-HUUCEWRRSA-N 1 1 393.336 2.108 20 0 GEADMO CCCn1cc(CNc2cc(Br)cnc2N2CC[NH+](C)CC2)nn1 ZINC000865292665 653759175 /nfs/dbraw/zinc/75/91/75/653759175.db2.gz NZJDEBLUQQVGOS-UHFFFAOYSA-N 1 1 394.321 2.210 20 0 GEADMO COc1ncc(Br)cc1C[NH2+]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000865411065 653764625 /nfs/dbraw/zinc/76/46/25/653764625.db2.gz RNRKSLONAUISOP-MRXNPFEDSA-N 1 1 385.350 2.214 20 0 GEADMO Cc1ccnc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1Br ZINC000865430361 653765097 /nfs/dbraw/zinc/76/50/97/653765097.db2.gz SXDPCFGDZVEGMA-LBPRGKRZSA-N 1 1 395.253 2.411 20 0 GEADMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2cnn(C)c2I)C1 ZINC000842829989 653769997 /nfs/dbraw/zinc/76/99/97/653769997.db2.gz LUCFUMBSQIHXHO-NSHDSACASA-N 1 1 391.253 2.302 20 0 GEADMO Brc1ccc(-c2noc(N3CC[NH+]([C@@H]4CCOC4)CC3)n2)cc1 ZINC000865624048 653770241 /nfs/dbraw/zinc/77/02/41/653770241.db2.gz GYHWMNOKFGAUBK-CQSZACIVSA-N 1 1 379.258 2.410 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000820271455 653770686 /nfs/dbraw/zinc/77/06/86/653770686.db2.gz GCWWLLVRXFHTKP-SUHUHFCYSA-N 1 1 378.270 2.037 20 0 GEADMO O=S(=O)(/C=C\c1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000842889550 653772191 /nfs/dbraw/zinc/77/21/91/653772191.db2.gz AMYPPNOZDPTUNH-JECSTDCCSA-N 1 1 381.242 2.336 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)C2)C1 ZINC000820341068 653772695 /nfs/dbraw/zinc/77/26/95/653772695.db2.gz BFRHEZHJJCOUMT-DLBZAZTESA-N 1 1 385.277 2.350 20 0 GEADMO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882268651 653773511 /nfs/dbraw/zinc/77/35/11/653773511.db2.gz DKFYVACSASFJHK-HSZRJFAPSA-N 1 1 379.592 2.468 20 0 GEADMO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882268652 653773529 /nfs/dbraw/zinc/77/35/29/653773529.db2.gz DKFYVACSASFJHK-QHCPKHFHSA-N 1 1 379.592 2.468 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)[C@@H]2C1 ZINC000882279647 653774711 /nfs/dbraw/zinc/77/47/11/653774711.db2.gz QTPLRLBZCXNMMX-GXSJLCMTSA-N 1 1 383.823 2.469 20 0 GEADMO Cc1c(Br)ccc(F)c1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000820494465 653775575 /nfs/dbraw/zinc/77/55/75/653775575.db2.gz GPGKCMJSXDOLAQ-UHFFFAOYSA-N 1 1 384.293 2.216 20 0 GEADMO Cn1ncc(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c1Br ZINC000882330270 653776469 /nfs/dbraw/zinc/77/64/69/653776469.db2.gz WZCPBUWRTVREKB-UHFFFAOYSA-N 1 1 387.322 2.146 20 0 GEADMO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000882336021 653776826 /nfs/dbraw/zinc/77/68/26/653776826.db2.gz FFRGBDATOLLIIZ-UONOGXRCSA-N 1 1 385.357 2.087 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(OC)c3)[C@H]2C1 ZINC000820588592 653777326 /nfs/dbraw/zinc/77/73/26/653777326.db2.gz SOHGTMJRNLTBTJ-JKSUJKDBSA-N 1 1 383.286 2.393 20 0 GEADMO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000882365186 653778184 /nfs/dbraw/zinc/77/81/84/653778184.db2.gz UEBJVGAACMGTRF-STQMWFEESA-N 1 1 385.357 2.085 20 0 GEADMO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000882365186 653778185 /nfs/dbraw/zinc/77/81/85/653778185.db2.gz UEBJVGAACMGTRF-STQMWFEESA-N 1 1 385.357 2.085 20 0 GEADMO C[C@](O)(CNCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843061999 653778360 /nfs/dbraw/zinc/77/83/60/653778360.db2.gz KESNFCNYUYKECD-KRWDZBQOSA-N 1 1 389.309 2.232 20 0 GEADMO CC(C)n1ncc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000865896620 653779079 /nfs/dbraw/zinc/77/90/79/653779079.db2.gz NYVPUOAFGLAVNX-CQSZACIVSA-N 1 1 398.349 2.079 20 0 GEADMO OC[C@H](C[NH+]1CCCCC1)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC000843112265 653779852 /nfs/dbraw/zinc/77/98/52/653779852.db2.gz FJOSYRQCZFVGPV-BBRMVZONSA-N 1 1 375.282 2.058 20 0 GEADMO C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000882425662 653781386 /nfs/dbraw/zinc/78/13/86/653781386.db2.gz ZBZDGUOBOWIFHF-UPCLLVRISA-N 1 1 391.603 2.373 20 0 GEADMO COc1cc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc(Br)c1O ZINC000843220837 653781692 /nfs/dbraw/zinc/78/16/92/653781692.db2.gz WBIUUWXXYKKIFP-JTQLQIEISA-N 1 1 384.230 2.482 20 0 GEADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)no1 ZINC000865983060 653782461 /nfs/dbraw/zinc/78/24/61/653782461.db2.gz CYUZSVSMJWSBSP-AWEZNQCLSA-N 1 1 394.269 2.458 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000882489686 653784488 /nfs/dbraw/zinc/78/44/88/653784488.db2.gz UGBICMKIXQWKLV-MRVPVSSYSA-N 1 1 379.629 2.164 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000882491354 653784752 /nfs/dbraw/zinc/78/47/52/653784752.db2.gz GFJKNVLFQMCZEQ-CVEARBPZSA-N 1 1 394.313 2.151 20 0 GEADMO Cn1nc(Br)c2c1ncnc2N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000882518764 653786432 /nfs/dbraw/zinc/78/64/32/653786432.db2.gz WGONOODDLMRGNE-QWRGUYRKSA-N 1 1 395.305 2.037 20 0 GEADMO C[N@H+]1CCN(c2ccc3nnc(Br)n3n2)[C@@H](Cc2ccccc2)C1 ZINC000882528671 653786785 /nfs/dbraw/zinc/78/67/85/653786785.db2.gz BCFXAMBUQOMQSE-AWEZNQCLSA-N 1 1 387.285 2.250 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843527864 653789241 /nfs/dbraw/zinc/78/92/41/653789241.db2.gz LCDGCPAETHXEFX-UHFFFAOYSA-N 1 1 394.249 2.412 20 0 GEADMO COc1cc(Br)c(C=O)cc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866393492 653792724 /nfs/dbraw/zinc/79/27/24/653792724.db2.gz OWWZAILGJNWPCK-UHFFFAOYSA-N 1 1 392.271 2.073 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCc2cc(Br)ccc21 ZINC000843778714 653793658 /nfs/dbraw/zinc/79/36/58/653793658.db2.gz JNRBNYYICFKYPX-BFYDXBDKSA-N 1 1 379.298 2.458 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790667867 653795561 /nfs/dbraw/zinc/79/55/61/653795561.db2.gz BRKMHLLXAGYVMD-GOEBONIOSA-N 1 1 377.360 2.239 20 0 GEADMO C[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)CC[N@@H+]1C ZINC000790672833 653795741 /nfs/dbraw/zinc/79/57/41/653795741.db2.gz CQLMTMMZZHJRMX-MRVPVSSYSA-N 1 1 377.080 2.383 20 0 GEADMO C[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)CC[N@H+]1C ZINC000790672833 653795745 /nfs/dbraw/zinc/79/57/45/653795745.db2.gz CQLMTMMZZHJRMX-MRVPVSSYSA-N 1 1 377.080 2.383 20 0 GEADMO CC[N@H+](CCn1cnc(Br)n1)CC(=O)Nc1cccc(OC)c1 ZINC000821362253 653795991 /nfs/dbraw/zinc/79/59/91/653795991.db2.gz FNGXSTBJUIPMMP-UHFFFAOYSA-N 1 1 382.262 2.010 20 0 GEADMO CC[N@@H+](CCn1cnc(Br)n1)CC(=O)Nc1cccc(OC)c1 ZINC000821362253 653795993 /nfs/dbraw/zinc/79/59/93/653795993.db2.gz FNGXSTBJUIPMMP-UHFFFAOYSA-N 1 1 382.262 2.010 20 0 GEADMO Brc1ncn(CCN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000821367676 653796275 /nfs/dbraw/zinc/79/62/75/653796275.db2.gz DYECFHZCLDLNAZ-QPJJXVBHSA-N 1 1 376.302 2.372 20 0 GEADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2nc(Br)sc2C)C[C@@H]1C ZINC000844023983 653799244 /nfs/dbraw/zinc/79/92/44/653799244.db2.gz HAYSICGAAJGTOA-AOOOYVTPSA-N 1 1 376.320 2.395 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2nc(Br)sc2C)C[C@@H]1C ZINC000844023983 653799247 /nfs/dbraw/zinc/79/92/47/653799247.db2.gz HAYSICGAAJGTOA-AOOOYVTPSA-N 1 1 376.320 2.395 20 0 GEADMO C[N@@H+]1C[C@@H](CNC(=O)CSc2n[nH]c(=S)s2)[C@H](c2ccccc2)C1 ZINC000844050222 653800102 /nfs/dbraw/zinc/80/01/02/653800102.db2.gz XXTKNDVELCYDOW-OLZOCXBDSA-N 1 1 380.564 2.381 20 0 GEADMO C[N@H+]1C[C@@H](CNC(=O)CSc2n[nH]c(=S)s2)[C@H](c2ccccc2)C1 ZINC000844050222 653800103 /nfs/dbraw/zinc/80/01/03/653800103.db2.gz XXTKNDVELCYDOW-OLZOCXBDSA-N 1 1 380.564 2.381 20 0 GEADMO C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@]1(O)CCc2ccccc21 ZINC000844346050 653805426 /nfs/dbraw/zinc/80/54/26/653805426.db2.gz GFDULKCKFVCBPL-SFHVURJKSA-N 1 1 380.897 2.253 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866643327 653807748 /nfs/dbraw/zinc/80/77/48/653807748.db2.gz HAEILRLYRQFGEY-QGZVFWFLSA-N 1 1 387.571 2.241 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791333982 653809246 /nfs/dbraw/zinc/80/92/46/653809246.db2.gz UHLJNPWXHCZUKB-IJEWVQPXSA-N 1 1 396.329 2.487 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791333982 653809249 /nfs/dbraw/zinc/80/92/49/653809249.db2.gz UHLJNPWXHCZUKB-IJEWVQPXSA-N 1 1 396.329 2.487 20 0 GEADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674606 653809886 /nfs/dbraw/zinc/80/98/86/653809886.db2.gz BCXDCLCZPBEBFC-UONOGXRCSA-N 1 1 381.885 2.030 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C[N@H+]1C ZINC000844641553 653810882 /nfs/dbraw/zinc/81/08/82/653810882.db2.gz REAFCVAFFZXAOL-XQQFMLRXSA-N 1 1 387.933 2.143 20 0 GEADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000894990021 653811372 /nfs/dbraw/zinc/81/13/72/653811372.db2.gz AGZXERQAAIYAPU-HIFRSBDPSA-N 1 1 383.233 2.427 20 0 GEADMO Cn1nc(Br)nc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000894999536 653811723 /nfs/dbraw/zinc/81/17/23/653811723.db2.gz UHXGUZWKYKLAJG-HNNXBMFYSA-N 1 1 395.301 2.198 20 0 GEADMO COC(=O)[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844690549 653813321 /nfs/dbraw/zinc/81/33/21/653813321.db2.gz XOLISKBWBKRORM-ZDUSSCGKSA-N 1 1 379.254 2.127 20 0 GEADMO COC(=O)[C@H]1CC[N@@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844690549 653813322 /nfs/dbraw/zinc/81/33/22/653813322.db2.gz XOLISKBWBKRORM-ZDUSSCGKSA-N 1 1 379.254 2.127 20 0 GEADMO CCO[C@@H]1C[N@H+](CN2CCSC2=S)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844726716 653815838 /nfs/dbraw/zinc/81/58/38/653815838.db2.gz WDPPWHFXFCFOFZ-CHWSQXEVSA-N 1 1 375.560 2.139 20 0 GEADMO CCO[C@@H]1C[N@@H+](CN2CCSC2=S)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844726716 653815841 /nfs/dbraw/zinc/81/58/41/653815841.db2.gz WDPPWHFXFCFOFZ-CHWSQXEVSA-N 1 1 375.560 2.139 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000866767016 653821741 /nfs/dbraw/zinc/82/17/41/653821741.db2.gz HLPFLYDFDMAXFS-IUESOHQZSA-N 1 1 385.555 2.134 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000866767016 653821745 /nfs/dbraw/zinc/82/17/45/653821745.db2.gz HLPFLYDFDMAXFS-IUESOHQZSA-N 1 1 385.555 2.134 20 0 GEADMO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000866771189 653822724 /nfs/dbraw/zinc/82/27/24/653822724.db2.gz OCSZGHGZXZFUDB-GFCCVEGCSA-N 1 1 395.897 2.075 20 0 GEADMO O=C([C@@H]1CSCCS1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000844850570 653822746 /nfs/dbraw/zinc/82/27/46/653822746.db2.gz UTLIARGKMMNMCP-SQNIBIBYSA-N 1 1 378.563 2.337 20 0 GEADMO Cc1ccnc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c1Br ZINC000895206276 653822786 /nfs/dbraw/zinc/82/27/86/653822786.db2.gz IMCCFLMUDREEHZ-UHFFFAOYSA-N 1 1 386.290 2.224 20 0 GEADMO CN1CCN(c2ccc(NC(=O)C[C@H]3CC[N@@H+](C)C3)cc2Br)CC1 ZINC000822339584 653824025 /nfs/dbraw/zinc/82/40/25/653824025.db2.gz GXZCDZKZMFSEAH-CQSZACIVSA-N 1 1 395.345 2.481 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cc(N)nc(Br)c1)CCC(F)(F)F ZINC000822419140 653827127 /nfs/dbraw/zinc/82/71/27/653827127.db2.gz GZLMBSYIACOZLE-UHFFFAOYSA-N 1 1 383.212 2.430 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000895323425 653827561 /nfs/dbraw/zinc/82/75/61/653827561.db2.gz COWILTBSACNSMS-WMLDXEAASA-N 1 1 380.286 2.261 20 0 GEADMO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866799447 653828484 /nfs/dbraw/zinc/82/84/84/653828484.db2.gz IBHZZSDURYYYJO-HNNXBMFYSA-N 1 1 385.555 2.308 20 0 GEADMO Cn1ncc(I)c1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895359467 653829748 /nfs/dbraw/zinc/82/97/48/653829748.db2.gz FXMUNGUBLZAYAP-ZDUSSCGKSA-N 1 1 388.297 2.236 20 0 GEADMO CN(C(=O)Nc1cn(C)cc(Br)c1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822585135 653832738 /nfs/dbraw/zinc/83/27/38/653832738.db2.gz UHVZVRYOMMZBRJ-FOSCPWQOSA-N 1 1 383.290 2.237 20 0 GEADMO CN(C)c1ncc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cn1 ZINC000883233935 653832746 /nfs/dbraw/zinc/83/27/46/653832746.db2.gz SPKOBEWWOGILMX-WOVMCDHWSA-N 1 1 377.286 2.445 20 0 GEADMO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895409043 653833282 /nfs/dbraw/zinc/83/32/82/653833282.db2.gz RZDQFWCDSZEHPM-LLVKDONJSA-N 1 1 380.242 2.469 20 0 GEADMO CCn1c(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)nc(Br)c1Br ZINC000895435507 653834199 /nfs/dbraw/zinc/83/41/99/653834199.db2.gz ZPTQKSPLADYBEH-OCAPTIKFSA-N 1 1 395.095 2.469 20 0 GEADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1csc(I)n1 ZINC000822811208 653841231 /nfs/dbraw/zinc/84/12/31/653841231.db2.gz BWVZVFJGEYYSPW-QMMMGPOBSA-N 1 1 390.250 2.319 20 0 GEADMO Cn1nc(Br)c2c1ncnc2N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895571627 653841326 /nfs/dbraw/zinc/84/13/26/653841326.db2.gz KHDUBQHGYRFBCY-UWVGGRQHSA-N 1 1 383.319 2.118 20 0 GEADMO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000895638277 653844226 /nfs/dbraw/zinc/84/42/26/653844226.db2.gz DVCUUDHXKAGLRO-JTQLQIEISA-N 1 1 382.251 2.292 20 0 GEADMO C[C@@H](NC(=O)NCCc1sccc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000883538431 653844848 /nfs/dbraw/zinc/84/48/48/653844848.db2.gz UTDACAKJOROUHQ-ZYHUDNBSSA-N 1 1 376.320 2.071 20 0 GEADMO C[C@@H](NC(=O)NCCc1sccc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000883538431 653844855 /nfs/dbraw/zinc/84/48/55/653844855.db2.gz UTDACAKJOROUHQ-ZYHUDNBSSA-N 1 1 376.320 2.071 20 0 GEADMO NS(=O)(=O)c1ccccc1N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822946556 653846841 /nfs/dbraw/zinc/84/68/41/653846841.db2.gz FLCSFZAZLNQSAH-GFCCVEGCSA-N 1 1 378.325 2.040 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895788224 653850340 /nfs/dbraw/zinc/85/03/40/653850340.db2.gz MBQXSRKEAKPHFH-HNNXBMFYSA-N 1 1 392.253 2.242 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000823033747 653850985 /nfs/dbraw/zinc/85/09/85/653850985.db2.gz IJIKSNFWZBWBTF-NSHDSACASA-N 1 1 376.400 2.194 20 0 GEADMO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866948000 653853561 /nfs/dbraw/zinc/85/35/61/653853561.db2.gz VEDVRVREYGNGKH-XMMPIXPASA-N 1 1 385.511 2.045 20 0 GEADMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792914652 653855854 /nfs/dbraw/zinc/85/58/54/653855854.db2.gz QWDCHPAAAXBGLE-CJNGLKHVSA-N 1 1 377.312 2.304 20 0 GEADMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792914652 653855858 /nfs/dbraw/zinc/85/58/58/653855858.db2.gz QWDCHPAAAXBGLE-CJNGLKHVSA-N 1 1 377.312 2.304 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908344 653856492 /nfs/dbraw/zinc/85/64/92/653856492.db2.gz IHGGDBKYTXIDIL-IRXDYDNUSA-N 1 1 380.535 2.354 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000895908344 653856495 /nfs/dbraw/zinc/85/64/95/653856495.db2.gz IHGGDBKYTXIDIL-IRXDYDNUSA-N 1 1 380.535 2.354 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792953589 653857403 /nfs/dbraw/zinc/85/74/03/653857403.db2.gz RLOZNJVEJJNOBP-YPMHNXCESA-N 1 1 397.317 2.328 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000845676691 653858902 /nfs/dbraw/zinc/85/89/02/653858902.db2.gz QJRHEOSMXYNJKE-STQMWFEESA-N 1 1 380.316 2.239 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000845676691 653858903 /nfs/dbraw/zinc/85/89/03/653858903.db2.gz QJRHEOSMXYNJKE-STQMWFEESA-N 1 1 380.316 2.239 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000823240867 653859166 /nfs/dbraw/zinc/85/91/66/653859166.db2.gz HLUMNODDMBNMRN-UHFFFAOYSA-N 1 1 395.301 2.280 20 0 GEADMO COCC(COC)[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000823233574 653859328 /nfs/dbraw/zinc/85/93/28/653859328.db2.gz BVVODXHNYRKXNY-KRWDZBQOSA-N 1 1 377.312 2.306 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc1Br ZINC000793005111 653861170 /nfs/dbraw/zinc/86/11/70/653861170.db2.gz LATHMOBRAAETNO-CHWSQXEVSA-N 1 1 395.301 2.034 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc1Br ZINC000793046175 653864031 /nfs/dbraw/zinc/86/40/31/653864031.db2.gz IAXKQUKBKDPZGQ-OLZOCXBDSA-N 1 1 395.301 2.034 20 0 GEADMO C[C@@H]1[C@H](COC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@H+]1C ZINC000845813192 653864323 /nfs/dbraw/zinc/86/43/23/653864323.db2.gz AQLUWKAYCLXRAU-NEPJUHHUSA-N 1 1 394.269 2.042 20 0 GEADMO [NH3+]Cc1ocnc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000884119154 653864645 /nfs/dbraw/zinc/86/46/45/653864645.db2.gz DFPVTMDKANNEFA-UHFFFAOYSA-N 1 1 394.269 2.374 20 0 GEADMO [NH3+]Cc1ocnc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000884232655 653868984 /nfs/dbraw/zinc/86/89/84/653868984.db2.gz XTBBQFDDAYJJQP-UHFFFAOYSA-N 1 1 393.285 2.290 20 0 GEADMO Cc1cnc(Br)c(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000823491140 653869921 /nfs/dbraw/zinc/86/99/21/653869921.db2.gz DCQIJCWTQSUPPR-CYBMUJFWSA-N 1 1 383.290 2.215 20 0 GEADMO N[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(Br)cc1 ZINC000884287584 653870550 /nfs/dbraw/zinc/87/05/50/653870550.db2.gz GAHDGRPMXSAAKV-GWCFXTLKSA-N 1 1 381.299 2.360 20 0 GEADMO CN1C(=O)NCC12CC[NH+](C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000823649690 653875301 /nfs/dbraw/zinc/87/53/01/653875301.db2.gz INBUXDAABQCBDE-CQSZACIVSA-N 1 1 386.265 2.111 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000884399219 653875359 /nfs/dbraw/zinc/87/53/59/653875359.db2.gz YSBRFNYUXIZOHO-HOTGVXAUSA-N 1 1 382.599 2.070 20 0 GEADMO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC[NH+](CCCF)CC1 ZINC000823651646 653875705 /nfs/dbraw/zinc/87/57/05/653875705.db2.gz BCETWXNAYJXNLI-CQSZACIVSA-N 1 1 398.276 2.379 20 0 GEADMO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)nn1 ZINC000896381906 653876969 /nfs/dbraw/zinc/87/69/69/653876969.db2.gz SMXXHVJGJYJCBS-LBPRGKRZSA-N 1 1 379.258 2.225 20 0 GEADMO Brc1ccccc1-n1cc(C[N@H+]2CC[C@H](C3OCCO3)C2)nn1 ZINC000896381906 653876971 /nfs/dbraw/zinc/87/69/71/653876971.db2.gz SMXXHVJGJYJCBS-LBPRGKRZSA-N 1 1 379.258 2.225 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)C[C@@H]2C1 ZINC000823784370 653879560 /nfs/dbraw/zinc/87/95/60/653879560.db2.gz RAWYCGCURIEDDL-DYEKYZERSA-N 1 1 392.297 2.285 20 0 GEADMO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC000896526029 653882176 /nfs/dbraw/zinc/88/21/76/653882176.db2.gz FHDRUTXLOBFYEV-XOYXNHQRSA-N 1 1 392.341 2.085 20 0 GEADMO C[C@@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896538576 653883209 /nfs/dbraw/zinc/88/32/09/653883209.db2.gz FLZTWNHFHGTNFR-PXAZEXFGSA-N 1 1 391.313 2.361 20 0 GEADMO C[C@H](NC(=O)c1nc2ccccc2cc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541547 653883645 /nfs/dbraw/zinc/88/36/45/653883645.db2.gz KTKMLKVJUKDHAH-LRDDRELGSA-N 1 1 391.313 2.361 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896543445 653884060 /nfs/dbraw/zinc/88/40/60/653884060.db2.gz XYHOFDKFYHBASL-IUODEOHRSA-N 1 1 384.318 2.130 20 0 GEADMO COCC[N@@H+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C(C)(C)C1 ZINC000824060272 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C[C@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 ZINC000903618642 654268096 /nfs/dbraw/zinc/26/80/96/654268096.db2.gz NTPXACRPMPPNQE-LFPIHBKWSA-N 1 1 388.559 2.150 20 0 GEADMO O=C(C=C1CC[NH2+]CC1)Nc1nc2ccc(I)cc2[nH]1 ZINC000852916293 654268364 /nfs/dbraw/zinc/26/83/64/654268364.db2.gz CJRZQZJDLBBDJN-UHFFFAOYSA-N 1 1 382.205 2.416 20 0 GEADMO NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@]3(CCSC3)C1)CCC2 ZINC000832505630 654270379 /nfs/dbraw/zinc/27/03/79/654270379.db2.gz MCIJKIPWJSSOJI-GOSISDBHSA-N 1 1 379.551 2.493 20 0 GEADMO NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@]3(CCSC3)C1)CCC2 ZINC000832505630 654270380 /nfs/dbraw/zinc/27/03/80/654270380.db2.gz MCIJKIPWJSSOJI-GOSISDBHSA-N 1 1 379.551 2.493 20 0 GEADMO COc1cc(NC(=S)NCCC[NH+]2CCOCC2)ccc1OC(F)F ZINC000853037035 654273757 /nfs/dbraw/zinc/27/37/57/654273757.db2.gz RFLVSBRDKWGLOI-UHFFFAOYSA-N 1 1 375.441 2.305 20 0 GEADMO Brc1ccc(N2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903731780 654282014 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GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892704986 654360515 /nfs/dbraw/zinc/36/05/15/654360515.db2.gz WEBBVHNHCGKQGC-CQSZACIVSA-N 1 1 380.901 2.093 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835128268 654363501 /nfs/dbraw/zinc/36/35/01/654363501.db2.gz LLSZWXLQZYIYDF-ZDUSSCGKSA-N 1 1 397.317 2.472 20 0 GEADMO CN(CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000922090567 654366263 /nfs/dbraw/zinc/36/62/63/654366263.db2.gz VWNJTMKIQVHEOR-UHFFFAOYSA-N 1 1 386.880 2.490 20 0 GEADMO CCO[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CN(C)C ZINC000905580330 654367413 /nfs/dbraw/zinc/36/74/13/654367413.db2.gz OHIAFXAYLHEJKW-CJNGLKHVSA-N 1 1 377.298 2.352 20 0 GEADMO O=C1C[C@@H]([NH2+]Cc2nc(Br)c[nH]2)[C@H](c2cccnc2)N1C1CC1 ZINC000922118866 654369475 /nfs/dbraw/zinc/36/94/75/654369475.db2.gz JTCCXAGEVYJRKL-WBMJQRKESA-N 1 1 376.258 2.161 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642349 654372365 /nfs/dbraw/zinc/37/23/65/654372365.db2.gz KPEDJHLFPNHQKA-UONOGXRCSA-N 1 1 399.333 2.336 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000854643803 654372699 /nfs/dbraw/zinc/37/26/99/654372699.db2.gz YDEDILISMIKXBC-MNOVXSKESA-N 1 1 399.314 2.094 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000854643805 654372840 /nfs/dbraw/zinc/37/28/40/654372840.db2.gz YDEDILISMIKXBC-WDEREUQCSA-N 1 1 399.314 2.094 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1Br ZINC000854643095 654372860 /nfs/dbraw/zinc/37/28/60/654372860.db2.gz QQWVUHCQJGITGM-OLZOCXBDSA-N 1 1 388.693 2.433 20 0 GEADMO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000922205459 654375752 /nfs/dbraw/zinc/37/57/52/654375752.db2.gz LAWKOZFKNHHLBV-CQSZACIVSA-N 1 1 382.306 2.397 20 0 GEADMO CCOC(=O)c1ncc(Br)c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000893093441 654381803 /nfs/dbraw/zinc/38/18/03/654381803.db2.gz YUBNITPULGEOKP-UHFFFAOYSA-N 1 1 383.290 2.480 20 0 GEADMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000922291247 654381748 /nfs/dbraw/zinc/38/17/48/654381748.db2.gz WFDBGQGVMVXLMH-SWLSCSKDSA-N 1 1 397.317 2.458 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](COC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C1 ZINC000893106684 654382636 /nfs/dbraw/zinc/38/26/36/654382636.db2.gz PRSHGLCFZYXDMD-CHWSQXEVSA-N 1 1 385.555 2.315 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H](C)[N@H+]1CCO ZINC000854826474 654384697 /nfs/dbraw/zinc/38/46/97/654384697.db2.gz LHFGYSWJVNEMCL-PHIMTYICSA-N 1 1 392.244 2.053 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H](C)[N@@H+]1CCO ZINC000854826474 654384702 /nfs/dbraw/zinc/38/47/02/654384702.db2.gz LHFGYSWJVNEMCL-PHIMTYICSA-N 1 1 392.244 2.053 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)c2csc(I)n2)CC1 ZINC000854850565 654385906 /nfs/dbraw/zinc/38/59/06/654385906.db2.gz KMOLGQOPVLQTGH-SECBINFHSA-N 1 1 379.267 2.304 20 0 GEADMO CC(C)O[C@@]1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCOC1 ZINC000905861856 654385961 /nfs/dbraw/zinc/38/59/61/654385961.db2.gz KTMWFQNLRDAGAC-GDBMZVCRSA-N 1 1 389.265 2.288 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(F)cc1Cl ZINC000872663281 654387226 /nfs/dbraw/zinc/38/72/26/654387226.db2.gz COZMKISWIBYPEW-KGLIPLIRSA-N 1 1 390.864 2.123 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(F)cc1Cl ZINC000872663281 654387227 /nfs/dbraw/zinc/38/72/27/654387227.db2.gz COZMKISWIBYPEW-KGLIPLIRSA-N 1 1 390.864 2.123 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(F)cc1Cl ZINC000872663282 654387263 /nfs/dbraw/zinc/38/72/63/654387263.db2.gz COZMKISWIBYPEW-UONOGXRCSA-N 1 1 390.864 2.123 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(F)cc1Cl ZINC000872663282 654387265 /nfs/dbraw/zinc/38/72/65/654387265.db2.gz COZMKISWIBYPEW-UONOGXRCSA-N 1 1 390.864 2.123 20 0 GEADMO COc1nccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1F ZINC000893179042 654387491 /nfs/dbraw/zinc/38/74/91/654387491.db2.gz KVGQOSUAWYEUEA-UHFFFAOYSA-N 1 1 379.866 2.012 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC[N@H+]1C ZINC000893221085 654390377 /nfs/dbraw/zinc/39/03/77/654390377.db2.gz MRDQCJMKQXZGRN-ISTRZQFTSA-N 1 1 384.318 2.439 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)C[N@@H+]1CCO ZINC000854954846 654390970 /nfs/dbraw/zinc/39/09/70/654390970.db2.gz LAYHWCLTSGDHJQ-MNOVXSKESA-N 1 1 392.244 2.053 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)C[N@H+]1CCO ZINC000854954846 654390977 /nfs/dbraw/zinc/39/09/77/654390977.db2.gz LAYHWCLTSGDHJQ-MNOVXSKESA-N 1 1 392.244 2.053 20 0 GEADMO COc1ncc(Br)cc1C[NH2+]Cc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000922496941 654397617 /nfs/dbraw/zinc/39/76/17/654397617.db2.gz LAFOSNLXZURGJL-UHFFFAOYSA-N 1 1 397.273 2.160 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000855162300 654398961 /nfs/dbraw/zinc/39/89/61/654398961.db2.gz WFZHERLYACBWEQ-NSHDSACASA-N 1 1 380.290 2.342 20 0 GEADMO Cc1cc(CO)cc(C)c1C[NH2+]Cc1c(I)cnn1C ZINC000922561472 654401408 /nfs/dbraw/zinc/40/14/08/654401408.db2.gz AYEIQDLKYJMIAO-UHFFFAOYSA-N 1 1 385.249 2.424 20 0 GEADMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855346418 654414113 /nfs/dbraw/zinc/41/41/13/654414113.db2.gz BAMXOSYMNRWFPT-GUYCJALGSA-N 1 1 398.345 2.141 20 0 GEADMO C[NH+]1CCC(n2ccc(NS(=O)(=O)C[C@@]3(C)CC3(Cl)Cl)n2)CC1 ZINC000906074486 654414731 /nfs/dbraw/zinc/41/47/31/654414731.db2.gz HHOLJAUYUUGLNP-CYBMUJFWSA-N 1 1 381.329 2.475 20 0 GEADMO CCn1c(C[NH2+]CCO[C@@H]2CCOC2)nc(Br)c1Br ZINC000922936281 654420715 /nfs/dbraw/zinc/42/07/15/654420715.db2.gz DSFKNIFTYJTCNU-SECBINFHSA-N 1 1 397.111 2.323 20 0 GEADMO COc1ccc([C@H](C)[NH2+]Cc2cn(Cc3ncon3)nn2)cc1Br ZINC000906287332 654425265 /nfs/dbraw/zinc/42/52/65/654425265.db2.gz PPCTYKYMBMAUBR-JTQLQIEISA-N 1 1 393.245 2.331 20 0 GEADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cnnn1-c1ccccc1Br ZINC000906361490 654431195 /nfs/dbraw/zinc/43/11/95/654431195.db2.gz IINMBCAJCHXVLR-GFCCVEGCSA-N 1 1 390.285 2.244 20 0 GEADMO 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O=C(CNC(=O)Nc1cccc(Cl)c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928081973 654629062 /nfs/dbraw/zinc/62/90/62/654629062.db2.gz PQNGXGKJGLLBCV-GJZGRUSLSA-N 1 1 382.917 2.158 20 0 GEADMO COc1ncc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1Br ZINC000928080084 654629093 /nfs/dbraw/zinc/62/90/93/654629093.db2.gz OQEAOHPEMRLGDA-STQMWFEESA-N 1 1 386.315 2.162 20 0 GEADMO COc1ncc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1Br ZINC000928080084 654629095 /nfs/dbraw/zinc/62/90/95/654629095.db2.gz OQEAOHPEMRLGDA-STQMWFEESA-N 1 1 386.315 2.162 20 0 GEADMO Cn1ccnc1[C@H](CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(F)(F)F ZINC000928085055 654629348 /nfs/dbraw/zinc/62/93/48/654629348.db2.gz GHMQRIUPBHKYOW-YNEHKIRRSA-N 1 1 376.448 2.152 20 0 GEADMO O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085635 654629485 /nfs/dbraw/zinc/62/94/85/654629485.db2.gz JIVJDIGXOAORSW-GHMZBOCLSA-N 1 1 376.391 2.287 20 0 GEADMO CSc1nc(C)c(CCC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(C)n1 ZINC000928095377 654630250 /nfs/dbraw/zinc/63/02/50/654630250.db2.gz JLSJWRIAVDTBHV-JKSUJKDBSA-N 1 1 380.583 2.444 20 0 GEADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Br)cc1Cl ZINC000908453298 654630410 /nfs/dbraw/zinc/63/04/10/654630410.db2.gz VOQHHGNNYOCBHD-DOMZBBRYSA-N 1 1 375.694 2.216 20 0 GEADMO O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928096902 654630670 /nfs/dbraw/zinc/63/06/70/654630670.db2.gz NNNXKRISDMQFJA-STQMWFEESA-N 1 1 378.523 2.427 20 0 GEADMO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928097528 654631067 /nfs/dbraw/zinc/63/10/67/654631067.db2.gz PUBOIVLAELHHRM-ZIAGYGMSSA-N 1 1 378.523 2.427 20 0 GEADMO CCc1csc(-n2cc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)cn2)n1 ZINC000928102486 654631199 /nfs/dbraw/zinc/63/11/99/654631199.db2.gz IHHIRXGWEAYFTG-LSDHHAIUSA-N 1 1 377.539 2.201 20 0 GEADMO CCc1csc(-n2cc(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)cn2)n1 ZINC000928102486 654631202 /nfs/dbraw/zinc/63/12/02/654631202.db2.gz IHHIRXGWEAYFTG-LSDHHAIUSA-N 1 1 377.539 2.201 20 0 GEADMO O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928359181 654643430 /nfs/dbraw/zinc/64/34/30/654643430.db2.gz SRWSSNHZRFQPCK-OAHLLOKOSA-N 1 1 397.317 2.405 20 0 GEADMO C[C@@H]1[C@H](NC(=O)c2ccnc(Cl)c2I)CC[N@H+]1C ZINC000928440720 654647551 /nfs/dbraw/zinc/64/75/51/654647551.db2.gz MRCDTCJKBXPZLX-VXNVDRBHSA-N 1 1 379.629 2.162 20 0 GEADMO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000928452607 654647936 /nfs/dbraw/zinc/64/79/36/654647936.db2.gz NFLYKAMKXBYRJE-HFBAOOFYSA-N 1 1 382.302 2.225 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC[N@H+]1C ZINC000928450105 654647948 /nfs/dbraw/zinc/64/79/48/654647948.db2.gz SASRIKKVXKDOEQ-YPMHNXCESA-N 1 1 399.563 2.111 20 0 GEADMO C[N@H+]1CC[C@@H]1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000928567933 654652235 /nfs/dbraw/zinc/65/22/35/654652235.db2.gz YHIPSEQSCGNAAE-SNVBAGLBSA-N 1 1 385.287 2.314 20 0 GEADMO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cnc1Br ZINC000929199008 654675503 /nfs/dbraw/zinc/67/55/03/654675503.db2.gz NAFPGGXYGXWOHR-OAHLLOKOSA-N 1 1 382.302 2.223 20 0 GEADMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cnc1Br ZINC000929199008 654675506 /nfs/dbraw/zinc/67/55/06/654675506.db2.gz NAFPGGXYGXWOHR-OAHLLOKOSA-N 1 1 382.302 2.223 20 0 GEADMO CNC(=O)C1CC[NH+](Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC000929195833 654675582 /nfs/dbraw/zinc/67/55/82/654675582.db2.gz SNGUFAQGDYGZCC-UHFFFAOYSA-N 1 1 399.285 2.202 20 0 GEADMO Brc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)s1 ZINC000929236980 654676460 /nfs/dbraw/zinc/67/64/60/654676460.db2.gz ONFOCDHBPGPJAG-KCQAQPDRSA-N 1 1 387.343 2.432 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)C1(O)CCOCC1 ZINC000929346995 654680560 /nfs/dbraw/zinc/68/05/60/654680560.db2.gz ACEYTLXBRDMZKJ-IAGOWNOFSA-N 1 1 384.314 2.358 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929463636 654684860 /nfs/dbraw/zinc/68/48/60/654684860.db2.gz YFUUFZOIJCOXJL-TZMCWYRMSA-N 1 1 380.286 2.475 20 0 GEADMO CCc1onc(C)c1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000929633429 654689196 /nfs/dbraw/zinc/68/91/96/654689196.db2.gz WPDOGJGADGYGMT-UHFFFAOYSA-N 1 1 383.436 2.334 20 0 GEADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC000929660026 654689698 /nfs/dbraw/zinc/68/96/98/654689698.db2.gz OTPGNMHXFUDEKB-OAHLLOKOSA-N 1 1 387.571 2.268 20 0 GEADMO CC[N@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@H](C)C1 ZINC000910290221 654695379 /nfs/dbraw/zinc/69/53/79/654695379.db2.gz YSRWMUWGEYOILQ-GFCCVEGCSA-N 1 1 386.290 2.057 20 0 GEADMO CC[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)C1 ZINC000910297869 654695444 /nfs/dbraw/zinc/69/54/44/654695444.db2.gz LIMJCSHQWGPNIK-CYBMUJFWSA-N 1 1 387.933 2.147 20 0 GEADMO COc1cc(Br)cc(C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000930204144 654701745 /nfs/dbraw/zinc/70/17/45/654701745.db2.gz HUNCHSPHPYRNTB-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO Cc1cccc(NCCNC(=O)Nc2cc(Br)cn(C)c2=O)[nH+]1 ZINC000930295808 654704957 /nfs/dbraw/zinc/70/49/57/654704957.db2.gz NUJUSPKLZWLNSF-UHFFFAOYSA-N 1 1 380.246 2.085 20 0 GEADMO C[C@](O)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000930368490 654707476 /nfs/dbraw/zinc/70/74/76/654707476.db2.gz SZTZECFSWJAATF-APPDUMDISA-N 1 1 385.277 2.396 20 0 GEADMO CCCSc1nsc(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000930401822 654709061 /nfs/dbraw/zinc/70/90/61/654709061.db2.gz LVYQAOGURJAFDR-CYBMUJFWSA-N 1 1 384.575 2.284 20 0 GEADMO CCOC(=O)c1cnn(C2CC[NH+](CC[S@@](=O)C(F)(F)F)CC2)c1C ZINC000930437709 654710086 /nfs/dbraw/zinc/71/00/86/654710086.db2.gz IBNQTTUNWLNNDJ-RUZDIDTESA-N 1 1 381.420 2.274 20 0 GEADMO CN1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+](C)CC1 ZINC000930531088 654712547 /nfs/dbraw/zinc/71/25/47/654712547.db2.gz YTMRFAWPSGLFKP-UHFFFAOYSA-N 1 1 391.260 2.438 20 0 GEADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000910872699 654713147 /nfs/dbraw/zinc/71/31/47/654713147.db2.gz CCXWCSAIADBMPI-UHFFFAOYSA-N 1 1 388.965 2.417 20 0 GEADMO C[C@@H]1CN(Cc2c(I)cnn2C)CC[N@H+](C2CCC2)C1 ZINC000930559333 654713470 /nfs/dbraw/zinc/71/34/70/654713470.db2.gz OSDUDQCIDRWUQW-GFCCVEGCSA-N 1 1 388.297 2.331 20 0 GEADMO CSC[C@@H]1CCC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000930560461 654713663 /nfs/dbraw/zinc/71/36/63/654713663.db2.gz PXIZRBPXVRVSMP-HUUCEWRRSA-N 1 1 378.604 2.063 20 0 GEADMO COc1cc(F)c(Br)cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000910917178 654713897 /nfs/dbraw/zinc/71/38/97/654713897.db2.gz NFUXRFWNFYYXLI-HNNXBMFYSA-N 1 1 375.238 2.382 20 0 GEADMO O[C@@H](C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1(O)CCOCC1 ZINC000930569459 654714118 /nfs/dbraw/zinc/71/41/18/654714118.db2.gz SRZIMEGNBWXQAN-RDJZCZTQSA-N 1 1 384.314 2.216 20 0 GEADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](CCc2ccns2)CC1)C(F)(F)F ZINC000930641956 654715872 /nfs/dbraw/zinc/71/58/72/654715872.db2.gz MLVPVCVWQWFMOH-KGLIPLIRSA-N 1 1 377.432 2.234 20 0 GEADMO Cc1c(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)n(C)nc1C(F)(F)F ZINC000930853682 654721931 /nfs/dbraw/zinc/72/19/31/654721931.db2.gz VCRBEINDQIRPAG-WDEREUQCSA-N 1 1 377.436 2.449 20 0 GEADMO O=C(c1cnnn1-c1ccccc1Br)N1CC[NH+](CCCF)CC1 ZINC000911590862 654727168 /nfs/dbraw/zinc/72/71/68/654727168.db2.gz WRXBJFWRFLKFFX-UHFFFAOYSA-N 1 1 396.264 2.147 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1F ZINC000931190205 654732395 /nfs/dbraw/zinc/73/23/95/654732395.db2.gz QPTAVPIJTZATJS-GHMZBOCLSA-N 1 1 375.213 2.320 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931234609 654735478 /nfs/dbraw/zinc/73/54/78/654735478.db2.gz WKVWDSUHVQHLCS-LBPRGKRZSA-N 1 1 377.242 2.196 20 0 GEADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000912092527 654742865 /nfs/dbraw/zinc/74/28/65/654742865.db2.gz PZZJTVZKRQMKSR-RTHLEPHNSA-N 1 1 385.287 2.294 20 0 GEADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000912092527 654742870 /nfs/dbraw/zinc/74/28/70/654742870.db2.gz PZZJTVZKRQMKSR-RTHLEPHNSA-N 1 1 385.287 2.294 20 0 GEADMO Nc1nc(Br)ccc1CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000931515777 654744957 /nfs/dbraw/zinc/74/49/57/654744957.db2.gz CKRPRPOTIVPQSH-UHFFFAOYSA-N 1 1 377.286 2.450 20 0 GEADMO Cc1cc(I)ccc1NC(=O)CN1CCn2cc[nH+]c21 ZINC000931523469 654745326 /nfs/dbraw/zinc/74/53/26/654745326.db2.gz CPQVBHKSKZQJJE-UHFFFAOYSA-N 1 1 382.205 2.255 20 0 GEADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000931556579 654746567 /nfs/dbraw/zinc/74/65/67/654746567.db2.gz ABGGTZAWJKEHEN-NEPJUHHUSA-N 1 1 378.420 2.299 20 0 GEADMO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931575218 654747314 /nfs/dbraw/zinc/74/73/14/654747314.db2.gz BAPZYLVIEWDFNI-RYUDHWBXSA-N 1 1 378.420 2.311 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1nscc1I ZINC000912283229 654748653 /nfs/dbraw/zinc/74/86/53/654748653.db2.gz IBHANTGHQPHGMV-QMMMGPOBSA-N 1 1 379.267 2.350 20 0 GEADMO COC1(OC)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931645418 654750832 /nfs/dbraw/zinc/75/08/32/654750832.db2.gz LKIKQSFZGAALSI-NHYWBVRUSA-N 1 1 391.295 2.226 20 0 GEADMO COC1(OC)CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931645418 654750833 /nfs/dbraw/zinc/75/08/33/654750833.db2.gz LKIKQSFZGAALSI-NHYWBVRUSA-N 1 1 391.295 2.226 20 0 GEADMO C[C@H]1[C@H](NC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@H+]1C ZINC000931662498 654751939 /nfs/dbraw/zinc/75/19/39/654751939.db2.gz ZHHRIWKKJAIKPR-SWLSCSKDSA-N 1 1 397.317 2.500 20 0 GEADMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000931666175 654751971 /nfs/dbraw/zinc/75/19/71/654751971.db2.gz DPKUQTPAWNLZTD-HNNXBMFYSA-N 1 1 391.295 2.319 20 0 GEADMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000931665726 654752003 /nfs/dbraw/zinc/75/20/03/654752003.db2.gz ARJMVPHIRBLESO-FZMZJTMJSA-N 1 1 387.274 2.144 20 0 GEADMO COC1(OC)CCOC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000931671699 654752516 /nfs/dbraw/zinc/75/25/16/654752516.db2.gz LMTXFQMIAYNOIU-SMDDNHRTSA-N 1 1 387.274 2.144 20 0 GEADMO CCOC(=O)c1csc(CC2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)n1 ZINC000931683436 654753274 /nfs/dbraw/zinc/75/32/74/654753274.db2.gz IIOXKSPMCUFZMD-AWEZNQCLSA-N 1 1 386.539 2.152 20 0 GEADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000931877490 654760327 /nfs/dbraw/zinc/76/03/27/654760327.db2.gz WKJAYVBHFSVMAU-BLLLJJGKSA-N 1 1 375.519 2.104 20 0 GEADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000931877490 654760328 /nfs/dbraw/zinc/76/03/28/654760328.db2.gz WKJAYVBHFSVMAU-BLLLJJGKSA-N 1 1 375.519 2.104 20 0 GEADMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000912604324 654760717 /nfs/dbraw/zinc/76/07/17/654760717.db2.gz ZGTSVDCZVOESNR-UHFFFAOYSA-N 1 1 399.207 2.344 20 0 GEADMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CCO)c2cc(Br)ccc2n1 ZINC000912607091 654760784 /nfs/dbraw/zinc/76/07/84/654760784.db2.gz QFPCAOLPZGBTSS-UHFFFAOYSA-N 1 1 380.286 2.302 20 0 GEADMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CCO)c2ccc(Br)cc2n1 ZINC000912608685 654761095 /nfs/dbraw/zinc/76/10/95/654761095.db2.gz KXTVAAOVWNGISL-UHFFFAOYSA-N 1 1 380.286 2.302 20 0 GEADMO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999794 654763590 /nfs/dbraw/zinc/76/35/90/654763590.db2.gz UQQKMZAIKDTWNY-DOMZBBRYSA-N 1 1 381.270 2.397 20 0 GEADMO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932001905 654763993 /nfs/dbraw/zinc/76/39/93/654763993.db2.gz RWNOEUMQIGHFCK-BXUZGUMPSA-N 1 1 390.249 2.023 20 0 GEADMO NC(=O)[C@](O)(C[N@@H+]1CCc2ccc(Br)c(F)c2C1)c1ccccc1 ZINC000932013954 654764195 /nfs/dbraw/zinc/76/41/95/654764195.db2.gz LMACBIWZLRXNID-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCc2ccc(Br)c(F)c2C1)c1ccccc1 ZINC000932013954 654764198 /nfs/dbraw/zinc/76/41/98/654764198.db2.gz LMACBIWZLRXNID-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO C[C@]1([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)COC(=O)N1 ZINC000932029956 654764473 /nfs/dbraw/zinc/76/44/73/654764473.db2.gz FHMAURKARZEZCW-CXAGYDPISA-N 1 1 386.901 2.324 20 0 GEADMO C[C@]1([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(Cl)cc3)C2)COC(=O)N1 ZINC000932029956 654764475 /nfs/dbraw/zinc/76/44/75/654764475.db2.gz FHMAURKARZEZCW-CXAGYDPISA-N 1 1 386.901 2.324 20 0 GEADMO COC(=O)c1cnc(Cl)c(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000932031453 654764528 /nfs/dbraw/zinc/76/45/28/654764528.db2.gz FDWUNLAOLUXNJR-DGCLKSJQSA-N 1 1 384.889 2.223 20 0 GEADMO COc1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000932164171 654768594 /nfs/dbraw/zinc/76/85/94/654768594.db2.gz YLHYFTNMXLNLSJ-JKSUJKDBSA-N 1 1 383.286 2.129 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2n[nH]cc2I)C1 ZINC000912886937 654772939 /nfs/dbraw/zinc/77/29/39/654772939.db2.gz NDMPLWMAXCVEMK-GFCCVEGCSA-N 1 1 380.205 2.165 20 0 GEADMO O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904950 654773723 /nfs/dbraw/zinc/77/37/23/654773723.db2.gz WCWVFIDMHISVBW-GFCCVEGCSA-N 1 1 377.238 2.476 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000932310759 654774810 /nfs/dbraw/zinc/77/48/10/654774810.db2.gz JSAXUMZCFLRLME-AAEUAGOBSA-N 1 1 380.286 2.333 20 0 GEADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cc(Br)cn2ccnc12 ZINC000912948193 654776263 /nfs/dbraw/zinc/77/62/63/654776263.db2.gz GQFIQSFWYCEERY-UHFFFAOYSA-N 1 1 395.301 2.328 20 0 GEADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cc(Br)c2nccn2c1 ZINC000912949175 654776567 /nfs/dbraw/zinc/77/65/67/654776567.db2.gz YKGROZUYDJYICV-UHFFFAOYSA-N 1 1 395.301 2.328 20 0 GEADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000912982797 654777419 /nfs/dbraw/zinc/77/74/19/654777419.db2.gz OQBDVLJBPYEKJM-QGZVFWFLSA-N 1 1 385.277 2.320 20 0 GEADMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000932573342 654782256 /nfs/dbraw/zinc/78/22/56/654782256.db2.gz YGDHUXAJLKVVTR-ATZCPNFKSA-N 1 1 397.299 2.475 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000932617765 654783484 /nfs/dbraw/zinc/78/34/84/654783484.db2.gz KVSZKWAXVJATBP-UHFFFAOYSA-N 1 1 397.294 2.334 20 0 GEADMO C[NH+](C)C[C@@H](NC(=O)CC1C(=O)N=CNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000913160146 654785862 /nfs/dbraw/zinc/78/58/62/654785862.db2.gz VACLMPLKLZDWMP-CYBMUJFWSA-N 1 1 385.251 2.156 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000932715470 654786234 /nfs/dbraw/zinc/78/62/34/654786234.db2.gz KUWWEHAFVCEORX-AWEZNQCLSA-N 1 1 398.345 2.461 20 0 GEADMO C[C@H](CNC(=O)c1cnc(CCC(F)(F)F)s1)CN1CC[NH+](C)CC1 ZINC000932714993 654786342 /nfs/dbraw/zinc/78/63/42/654786342.db2.gz YDDIOQSSXFGGIQ-GFCCVEGCSA-N 1 1 378.464 2.251 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)n1 ZINC000932727442 654787441 /nfs/dbraw/zinc/78/74/41/654787441.db2.gz OUJFDQLTRMQSBI-UHFFFAOYSA-N 1 1 398.349 2.120 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)n1 ZINC000932727442 654787445 /nfs/dbraw/zinc/78/74/45/654787445.db2.gz OUJFDQLTRMQSBI-UHFFFAOYSA-N 1 1 398.349 2.120 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)NCCC[N@H+]2CCCN(C)CC2)n1 ZINC000932727442 654787450 /nfs/dbraw/zinc/78/74/50/654787450.db2.gz OUJFDQLTRMQSBI-UHFFFAOYSA-N 1 1 398.349 2.120 20 0 GEADMO O=C1N[C@@H](C2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)CO1 ZINC000932768695 654789075 /nfs/dbraw/zinc/78/90/75/654789075.db2.gz AQJAACBIYQEDBD-CYBMUJFWSA-N 1 1 383.242 2.498 20 0 GEADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC(Cc3ccccc3Br)C2)C1 ZINC000913336340 654789160 /nfs/dbraw/zinc/78/91/60/654789160.db2.gz JBEPELLPDLUSAA-SFHVURJKSA-N 1 1 381.314 2.297 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cnc(C)c(Br)c2C)CC1 ZINC000932782632 654790244 /nfs/dbraw/zinc/79/02/44/654790244.db2.gz VRQXWRVKFBKGIG-CYBMUJFWSA-N 1 1 385.306 2.381 20 0 GEADMO C[N@@H+](C[C@@H](O)CN1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792065 /nfs/dbraw/zinc/79/20/65/654792065.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 1 1 383.330 2.188 20 0 GEADMO CN(C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792068 /nfs/dbraw/zinc/79/20/68/654792068.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 1 1 383.330 2.188 20 0 GEADMO CN(C[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792070 /nfs/dbraw/zinc/79/20/70/654792070.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 1 1 383.330 2.188 20 0 GEADMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000913538033 654797281 /nfs/dbraw/zinc/79/72/81/654797281.db2.gz WMKOKIREVZWFGD-BETUJISGSA-N 1 1 398.276 2.013 20 0 GEADMO NS(=O)(=O)C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000932959776 654798371 /nfs/dbraw/zinc/79/83/71/654798371.db2.gz HGVXXHXVLLMELA-ZDUSSCGKSA-N 1 1 380.432 2.475 20 0 GEADMO C[C@@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000933034751 654800568 /nfs/dbraw/zinc/80/05/68/654800568.db2.gz BZIXYZSTSYRSRN-QMTHXVAHSA-N 1 1 386.279 2.205 20 0 GEADMO O=S(=O)(C1CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1)N1CCCCC1 ZINC000933086573 654801624 /nfs/dbraw/zinc/80/16/24/654801624.db2.gz QSBQABLAGUJSKZ-ZFWWWQNUSA-N 1 1 384.464 2.376 20 0 GEADMO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](CCCCCO)CC1 ZINC000913694489 654804653 /nfs/dbraw/zinc/80/46/53/654804653.db2.gz ROUKRRYGGHNJQV-UHFFFAOYSA-N 1 1 390.709 2.418 20 0 GEADMO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+](CCCCCO)CC1 ZINC000913694468 654804671 /nfs/dbraw/zinc/80/46/71/654804671.db2.gz QSYKSZFGUZTIIV-UHFFFAOYSA-N 1 1 395.301 2.017 20 0 GEADMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3Br)C2)c1 ZINC000913709670 654805904 /nfs/dbraw/zinc/80/59/04/654805904.db2.gz UAWBWQYHCNQODY-CQSZACIVSA-N 1 1 377.286 2.495 20 0 GEADMO CC(C)N1CC[NH+](CCCC(=O)NCc2ncc(Br)s2)CC1 ZINC000913771516 654808662 /nfs/dbraw/zinc/80/86/62/654808662.db2.gz KQIQCBICPLBIGY-UHFFFAOYSA-N 1 1 389.363 2.328 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnnn1-c1ccccc1Br ZINC000913815987 654810780 /nfs/dbraw/zinc/81/07/80/654810780.db2.gz WZNIVDYPUIYCNJ-CABCVRRESA-N 1 1 390.285 2.339 20 0 GEADMO COCCc1noc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000933438445 654813456 /nfs/dbraw/zinc/81/34/56/654813456.db2.gz XDMBXLWKFBBULH-MRXNPFEDSA-N 1 1 384.274 2.104 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)c1cc2cc(Br)cnc2n1C ZINC000933492034 654814997 /nfs/dbraw/zinc/81/49/97/654814997.db2.gz VZHKDLXJXRIRQM-UHFFFAOYSA-N 1 1 383.290 2.034 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933635258 654818341 /nfs/dbraw/zinc/81/83/41/654818341.db2.gz WMMAADXYYLNWDF-RHSMWYFYSA-N 1 1 384.929 2.359 20 0 GEADMO O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933635258 654818343 /nfs/dbraw/zinc/81/83/43/654818343.db2.gz WMMAADXYYLNWDF-RHSMWYFYSA-N 1 1 384.929 2.359 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701310 654820852 /nfs/dbraw/zinc/82/08/52/654820852.db2.gz YLGXFDGNSVFOPN-MXWKQRLJSA-N 1 1 394.324 2.177 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701310 654820855 /nfs/dbraw/zinc/82/08/55/654820855.db2.gz YLGXFDGNSVFOPN-MXWKQRLJSA-N 1 1 394.324 2.177 20 0 GEADMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914080611 654825074 /nfs/dbraw/zinc/82/50/74/654825074.db2.gz GBKAWECNOGKIKZ-NSHDSACASA-N 1 1 379.295 2.349 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000933778785 654827444 /nfs/dbraw/zinc/82/74/44/654827444.db2.gz IQJPFMDLVHDXER-LBPRGKRZSA-N 1 1 380.290 2.296 20 0 GEADMO CC[N@@H+](CCC(=O)NC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000933866717 654828628 /nfs/dbraw/zinc/82/86/28/654828628.db2.gz SOVSAWLXEVHJIE-LBPRGKRZSA-N 1 1 393.709 2.300 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000914185637 654833430 /nfs/dbraw/zinc/83/34/30/654833430.db2.gz MXROOPNTPVHUPH-ZJUUUORDSA-N 1 1 395.294 2.358 20 0 GEADMO CN1CCN(Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+](C)CC1 ZINC000933997063 654833967 /nfs/dbraw/zinc/83/39/67/654833967.db2.gz HNDMPDCQLVMXRX-UHFFFAOYSA-N 1 1 394.317 2.178 20 0 GEADMO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000914219730 654836050 /nfs/dbraw/zinc/83/60/50/654836050.db2.gz AQTGQNXWCQQOCW-KBPBESRZSA-N 1 1 382.306 2.061 20 0 GEADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000934182895 654838059 /nfs/dbraw/zinc/83/80/59/654838059.db2.gz KKHVJYUUGXQGDB-LBPRGKRZSA-N 1 1 375.416 2.125 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1SC(F)(F)F ZINC000934182895 654838061 /nfs/dbraw/zinc/83/80/61/654838061.db2.gz KKHVJYUUGXQGDB-LBPRGKRZSA-N 1 1 375.416 2.125 20 0 GEADMO OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cc2c(cc1Br)OCCO2 ZINC000934251945 654840110 /nfs/dbraw/zinc/84/01/10/654840110.db2.gz HIJFQJAZBNLLNT-HOTGVXAUSA-N 1 1 397.313 2.251 20 0 GEADMO COc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1OC ZINC000934256615 654840286 /nfs/dbraw/zinc/84/02/86/654840286.db2.gz DHOBQWNGUUSYAE-CABCVRRESA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934257380 654840622 /nfs/dbraw/zinc/84/06/22/654840622.db2.gz IFDDEAIVHUTNTH-XOKHGSTOSA-N 1 1 396.329 2.307 20 0 GEADMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000914274659 654840979 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721176440 /nfs/dbraw/zinc/17/64/40/721176440.db2.gz XCWOCAMATXNPHH-PKOBYXMFSA-N 1 1 381.480 2.283 20 0 GEADMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)C[C@H]3C2)cn1 ZINC001164764076 721185606 /nfs/dbraw/zinc/18/56/06/721185606.db2.gz GEVHXGCEVBZYCI-CHWSQXEVSA-N 1 1 387.538 2.067 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)C[C@H]3C2)cn1 ZINC001164764076 721185607 /nfs/dbraw/zinc/18/56/07/721185607.db2.gz GEVHXGCEVBZYCI-CHWSQXEVSA-N 1 1 387.538 2.067 20 0 GEADMO c1csc(-c2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)n1 ZINC001164869269 721191605 /nfs/dbraw/zinc/19/16/05/721191605.db2.gz PVPZQXSZYQDWNM-IRXDYDNUSA-N 1 1 394.504 2.475 20 0 GEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccccc4n3)CC2)C1 ZINC001164872776 721260566 /nfs/dbraw/zinc/26/05/66/721260566.db2.gz FWISPILELNDWIP-UHFFFAOYSA-N 1 1 382.508 2.242 20 0 GEADMO Cc1nc2ccoc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891824 721380378 /nfs/dbraw/zinc/38/03/78/721380378.db2.gz 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C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc5c(n4)CCCC5)C3)O2)CC1 ZINC001164892392 721445086 /nfs/dbraw/zinc/44/50/86/721445086.db2.gz ILDAPNPHKYXFDA-XMSQKQJNSA-N 1 1 385.556 2.121 20 0 GEADMO CN(C)C(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908623 721527463 /nfs/dbraw/zinc/52/74/63/721527463.db2.gz PVUJIAAVOFNVNN-PKOBYXMFSA-N 1 1 384.455 2.264 20 0 GEADMO COc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164796176 721528078 /nfs/dbraw/zinc/52/80/78/721528078.db2.gz XIAOEMQTMNIYHA-RVKKMQEKSA-N 1 1 389.887 2.402 20 0 GEADMO COc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164796176 721528082 /nfs/dbraw/zinc/52/80/82/721528082.db2.gz XIAOEMQTMNIYHA-RVKKMQEKSA-N 1 1 389.887 2.402 20 0 GEADMO COC(=O)c1ccc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802981 721533344 /nfs/dbraw/zinc/53/33/44/721533344.db2.gz HBDMXHCBDZRIFH-HSALFYBXSA-N 1 1 396.491 2.440 20 0 GEADMO COC(=O)c1ccc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802981 721533348 /nfs/dbraw/zinc/53/33/48/721533348.db2.gz HBDMXHCBDZRIFH-HSALFYBXSA-N 1 1 396.491 2.440 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ncccc32)[C@H]2CCCO[C@@H]12 ZINC001164803119 721534735 /nfs/dbraw/zinc/53/47/35/721534735.db2.gz IDZCGPJJBQSESM-IPMKNSEASA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ncccc32)[C@H]2CCCO[C@@H]12 ZINC001164803119 721534739 /nfs/dbraw/zinc/53/47/39/721534739.db2.gz IDZCGPJJBQSESM-IPMKNSEASA-N 1 1 376.464 2.288 20 0 GEADMO Cn1ccc2c1ncnc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806558 721535546 /nfs/dbraw/zinc/53/55/46/721535546.db2.gz OHTDLJGBTMMUCW-IPMKNSEASA-N 1 1 378.480 2.232 20 0 GEADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-n5ccnc5)nn4)CC[N@H+]3C2)c1 ZINC001164911185 721542819 /nfs/dbraw/zinc/54/28/19/721542819.db2.gz VUDVQGZYJAVNEJ-SJLPKXTDSA-N 1 1 380.427 2.143 20 0 GEADMO 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ZINC001164930442 721850905 /nfs/dbraw/zinc/85/09/05/721850905.db2.gz RYRNEOSVSDLMFI-ROUUACIJSA-N 1 1 383.496 2.021 20 0 GEADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164930442 721850906 /nfs/dbraw/zinc/85/09/06/721850906.db2.gz RYRNEOSVSDLMFI-ROUUACIJSA-N 1 1 383.496 2.021 20 0 GEADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164927617 721857709 /nfs/dbraw/zinc/85/77/09/721857709.db2.gz LSUSYHSJQXSHML-HUUCEWRRSA-N 1 1 380.920 2.435 20 0 GEADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164927617 721857712 /nfs/dbraw/zinc/85/77/12/721857712.db2.gz LSUSYHSJQXSHML-HUUCEWRRSA-N 1 1 380.920 2.435 20 0 GEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164929861 721857843 /nfs/dbraw/zinc/85/78/43/721857843.db2.gz QKLPJTRHBAAGIC-HUUCEWRRSA-N 1 1 376.505 2.038 20 0 GEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(NC(=O)OC(C)(C)C)n1 ZINC001164929861 721857845 /nfs/dbraw/zinc/85/78/45/721857845.db2.gz 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GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677217560 532367326 /nfs/dbraw/zinc/36/73/26/532367326.db2.gz GEMBJCZPNABRJT-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000463181606 532368924 /nfs/dbraw/zinc/36/89/24/532368924.db2.gz CHOFSWSGDNXHSO-OAHLLOKOSA-N 1 1 382.302 2.321 20 0 GEADMO O=S(=O)(Cc1nc([C@H]2CCC[NH2+]2)no1)Cc1ccc(Br)cc1 ZINC000647152477 532369627 /nfs/dbraw/zinc/36/96/27/532369627.db2.gz GPPJVBHHALWXAF-GFCCVEGCSA-N 1 1 386.271 2.372 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000557743593 532371091 /nfs/dbraw/zinc/37/10/91/532371091.db2.gz VDHCIVQAIRDAFQ-UHFFFAOYSA-N 1 1 396.329 2.398 20 0 GEADMO CC[NH+](CC)CCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463252212 532371117 /nfs/dbraw/zinc/37/11/17/532371117.db2.gz IYZHXRRVLMCMSL-UHFFFAOYSA-N 1 1 386.237 2.239 20 0 GEADMO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000677688116 532380422 /nfs/dbraw/zinc/38/04/22/532380422.db2.gz SRXOBLJAOZSFRN-LLVKDONJSA-N 1 1 377.409 2.273 20 0 GEADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000677688116 532380433 /nfs/dbraw/zinc/38/04/33/532380433.db2.gz SRXOBLJAOZSFRN-LLVKDONJSA-N 1 1 377.409 2.273 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000516164065 532380870 /nfs/dbraw/zinc/38/08/70/532380870.db2.gz CEUHAGYFODCANU-UHFFFAOYSA-N 1 1 390.347 2.017 20 0 GEADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000294761717 532380975 /nfs/dbraw/zinc/38/09/75/532380975.db2.gz XDPTVKIXWGPHRV-BDJLRTHQSA-N 1 1 380.286 2.458 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000294761312 532381460 /nfs/dbraw/zinc/38/14/60/532381460.db2.gz ISXBVJDJFKJGEN-CHWSQXEVSA-N 1 1 385.302 2.431 20 0 GEADMO C[N@@H+](CC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCSC1 ZINC000558035893 532382219 /nfs/dbraw/zinc/38/22/19/532382219.db2.gz MWYNEMNSEMREEY-SMDDNHRTSA-N 1 1 391.306 2.175 20 0 GEADMO OC[C@H]1CCN(Cc2ccc(Br)cc2C[N@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383606 /nfs/dbraw/zinc/38/36/06/532383606.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 1 1 383.330 2.078 20 0 GEADMO Cc1ccc([C@H](CNS(=O)(=O)c2c[nH]nc2C(F)(F)F)[NH+](C)C)cc1 ZINC000647897335 532384433 /nfs/dbraw/zinc/38/44/33/532384433.db2.gz WOIABSNCZBORLS-LBPRGKRZSA-N 1 1 376.404 2.318 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294834846 532385961 /nfs/dbraw/zinc/38/59/61/532385961.db2.gz QJHSNIOGCFXSOQ-MRXNPFEDSA-N 1 1 380.286 2.445 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCOC[C@H](O)C1 ZINC000294834846 532385965 /nfs/dbraw/zinc/38/59/65/532385965.db2.gz QJHSNIOGCFXSOQ-MRXNPFEDSA-N 1 1 380.286 2.445 20 0 GEADMO CN(C)S(=O)(=O)N1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000590783671 532387602 /nfs/dbraw/zinc/38/76/02/532387602.db2.gz NVIAVBSJSQMNKQ-UHFFFAOYSA-N 1 1 377.963 2.246 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2cscc2Br)CC1 ZINC000294847782 532387714 /nfs/dbraw/zinc/38/77/14/532387714.db2.gz SGWKEPHGXNLOCG-ZDUSSCGKSA-N 1 1 388.375 2.443 20 0 GEADMO C[N@@H+](Cc1cccc(Br)c1F)C1CCN(S(C)(=O)=O)CC1 ZINC000294859132 532387819 /nfs/dbraw/zinc/38/78/19/532387819.db2.gz PMPOPQMVPRZTMJ-UHFFFAOYSA-N 1 1 379.295 2.444 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000372373788 532387832 /nfs/dbraw/zinc/38/78/32/532387832.db2.gz DNZVPKYVEXYIAR-DOMZBBRYSA-N 1 1 380.286 2.249 20 0 GEADMO C[C@@H](CN1CCN(C)CC1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000516645965 532389244 /nfs/dbraw/zinc/38/92/44/532389244.db2.gz YDJLYAJCECFSNP-AWEZNQCLSA-N 1 1 383.334 2.003 20 0 GEADMO Cc1cc(Cl)c(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000516810716 532390478 /nfs/dbraw/zinc/39/04/78/532390478.db2.gz NUPZLTPIWPPIBM-UHFFFAOYSA-N 1 1 389.327 2.240 20 0 GEADMO Cc1cc(Cl)c(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)cc1Cl ZINC000516810716 532390484 /nfs/dbraw/zinc/39/04/84/532390484.db2.gz NUPZLTPIWPPIBM-UHFFFAOYSA-N 1 1 389.327 2.240 20 0 GEADMO CCOc1ccc(Br)cc1CN(c1nc(N)nc(N)[nH+]1)C1CC1 ZINC000623938358 532390646 /nfs/dbraw/zinc/39/06/46/532390646.db2.gz NJHUGPLHDVVZPU-UHFFFAOYSA-N 1 1 379.262 2.027 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000516847789 532392469 /nfs/dbraw/zinc/39/24/69/532392469.db2.gz KWNZLWJFJBVMPW-KBPBESRZSA-N 1 1 398.345 2.394 20 0 GEADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC[N@H+]1C ZINC000425742973 532392951 /nfs/dbraw/zinc/39/29/51/532392951.db2.gz MPGVNWZKNIWMPP-GXSJLCMTSA-N 1 1 375.803 2.479 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000425782590 532394793 /nfs/dbraw/zinc/39/47/93/532394793.db2.gz HFTROEDHRSTZHD-SNVBAGLBSA-N 1 1 375.803 2.433 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000425782590 532394796 /nfs/dbraw/zinc/39/47/96/532394796.db2.gz HFTROEDHRSTZHD-SNVBAGLBSA-N 1 1 375.803 2.433 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000295051662 532399555 /nfs/dbraw/zinc/39/95/55/532399555.db2.gz NMCZFHDBOCDVQN-MRXNPFEDSA-N 1 1 382.258 2.108 20 0 GEADMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000295075960 532400258 /nfs/dbraw/zinc/40/02/58/532400258.db2.gz PSTPUTGLCKINDI-AWEZNQCLSA-N 1 1 383.539 2.448 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000295051659 532399282 /nfs/dbraw/zinc/39/92/82/532399282.db2.gz NMCZFHDBOCDVQN-INIZCTEOSA-N 1 1 382.258 2.108 20 0 GEADMO Cc1c(Cl)cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1Cl ZINC000372709387 532402523 /nfs/dbraw/zinc/40/25/23/532402523.db2.gz ANZPSZTTZJZNQK-NSHDSACASA-N 1 1 388.295 2.155 20 0 GEADMO COc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)sc1Br ZINC000372729830 532404234 /nfs/dbraw/zinc/40/42/34/532404234.db2.gz VNUJEGBFURUJCO-JTQLQIEISA-N 1 1 377.304 2.048 20 0 GEADMO COc1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)sc1Br ZINC000372729830 532404241 /nfs/dbraw/zinc/40/42/41/532404241.db2.gz VNUJEGBFURUJCO-JTQLQIEISA-N 1 1 377.304 2.048 20 0 GEADMO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+]([C@@H](C)CO)CC2)c(Br)c1 ZINC000372749721 532405985 /nfs/dbraw/zinc/40/59/85/532405985.db2.gz MNBCBBCXZUHODX-GJZGRUSLSA-N 1 1 398.345 2.473 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000517080881 532405082 /nfs/dbraw/zinc/40/50/82/532405082.db2.gz MOQWLCJJOALBEY-GFCCVEGCSA-N 1 1 387.311 2.380 20 0 GEADMO C[C@H](CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)n1cc(Br)cn1 ZINC000648884666 532406064 /nfs/dbraw/zinc/40/60/64/532406064.db2.gz SXKBEQHUZXXDCR-CYBMUJFWSA-N 1 1 387.322 2.166 20 0 GEADMO C[C@H](CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)n1cc(Br)cn1 ZINC000648884666 532406070 /nfs/dbraw/zinc/40/60/70/532406070.db2.gz SXKBEQHUZXXDCR-CYBMUJFWSA-N 1 1 387.322 2.166 20 0 GEADMO Cc1cc(S(=O)(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)sc1Cl ZINC000372761515 532406945 /nfs/dbraw/zinc/40/69/45/532406945.db2.gz ZMWJURWLATUDFU-KGLIPLIRSA-N 1 1 391.990 2.356 20 0 GEADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000648924526 532409153 /nfs/dbraw/zinc/40/91/53/532409153.db2.gz VBLUTONIMKPYPS-KWCYVHTRSA-N 1 1 387.293 2.196 20 0 GEADMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCn1cc(Br)ccc1=O ZINC000648917195 532409239 /nfs/dbraw/zinc/40/92/39/532409239.db2.gz JHKIPZJGRVSSLO-GFCCVEGCSA-N 1 1 381.274 2.137 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)C[C@H](C)[N@H+]1CCO ZINC000648921707 532409369 /nfs/dbraw/zinc/40/93/69/532409369.db2.gz HJYJWLQGURMSSZ-IIYDPXPESA-N 1 1 381.314 2.392 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)C[C@H](C)[N@@H+]1CCO ZINC000648921707 532409377 /nfs/dbraw/zinc/40/93/77/532409377.db2.gz HJYJWLQGURMSSZ-IIYDPXPESA-N 1 1 381.314 2.392 20 0 GEADMO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(Br)cn1 ZINC000280231386 532410134 /nfs/dbraw/zinc/41/01/34/532410134.db2.gz AMCLLOZIWHITFD-GFCCVEGCSA-N 1 1 398.301 2.297 20 0 GEADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)C1 ZINC000625124097 532411586 /nfs/dbraw/zinc/41/15/86/532411586.db2.gz YMBQXLWFBHNIAM-SFHVURJKSA-N 1 1 378.519 2.183 20 0 GEADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280252861 532411999 /nfs/dbraw/zinc/41/19/99/532411999.db2.gz BQSDNVQTGLJHIW-WFASDCNBSA-N 1 1 398.301 2.439 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)ncc1Br ZINC000192820236 532412976 /nfs/dbraw/zinc/41/29/76/532412976.db2.gz XHWCZDJSPIUCFF-GFCCVEGCSA-N 1 1 395.257 2.103 20 0 GEADMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@@H]2C1 ZINC000560061339 532411071 /nfs/dbraw/zinc/41/10/71/532411071.db2.gz ZZFZNSKLQMMJJH-AOOOYVTPSA-N 1 1 379.707 2.285 20 0 GEADMO O=C(C[NH+]1CCC(CF)CC1)NCC(=O)Nc1ccccc1Br ZINC000295178374 532414489 /nfs/dbraw/zinc/41/44/89/532414489.db2.gz RGJTVHUZVRIXCV-UHFFFAOYSA-N 1 1 386.265 2.185 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000465399389 532414665 /nfs/dbraw/zinc/41/46/65/532414665.db2.gz DJLFJGLGNHNQSQ-OCCSQVGLSA-N 1 1 397.317 2.478 20 0 GEADMO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccnc1OCC(F)F ZINC000625152971 532414788 /nfs/dbraw/zinc/41/47/88/532414788.db2.gz PSXXSLVUWFYKKZ-ZDUSSCGKSA-N 1 1 375.441 2.021 20 0 GEADMO O=S(=O)(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccnc1OCC(F)F ZINC000625152971 532414796 /nfs/dbraw/zinc/41/47/96/532414796.db2.gz PSXXSLVUWFYKKZ-ZDUSSCGKSA-N 1 1 375.441 2.021 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1Br ZINC000192820127 532413615 /nfs/dbraw/zinc/41/36/15/532413615.db2.gz XMEHKFVVOIUFPO-LBPRGKRZSA-N 1 1 395.257 2.103 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000517410816 532416801 /nfs/dbraw/zinc/41/68/01/532416801.db2.gz OBWAPJHEIYWGKK-KBRIMQKVSA-N 1 1 395.345 2.240 20 0 GEADMO Cn1ccc([C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2ccc(Cl)cc2)n1 ZINC000680463786 532415394 /nfs/dbraw/zinc/41/53/94/532415394.db2.gz GFCIMTRRHJRVBD-KRWDZBQOSA-N 1 1 382.917 2.178 20 0 GEADMO CC[N@@H+](CCNC(=O)Cn1cc(Br)ccc1=O)CCC(F)(F)F ZINC000427203289 532415700 /nfs/dbraw/zinc/41/57/00/532415700.db2.gz GLNGXCHHMUBNEF-UHFFFAOYSA-N 1 1 398.223 2.001 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cn(Cc2cccs2)nn1)CCC(F)(F)F ZINC000427207938 532415867 /nfs/dbraw/zinc/41/58/67/532415867.db2.gz ZEFXKQSJAMAXGZ-UHFFFAOYSA-N 1 1 375.420 2.392 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@H]1CSCN1C(=O)C1CCC1)CCC(F)(F)F ZINC000427215033 532416179 /nfs/dbraw/zinc/41/61/79/532416179.db2.gz HHJZNTHAEIURQH-CYBMUJFWSA-N 1 1 381.464 2.079 20 0 GEADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270433 532418420 /nfs/dbraw/zinc/41/84/20/532418420.db2.gz UMQVEBFWXSYYJS-RKDXNWHRSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270433 532418423 /nfs/dbraw/zinc/41/84/23/532418423.db2.gz UMQVEBFWXSYYJS-RKDXNWHRSA-N 1 1 390.228 2.217 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000465784602 532420264 /nfs/dbraw/zinc/42/02/64/532420264.db2.gz QGVRXXPXRHPIIU-GXTWGEPZSA-N 1 1 397.317 2.478 20 0 GEADMO COc1cc(Br)ccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372957068 532422350 /nfs/dbraw/zinc/42/23/50/532422350.db2.gz QGVVVCNJVRFIKG-GJZGRUSLSA-N 1 1 383.286 2.129 20 0 GEADMO CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000465923548 532421593 /nfs/dbraw/zinc/42/15/93/532421593.db2.gz MBHNQQLGBBVLIT-BLLLJJGKSA-N 1 1 375.922 2.235 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000466238725 532423876 /nfs/dbraw/zinc/42/38/76/532423876.db2.gz RQKPTWTZSRDRPT-UHFFFAOYSA-N 1 1 389.327 2.403 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193387284 532424668 /nfs/dbraw/zinc/42/46/68/532424668.db2.gz MZJLDHXWNAOGLE-CYBMUJFWSA-N 1 1 397.317 2.281 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1F ZINC000681252838 532424991 /nfs/dbraw/zinc/42/49/91/532424991.db2.gz UJTPQESRNPLNCW-LBPRGKRZSA-N 1 1 377.279 2.351 20 0 GEADMO O=S(=O)(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1F ZINC000681252836 532425540 /nfs/dbraw/zinc/42/55/40/532425540.db2.gz UJTPQESRNPLNCW-GFCCVEGCSA-N 1 1 377.279 2.351 20 0 GEADMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193630549 532427957 /nfs/dbraw/zinc/42/79/57/532427957.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 1 1 380.330 2.289 20 0 GEADMO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@H+](C)CCO1 ZINC000649851329 532428044 /nfs/dbraw/zinc/42/80/44/532428044.db2.gz UJGNCDWDBIBNJP-NORZTCDRSA-N 1 1 383.286 2.151 20 0 GEADMO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000649851329 532428048 /nfs/dbraw/zinc/42/80/48/532428048.db2.gz UJGNCDWDBIBNJP-NORZTCDRSA-N 1 1 383.286 2.151 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C[NH+]1CCOCC1 ZINC000281641148 532429008 /nfs/dbraw/zinc/42/90/08/532429008.db2.gz HFWJSPFIDIIOMJ-JTQLQIEISA-N 1 1 392.258 2.156 20 0 GEADMO C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696026 532429847 /nfs/dbraw/zinc/42/98/47/532429847.db2.gz OKFXMRMZGNQDBR-RYUDHWBXSA-N 1 1 387.297 2.221 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(Br)cnc1Cl ZINC000295297952 532431293 /nfs/dbraw/zinc/43/12/93/532431293.db2.gz AUUIIERNMALVEC-NSHDSACASA-N 1 1 376.682 2.074 20 0 GEADMO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000427807855 532431610 /nfs/dbraw/zinc/43/16/10/532431610.db2.gz VTTQPBSQORDQPF-OAHLLOKOSA-N 1 1 386.721 2.451 20 0 GEADMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccccc2Br)n1 ZINC000626145058 532435672 /nfs/dbraw/zinc/43/56/72/532435672.db2.gz BCXNVMVMUFAQAK-GXTWGEPZSA-N 1 1 381.230 2.199 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000518088040 532435886 /nfs/dbraw/zinc/43/58/86/532435886.db2.gz DEAGETVTOOPWQG-ZDUSSCGKSA-N 1 1 379.306 2.339 20 0 GEADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ncc1Br ZINC000373162867 532436582 /nfs/dbraw/zinc/43/65/82/532436582.db2.gz IIQGCVBUFGVVFP-LBPRGKRZSA-N 1 1 395.301 2.224 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000281785492 532432998 /nfs/dbraw/zinc/43/29/98/532432998.db2.gz ZQHDXPOMVKOVKY-MRVPVSSYSA-N 1 1 392.656 2.248 20 0 GEADMO C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)c1ccccc1Br ZINC000295320231 532433407 /nfs/dbraw/zinc/43/34/07/532433407.db2.gz LZURAPUVMRUWHI-CQSZACIVSA-N 1 1 398.301 2.135 20 0 GEADMO CN(C)c1[nH+]cc(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1C ZINC000427820818 532433795 /nfs/dbraw/zinc/43/37/95/532433795.db2.gz WMAHZGGKZSBUDD-UHFFFAOYSA-N 1 1 377.297 2.413 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c(F)cc(Br)cc1F ZINC000295328050 532433886 /nfs/dbraw/zinc/43/38/86/532433886.db2.gz CXDXJHPHWHKPSE-NSHDSACASA-N 1 1 377.229 2.304 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000681621342 532434135 /nfs/dbraw/zinc/43/41/35/532434135.db2.gz CBYHPIVNSLEILW-AWEZNQCLSA-N 1 1 380.286 2.297 20 0 GEADMO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000626117884 532434531 /nfs/dbraw/zinc/43/45/31/532434531.db2.gz SNBIWYPWYBINMB-HUUCEWRRSA-N 1 1 399.329 2.379 20 0 GEADMO C[NH+](C)Cc1cc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)ccc1Cl ZINC000281802219 532434687 /nfs/dbraw/zinc/43/46/87/532434687.db2.gz WHPOGWBLVOJQQI-UHFFFAOYSA-N 1 1 385.873 2.296 20 0 GEADMO COc1cc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1Br ZINC000626495043 532437362 /nfs/dbraw/zinc/43/73/62/532437362.db2.gz HOLKKWULSXQTIN-CYBMUJFWSA-N 1 1 384.318 2.214 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000561427615 532437624 /nfs/dbraw/zinc/43/76/24/532437624.db2.gz YPKPCIUDTCLLQX-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO O=C(c1c(F)ccc(Br)c1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373262065 532437827 /nfs/dbraw/zinc/43/78/27/532437827.db2.gz SMECLKWWJJDQFK-STQMWFEESA-N 1 1 389.240 2.399 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000467080322 532437856 /nfs/dbraw/zinc/43/78/56/532437856.db2.gz FGLAGRGXYAUQFV-OTYXRUKQSA-N 1 1 384.249 2.126 20 0 GEADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467180028 532440276 /nfs/dbraw/zinc/44/02/76/532440276.db2.gz IOQMTPRUKDYDTQ-IUCAKERBSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467180028 532440283 /nfs/dbraw/zinc/44/02/83/532440283.db2.gz IOQMTPRUKDYDTQ-IUCAKERBSA-N 1 1 390.228 2.217 20 0 GEADMO O=C(NCCCc1cccc(Br)c1)NCC[N@H+]1CCCOCC1 ZINC000682118581 532440508 /nfs/dbraw/zinc/44/05/08/532440508.db2.gz XZYVPYCVVRKWAF-UHFFFAOYSA-N 1 1 384.318 2.403 20 0 GEADMO C[N@@H+](CCNC(=O)N1CCC(Cn2cc(Br)cn2)CC1)C1CC1 ZINC000373288491 532440454 /nfs/dbraw/zinc/44/04/54/532440454.db2.gz YWSXYRDWJFIINE-UHFFFAOYSA-N 1 1 384.322 2.161 20 0 GEADMO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000467232743 532442382 /nfs/dbraw/zinc/44/23/82/532442382.db2.gz YNNUFZWPJUJMHN-QMMMGPOBSA-N 1 1 388.212 2.019 20 0 GEADMO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COCC(F)(F)F ZINC000295387721 532442879 /nfs/dbraw/zinc/44/28/79/532442879.db2.gz RFJNSQHDEYDBNE-GWCFXTLKSA-N 1 1 386.208 2.354 20 0 GEADMO C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cn1 ZINC000373387677 532445100 /nfs/dbraw/zinc/44/51/00/532445100.db2.gz WNLYQXIRRZYNCP-YUTCNCBUSA-N 1 1 383.290 2.068 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000518471198 532441728 /nfs/dbraw/zinc/44/17/28/532441728.db2.gz VIUWVPSUZYFPSK-AWEZNQCLSA-N 1 1 382.302 2.137 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000282218689 532447818 /nfs/dbraw/zinc/44/78/18/532447818.db2.gz ORIILMCMTMWNKE-HNNXBMFYSA-N 1 1 398.301 2.294 20 0 GEADMO CCc1nc(C)c(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)o1 ZINC000428252076 532447945 /nfs/dbraw/zinc/44/79/45/532447945.db2.gz DSXIJLHEDUTXCS-UHFFFAOYSA-N 1 1 383.436 2.334 20 0 GEADMO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)sc1Br ZINC000650615881 532449259 /nfs/dbraw/zinc/44/92/59/532449259.db2.gz JPDZWYVKVZCCSB-LBPRGKRZSA-N 1 1 388.331 2.474 20 0 GEADMO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627272749 532448716 /nfs/dbraw/zinc/44/87/16/532448716.db2.gz UAYYSYOYQDKGMJ-FGYYNUPOSA-N 1 1 391.309 2.002 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Br ZINC000467503786 532448875 /nfs/dbraw/zinc/44/88/75/532448875.db2.gz IUQLGEFSZNPKMF-RNCFNFMXSA-N 1 1 377.279 2.349 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627271013 532448929 /nfs/dbraw/zinc/44/89/29/532448929.db2.gz PPQLFMNMWXODMC-STQMWFEESA-N 1 1 383.286 2.047 20 0 GEADMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cnc(Br)s2)CC(=O)N1C1CC1 ZINC000295430668 532446016 /nfs/dbraw/zinc/44/60/16/532446016.db2.gz UWARBNVNSOHISC-BXUZGUMPSA-N 1 1 396.314 2.233 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1Br ZINC000467503785 532449513 /nfs/dbraw/zinc/44/95/13/532449513.db2.gz IUQLGEFSZNPKMF-NOZJJQNGSA-N 1 1 377.279 2.349 20 0 GEADMO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000518963466 532450191 /nfs/dbraw/zinc/45/01/91/532450191.db2.gz YSLKVPHFGWKPJP-WMLDXEAASA-N 1 1 398.345 2.215 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c(F)cc1Br ZINC000518978236 532452718 /nfs/dbraw/zinc/45/27/18/532452718.db2.gz IMDNWPWVKJZHQW-NSHDSACASA-N 1 1 387.221 2.172 20 0 GEADMO CC[N@@H+](CCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1)C1CC1 ZINC000428641609 532456981 /nfs/dbraw/zinc/45/69/81/532456981.db2.gz MOOZHJMTLUMZMX-OAHLLOKOSA-N 1 1 398.345 2.384 20 0 GEADMO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Br)cn3)C2=O)n(C)n1 ZINC000373565070 532457418 /nfs/dbraw/zinc/45/74/18/532457418.db2.gz XVUPHIDHPXBDFF-BXUZGUMPSA-N 1 1 378.274 2.342 20 0 GEADMO C[C@H](NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000373540531 532455718 /nfs/dbraw/zinc/45/57/18/532455718.db2.gz YMXXLWJTESOPLZ-ZDUSSCGKSA-N 1 1 399.333 2.393 20 0 GEADMO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000562040793 532456050 /nfs/dbraw/zinc/45/60/50/532456050.db2.gz SRJXOUBWPCIMSX-AAEUAGOBSA-N 1 1 385.302 2.326 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000562011178 532456240 /nfs/dbraw/zinc/45/62/40/532456240.db2.gz SXCWPTOOMPWFAG-SWLSCSKDSA-N 1 1 382.302 2.006 20 0 GEADMO C[N@H+]1CCN(CCNS(=O)(=O)c2cc(Cl)sc2Cl)CC1(C)C ZINC000282387642 532462276 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CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000374309328 532497877 /nfs/dbraw/zinc/49/78/77/532497877.db2.gz HODZTSOGEYSDIL-HNNXBMFYSA-N 1 1 382.917 2.280 20 0 GEADMO CN1CCN(C[C@H](O)C[NH2+]CC/C=C/c2ccc(Br)cc2)CC1 ZINC000629605453 532497891 /nfs/dbraw/zinc/49/78/91/532497891.db2.gz ZEEUCHRDHIGSBN-ROVVAWJSSA-N 1 1 382.346 2.050 20 0 GEADMO CC(C)[NH+]1CC(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000430422934 532498420 /nfs/dbraw/zinc/49/84/20/532498420.db2.gz FZOJEYUYOQATQR-ZDUSSCGKSA-N 1 1 380.286 2.011 20 0 GEADMO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469289393 532499556 /nfs/dbraw/zinc/49/95/56/532499556.db2.gz LZHBTHSKQGQYNE-GFCCVEGCSA-N 1 1 386.901 2.472 20 0 GEADMO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000469289393 532499559 /nfs/dbraw/zinc/49/95/59/532499559.db2.gz LZHBTHSKQGQYNE-GFCCVEGCSA-N 1 1 386.901 2.472 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)N1CCC(C[NH3+])CC1 ZINC000430636372 532501205 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COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000245199312 532520555 /nfs/dbraw/zinc/52/05/55/532520555.db2.gz HQNPVVNZLFOYDE-DOTOQJQBSA-N 1 1 399.329 2.288 20 0 GEADMO CN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522040614 532521580 /nfs/dbraw/zinc/52/15/80/532521580.db2.gz DELQTMYJBOMTFQ-ZDUSSCGKSA-N 1 1 377.539 2.331 20 0 GEADMO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000522044759 532522228 /nfs/dbraw/zinc/52/22/28/532522228.db2.gz KUOMIUBWLABDAE-MRXNPFEDSA-N 1 1 379.258 2.415 20 0 GEADMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000522044759 532522233 /nfs/dbraw/zinc/52/22/33/532522233.db2.gz KUOMIUBWLABDAE-MRXNPFEDSA-N 1 1 379.258 2.415 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470199087 532523087 /nfs/dbraw/zinc/52/30/87/532523087.db2.gz WTUCWTLYAAEEIZ-AWEZNQCLSA-N 1 1 387.343 2.207 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470199087 532523089 /nfs/dbraw/zinc/52/30/89/532523089.db2.gz WTUCWTLYAAEEIZ-AWEZNQCLSA-N 1 1 387.343 2.207 20 0 GEADMO C[N@@H+](CCO)C1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000283186279 532524298 /nfs/dbraw/zinc/52/42/98/532524298.db2.gz KFQJNSVHTJDHPP-UHFFFAOYSA-N 1 1 376.320 2.109 20 0 GEADMO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888698 532525053 /nfs/dbraw/zinc/52/50/53/532525053.db2.gz ROPIIDOWUHPZCJ-CQSZACIVSA-N 1 1 381.263 2.070 20 0 GEADMO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888698 532525059 /nfs/dbraw/zinc/52/50/59/532525059.db2.gz ROPIIDOWUHPZCJ-CQSZACIVSA-N 1 1 381.263 2.070 20 0 GEADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000296514651 532525599 /nfs/dbraw/zinc/52/55/99/532525599.db2.gz CPICKZFEXWOJBK-CWDCEQMOSA-N 1 1 381.318 2.007 20 0 GEADMO O=C(Cc1sccc1Br)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000296534896 532526422 /nfs/dbraw/zinc/52/64/22/532526422.db2.gz NLJPYUUJHWTRMM-LBPRGKRZSA-N 1 1 375.332 2.406 20 0 GEADMO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1CCO)c1ccc(Br)cc1 ZINC000470365083 532526575 /nfs/dbraw/zinc/52/65/75/532526575.db2.gz XPADVLKAVWIABK-IUODEOHRSA-N 1 1 387.343 2.426 20 0 GEADMO C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1CCO)c1ccc(Br)cc1 ZINC000470365083 532526580 /nfs/dbraw/zinc/52/65/80/532526580.db2.gz XPADVLKAVWIABK-IUODEOHRSA-N 1 1 387.343 2.426 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn2ccc(Br)cc2n1 ZINC000564537008 532526898 /nfs/dbraw/zinc/52/68/98/532526898.db2.gz MHCUDHNAZLOHQG-ZDUSSCGKSA-N 1 1 381.318 2.374 20 0 GEADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cc(Br)c[nH]1 ZINC000245925250 532528048 /nfs/dbraw/zinc/52/80/48/532528048.db2.gz HOZSASXGHBLWRR-YOEHRIQHSA-N 1 1 392.297 2.390 20 0 GEADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cc(Br)c[nH]1 ZINC000245925245 532528204 /nfs/dbraw/zinc/52/82/04/532528204.db2.gz HOZSASXGHBLWRR-PBHICJAKSA-N 1 1 392.297 2.390 20 0 GEADMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245973931 532529290 /nfs/dbraw/zinc/52/92/90/532529290.db2.gz BDMGLDOFOHLBFI-SWLSCSKDSA-N 1 1 390.347 2.405 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245967577 532529517 /nfs/dbraw/zinc/52/95/17/532529517.db2.gz VVQJXGGAEJDWCO-NHYWBVRUSA-N 1 1 388.249 2.465 20 0 GEADMO CC[N@@H+]1CCc2nc(NC(=O)Cc3ccccc3S(C)(=O)=O)sc2C1 ZINC000375032204 532529508 /nfs/dbraw/zinc/52/95/08/532529508.db2.gz UCHPEMQPZOMVEM-UHFFFAOYSA-N 1 1 379.507 2.106 20 0 GEADMO CC[N@H+]1CCc2nc(NC(=O)Cc3ccccc3S(C)(=O)=O)sc2C1 ZINC000375032204 532529512 /nfs/dbraw/zinc/52/95/12/532529512.db2.gz UCHPEMQPZOMVEM-UHFFFAOYSA-N 1 1 379.507 2.106 20 0 GEADMO O=C(c1c(F)cncc1Br)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000630848574 532530093 /nfs/dbraw/zinc/53/00/93/532530093.db2.gz ZRAQNKFUSIZWRE-GFCCVEGCSA-N 1 1 386.265 2.310 20 0 GEADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000653084408 532530143 /nfs/dbraw/zinc/53/01/43/532530143.db2.gz DZWIGEYGMYCZLX-LBPRGKRZSA-N 1 1 378.274 2.240 20 0 GEADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000653084408 532530148 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COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432993994 532551805 /nfs/dbraw/zinc/55/18/05/532551805.db2.gz MZEXMSVJDMUJBD-IUODEOHRSA-N 1 1 396.285 2.476 20 0 GEADMO NC(=O)C[N@@H+]1CCc2ccc(NCc3ncc(Br)cc3F)cc2C1 ZINC000527702981 532552494 /nfs/dbraw/zinc/55/24/94/532552494.db2.gz ZSFYVHMVPVIOFJ-UHFFFAOYSA-N 1 1 393.260 2.439 20 0 GEADMO NC(=O)C[N@H+]1CCc2ccc(NCc3ncc(Br)cc3F)cc2C1 ZINC000527702981 532552502 /nfs/dbraw/zinc/55/25/02/532552502.db2.gz ZSFYVHMVPVIOFJ-UHFFFAOYSA-N 1 1 393.260 2.439 20 0 GEADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000565208875 532552621 /nfs/dbraw/zinc/55/26/21/532552621.db2.gz PUWLPIVVVSWPSA-OCCSQVGLSA-N 1 1 387.293 2.197 20 0 GEADMO Cc1nnsc1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000654156936 532552769 /nfs/dbraw/zinc/55/27/69/532552769.db2.gz PFPUKZZNWGYQSK-UHFFFAOYSA-N 1 1 397.302 2.008 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2nccs2)CC1 ZINC000654156957 532552803 /nfs/dbraw/zinc/55/28/03/532552803.db2.gz 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CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288829928 532839590 /nfs/dbraw/zinc/83/95/90/532839590.db2.gz NVUDLNOZJSGRGP-UHFFFAOYSA-N 1 1 394.273 2.175 20 0 GEADMO COc1ccc(NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1Br ZINC000274029486 532839927 /nfs/dbraw/zinc/83/99/27/532839927.db2.gz QHHAGMKPNJYXAR-UHFFFAOYSA-N 1 1 386.290 2.378 20 0 GEADMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288874139 532840911 /nfs/dbraw/zinc/84/09/11/532840911.db2.gz QQACSMMCIHIMEL-ZDUSSCGKSA-N 1 1 395.301 2.463 20 0 GEADMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288874139 532840914 /nfs/dbraw/zinc/84/09/14/532840914.db2.gz QQACSMMCIHIMEL-ZDUSSCGKSA-N 1 1 395.301 2.463 20 0 GEADMO CSc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)cc1Cl ZINC000288903937 532841727 /nfs/dbraw/zinc/84/17/27/532841727.db2.gz WLDRMDYOTBXYNR-UHFFFAOYSA-N 1 1 386.949 2.000 20 0 GEADMO CSc1ccc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)cc1Cl ZINC000288903937 532841729 /nfs/dbraw/zinc/84/17/29/532841729.db2.gz 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C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC000359905193 206269723 /nfs/dbraw/zinc/26/97/23/206269723.db2.gz VEDWQBBIAIBWKB-YLJYHZDGSA-N 1 1 381.476 2.373 20 0 GEADMO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC000359905193 206269729 /nfs/dbraw/zinc/26/97/29/206269729.db2.gz VEDWQBBIAIBWKB-YLJYHZDGSA-N 1 1 381.476 2.373 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)nn1 ZINC000359973187 206275973 /nfs/dbraw/zinc/27/59/73/206275973.db2.gz JNFQZGDLSZFKAR-LBPRGKRZSA-N 1 1 382.367 2.122 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000274261309 532846275 /nfs/dbraw/zinc/84/62/75/532846275.db2.gz WWZOLHJIZLWFAE-GFCCVEGCSA-N 1 1 385.306 2.133 20 0 GEADMO CCC(CC)[C@@H](CNC(=O)c1cnn(C)c1Br)[NH+]1CCOCC1 ZINC000274256986 532846588 /nfs/dbraw/zinc/84/65/88/532846588.db2.gz UNPULNHJSAVTQJ-CQSZACIVSA-N 1 1 387.322 2.049 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415522729 532848713 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CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000274845067 532857897 /nfs/dbraw/zinc/85/78/97/532857897.db2.gz WVSSCAAGPSYDCH-CQSZACIVSA-N 1 1 389.901 2.145 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc(F)c1Br ZINC000332585030 532857587 /nfs/dbraw/zinc/85/75/87/532857587.db2.gz JHNRNHIEVHMDEZ-GFCCVEGCSA-N 1 1 384.249 2.142 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(=O)n1C ZINC000289634607 532860830 /nfs/dbraw/zinc/86/08/30/532860830.db2.gz JDHNOGMFELKULO-GXFFZTMASA-N 1 1 395.257 2.042 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)c(=O)n1C ZINC000289634607 532860833 /nfs/dbraw/zinc/86/08/33/532860833.db2.gz JDHNOGMFELKULO-GXFFZTMASA-N 1 1 395.257 2.042 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000275043657 532862462 /nfs/dbraw/zinc/86/24/62/532862462.db2.gz SAYWQABURKPMKW-ABAIWWIYSA-N 1 1 380.286 2.295 20 0 GEADMO CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275078805 532863736 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CS(=O)(=O)c1ccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)s1 ZINC000416211574 532867184 /nfs/dbraw/zinc/86/71/84/532867184.db2.gz BDNHKXFYHUODRD-UHFFFAOYSA-N 1 1 378.519 2.216 20 0 GEADMO CN1C(=O)NCC12CC[NH+](Cc1cn3ccc(Br)cc3n1)CC2 ZINC000333459137 532868611 /nfs/dbraw/zinc/86/86/11/532868611.db2.gz LFKASXJXUJFBPA-UHFFFAOYSA-N 1 1 378.274 2.086 20 0 GEADMO CN1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)s3)CC2)CC1 ZINC000289968856 532869209 /nfs/dbraw/zinc/86/92/09/532869209.db2.gz ZAFWTVAKSDVCPD-UHFFFAOYSA-N 1 1 386.359 2.497 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000416296634 532869430 /nfs/dbraw/zinc/86/94/30/532869430.db2.gz OHRWLMPIYGVLPJ-STQMWFEESA-N 1 1 395.297 2.138 20 0 GEADMO Cc1cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)ncc1Br ZINC000333539345 532870660 /nfs/dbraw/zinc/87/06/60/532870660.db2.gz NQMOAWCVZSSVNQ-UHFFFAOYSA-N 1 1 377.290 2.231 20 0 GEADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1c(F)cc(Br)cc1F ZINC000290067711 532871557 /nfs/dbraw/zinc/87/15/57/532871557.db2.gz 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C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000736224826 599555023 /nfs/dbraw/zinc/55/50/23/599555023.db2.gz BDYHUOLLCRBYQW-MAUKXSAKSA-N 1 1 391.479 2.387 20 0 GEADMO CSc1ccc(OCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821983380 599568370 /nfs/dbraw/zinc/56/83/70/599568370.db2.gz HJAJORVJOYKAKX-UHFFFAOYSA-N 1 1 397.508 2.185 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736857565 599569911 /nfs/dbraw/zinc/56/99/11/599569911.db2.gz ORLRKUAQVPDWDW-GOSISDBHSA-N 1 1 377.452 2.434 20 0 GEADMO C[C@@H](O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473565 599578528 /nfs/dbraw/zinc/57/85/28/599578528.db2.gz GSOMEUZMOICCSR-GFCCVEGCSA-N 1 1 392.529 2.228 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939753 599589177 /nfs/dbraw/zinc/58/91/77/599589177.db2.gz IVGLAYVZZZATFX-CQSZACIVSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939753 599589180 /nfs/dbraw/zinc/58/91/80/599589180.db2.gz IVGLAYVZZZATFX-CQSZACIVSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939752 599589520 /nfs/dbraw/zinc/58/95/20/599589520.db2.gz IVGLAYVZZZATFX-AWEZNQCLSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939752 599589522 /nfs/dbraw/zinc/58/95/22/599589522.db2.gz IVGLAYVZZZATFX-AWEZNQCLSA-N 1 1 376.436 2.495 20 0 GEADMO C[C@@H]1C[C@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666267 599590053 /nfs/dbraw/zinc/59/00/53/599590053.db2.gz HLTFPNSVJUMTSU-GHMZBOCLSA-N 1 1 389.410 2.333 20 0 GEADMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821450014 599592842 /nfs/dbraw/zinc/59/28/42/599592842.db2.gz ZRMAGZLKDRVHMF-BFYDXBDKSA-N 1 1 377.514 2.212 20 0 GEADMO COc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737148243 599592864 /nfs/dbraw/zinc/59/28/64/599592864.db2.gz PNOZYQTYJYNZTL-SJORKVTESA-N 1 1 395.463 2.105 20 0 GEADMO Cc1oc(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c1C ZINC000822542212 599641572 /nfs/dbraw/zinc/64/15/72/599641572.db2.gz VKZHRIOLOPDDCM-UKRRQHHQSA-N 1 1 389.504 2.210 20 0 GEADMO Cc1oc(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c1C ZINC000822542211 599641651 /nfs/dbraw/zinc/64/16/51/599641651.db2.gz VKZHRIOLOPDDCM-HIFRSBDPSA-N 1 1 389.504 2.210 20 0 GEADMO C[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[NH+]1[C@H](C)CC[C@H]1C ZINC000820684395 599663051 /nfs/dbraw/zinc/66/30/51/599663051.db2.gz PBJZRYTXNDLVNV-UPJWGTAASA-N 1 1 397.439 2.221 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](c2ccccc2)C1 ZINC000821627306 599678727 /nfs/dbraw/zinc/67/87/27/599678727.db2.gz WOQJZQKVDMLHCE-GOSISDBHSA-N 1 1 395.442 2.204 20 0 GEADMO C[N@H+]1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](c2ccccc2)C1 ZINC000821627306 599678728 /nfs/dbraw/zinc/67/87/28/599678728.db2.gz WOQJZQKVDMLHCE-GOSISDBHSA-N 1 1 395.442 2.204 20 0 GEADMO C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821611147 599683990 /nfs/dbraw/zinc/68/39/90/599683990.db2.gz SGCCYEBLLNYRLT-CQSZACIVSA-N 1 1 376.436 2.447 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771158 599948288 /nfs/dbraw/zinc/94/82/88/599948288.db2.gz OBUREJXFWVMMKI-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771158 599948290 /nfs/dbraw/zinc/94/82/90/599948290.db2.gz OBUREJXFWVMMKI-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C[C@@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771158 599948292 /nfs/dbraw/zinc/94/82/92/599948292.db2.gz OBUREJXFWVMMKI-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771160 599948348 /nfs/dbraw/zinc/94/83/48/599948348.db2.gz OBUREJXFWVMMKI-SFHVURJKSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771160 599948349 /nfs/dbraw/zinc/94/83/49/599948349.db2.gz OBUREJXFWVMMKI-SFHVURJKSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C[C@H](C)C(=O)[O-])C2CC2)CC1 ZINC000738771160 599948350 /nfs/dbraw/zinc/94/83/50/599948350.db2.gz OBUREJXFWVMMKI-SFHVURJKSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CCC(=O)[O-])C(C)C)CC2)cc1 ZINC000738597537 600219402 /nfs/dbraw/zinc/21/94/02/600219402.db2.gz LGFWEGGGGQCBJU-UHFFFAOYSA-N 1 1 375.513 2.214 20 0 GEADMO Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCC(=O)[O-])C(C)C)CC2)cc1 ZINC000738597537 600219404 /nfs/dbraw/zinc/21/94/04/600219404.db2.gz LGFWEGGGGQCBJU-UHFFFAOYSA-N 1 1 375.513 2.214 20 0 GEADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCC(=O)[O-])C(C)C)CC2)cc1 ZINC000738597537 600219407 /nfs/dbraw/zinc/21/94/07/600219407.db2.gz LGFWEGGGGQCBJU-UHFFFAOYSA-N 1 1 375.513 2.214 20 0 GEADMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000820165197 607432864 /nfs/dbraw/zinc/43/28/64/607432864.db2.gz OEHWZGZXSAJRHY-OAHLLOKOSA-N 1 1 385.472 2.356 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3)c2)C1 ZINC000738436175 600435726 /nfs/dbraw/zinc/43/57/26/600435726.db2.gz FXCTWBUYNYTQQH-VQTJNVASSA-N 1 1 381.476 2.299 20 0 GEADMO COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737865142 600471384 /nfs/dbraw/zinc/47/13/84/600471384.db2.gz IWRANOXMNPYYPW-ZWKOTPCHSA-N 1 1 392.496 2.083 20 0 GEADMO COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737865142 600471386 /nfs/dbraw/zinc/47/13/86/600471386.db2.gz IWRANOXMNPYYPW-ZWKOTPCHSA-N 1 1 392.496 2.083 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccco1 ZINC000825850163 607447023 /nfs/dbraw/zinc/44/70/23/607447023.db2.gz OEOXYXGYCPIBSJ-HNNXBMFYSA-N 1 1 381.440 2.051 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825193519 607456859 /nfs/dbraw/zinc/45/68/59/607456859.db2.gz MFFAYZVZNCYMIY-QGZVFWFLSA-N 1 1 383.500 2.420 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3F)c2)C1 ZINC000833078893 600748051 /nfs/dbraw/zinc/74/80/51/600748051.db2.gz BNMHTSRBBIVYFI-PXNSSMCTSA-N 1 1 399.466 2.439 20 0 GEADMO CC(=O)CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823967118 607470288 /nfs/dbraw/zinc/47/02/88/607470288.db2.gz IQVSFXALQASMNV-UHFFFAOYSA-N 1 1 398.511 2.296 20 0 GEADMO CC(=O)CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823967118 607470290 /nfs/dbraw/zinc/47/02/90/607470290.db2.gz IQVSFXALQASMNV-UHFFFAOYSA-N 1 1 398.511 2.296 20 0 GEADMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825991889 607471210 /nfs/dbraw/zinc/47/12/10/607471210.db2.gz KXIHWAFXXANLEK-GOSISDBHSA-N 1 1 375.436 2.422 20 0 GEADMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825991889 607471211 /nfs/dbraw/zinc/47/12/11/607471211.db2.gz KXIHWAFXXANLEK-GOSISDBHSA-N 1 1 375.436 2.422 20 0 GEADMO Fc1cc(-c2nn[nH]n2)ccc1CNCC1([NH+]2CCSCC2)CCCC1 ZINC000822740257 607474534 /nfs/dbraw/zinc/47/45/34/607474534.db2.gz HXWWOGLWMHMZIO-UHFFFAOYSA-N 1 1 376.505 2.457 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826176035 607477423 /nfs/dbraw/zinc/47/74/23/607477423.db2.gz YIIJNSJTYUVCAS-FUHWJXTLSA-N 1 1 398.511 2.203 20 0 GEADMO O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407291 607478012 /nfs/dbraw/zinc/47/80/12/607478012.db2.gz HUBHYVSALVJKJY-APWZRJJASA-N 1 1 395.511 2.144 20 0 GEADMO O=C(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407292 607478087 /nfs/dbraw/zinc/47/80/87/607478087.db2.gz HUBHYVSALVJKJY-LPHOPBHVSA-N 1 1 395.511 2.144 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000829764900 601011810 /nfs/dbraw/zinc/01/18/10/601011810.db2.gz BDPARDSIVCMUEN-OAHLLOKOSA-N 1 1 380.464 2.404 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825395704 607484172 /nfs/dbraw/zinc/48/41/72/607484172.db2.gz UUHLEXSDQAVUKZ-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825395704 607484173 /nfs/dbraw/zinc/48/41/73/607484173.db2.gz UUHLEXSDQAVUKZ-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194295 607488830 /nfs/dbraw/zinc/48/88/30/607488830.db2.gz IBWGABZNIOJFCE-AWEZNQCLSA-N 1 1 388.472 2.364 20 0 GEADMO COCC[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157568 607491447 /nfs/dbraw/zinc/49/14/47/607491447.db2.gz AXQNUJDCABQENX-UHFFFAOYSA-N 1 1 394.479 2.368 20 0 GEADMO COc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1-c1nn[nH]n1 ZINC000826194197 607494911 /nfs/dbraw/zinc/49/49/11/607494911.db2.gz FDGINKKGXAYYDR-UHFFFAOYSA-N 1 1 385.497 2.040 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826194902 607509013 /nfs/dbraw/zinc/50/90/13/607509013.db2.gz ZLQYCDKJWIYLSD-CQSZACIVSA-N 1 1 388.472 2.364 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826441650 607514247 /nfs/dbraw/zinc/51/42/47/607514247.db2.gz OAOADRSZNDMZMZ-CRAIPNDOSA-N 1 1 399.474 2.164 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(=O)[O-])c(F)c3)CC2)CC1 ZINC000829770234 601633716 /nfs/dbraw/zinc/63/37/16/601633716.db2.gz GJMYIMZDYAHJME-UHFFFAOYSA-N 1 1 391.487 2.290 20 0 GEADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825284919 607518696 /nfs/dbraw/zinc/51/86/96/607518696.db2.gz CNNQQSHGGFSHHR-ZBFHGGJFSA-N 1 1 386.500 2.392 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410392 607527729 /nfs/dbraw/zinc/52/77/29/607527729.db2.gz LQNKFEBABXXZDC-CHWSQXEVSA-N 1 1 390.875 2.207 20 0 GEADMO c1cc(-c2nnc(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512528 607527807 /nfs/dbraw/zinc/52/78/07/607527807.db2.gz DQSFSRUYHHCAGV-HOTGVXAUSA-N 1 1 381.440 2.165 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000827951102 601842157 /nfs/dbraw/zinc/84/21/57/601842157.db2.gz VATJPOGTTOHUAI-GOSISDBHSA-N 1 1 387.524 2.469 20 0 GEADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000826000717 601844226 /nfs/dbraw/zinc/84/42/26/601844226.db2.gz QIQFBYHQMBOJHA-PXNSSMCTSA-N 1 1 387.524 2.342 20 0 GEADMO CCOC[C@H](O)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000825581890 607642459 /nfs/dbraw/zinc/64/24/59/607642459.db2.gz FRBMSLQMSIUHAJ-LJQANCHMSA-N 1 1 385.443 2.405 20 0 GEADMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(-c2nn[nH]n2)c1C ZINC000826341707 607643002 /nfs/dbraw/zinc/64/30/02/607643002.db2.gz OEABJVSENOPWFU-NSHDSACASA-N 1 1 384.440 2.284 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000444179237 649939383 /nfs/dbraw/zinc/93/93/83/649939383.db2.gz YZVVKPDIZCTLMM-UHFFFAOYSA-N 1 1 378.922 2.374 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000832757730 604057503 /nfs/dbraw/zinc/05/75/03/604057503.db2.gz LUXIWWBAJJSALW-UFYCRDLUSA-N 1 1 375.513 2.177 20 0 GEADMO O=C(NCC(F)F)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000444369015 649947826 /nfs/dbraw/zinc/94/78/26/649947826.db2.gz ZMLJONQEHOMZIM-UHFFFAOYSA-N 1 1 394.249 2.455 20 0 GEADMO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444385584 649948144 /nfs/dbraw/zinc/94/81/44/649948144.db2.gz ZDRRVFBJVDFDEH-GFCCVEGCSA-N 1 1 394.313 2.306 20 0 GEADMO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCC(=O)[O-] ZINC000833745641 604771700 /nfs/dbraw/zinc/77/17/00/604771700.db2.gz QTNHOHGWZVCKTI-CEXWTWQISA-N 1 1 376.497 2.450 20 0 GEADMO CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)CC1 ZINC000833500629 605217600 /nfs/dbraw/zinc/21/76/00/605217600.db2.gz NIBYJNOWOXOJKY-UHFFFAOYSA-N 1 1 375.513 2.254 20 0 GEADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)C[C@H](C)O1 ZINC000824983963 607741334 /nfs/dbraw/zinc/74/13/34/607741334.db2.gz DXCFHVVMGWHPAC-STQMWFEESA-N 1 1 381.440 2.056 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000824698958 607755814 /nfs/dbraw/zinc/75/58/14/607755814.db2.gz OUAZIRGDUNLDTH-LOWVWBTDSA-N 1 1 378.864 2.082 20 0 GEADMO Cc1c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccc(Cl)cc1 ZINC000445549653 649962182 /nfs/dbraw/zinc/96/21/82/649962182.db2.gz MTVVKEPVDIRWLX-GASCZTMLSA-N 1 1 380.901 2.349 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000821609759 606076183 /nfs/dbraw/zinc/07/61/83/606076183.db2.gz KUXRJINMNAFLAB-UHFFFAOYSA-N 1 1 377.496 2.401 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614688 606089253 /nfs/dbraw/zinc/08/92/53/606089253.db2.gz QTOOZWNQEJRJHP-IBGZPJMESA-N 1 1 378.480 2.452 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614688 606089257 /nfs/dbraw/zinc/08/92/57/606089257.db2.gz QTOOZWNQEJRJHP-IBGZPJMESA-N 1 1 378.480 2.452 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614688 606089263 /nfs/dbraw/zinc/08/92/63/606089263.db2.gz QTOOZWNQEJRJHP-IBGZPJMESA-N 1 1 378.480 2.452 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000820995451 606096045 /nfs/dbraw/zinc/09/60/45/606096045.db2.gz RNMXVSJYRSFFLQ-UONOGXRCSA-N 1 1 389.891 2.017 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[N@@H+](C)CC12CCCCC2 ZINC000821702494 606097244 /nfs/dbraw/zinc/09/72/44/606097244.db2.gz VTLHLSOQUSSKLY-UHFFFAOYSA-N 1 1 386.500 2.204 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821596800 606097752 /nfs/dbraw/zinc/09/77/52/606097752.db2.gz VOAYXDVMIZWOHL-OAHLLOKOSA-N 1 1 394.483 2.080 20 0 GEADMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822689895 606113015 /nfs/dbraw/zinc/11/30/15/606113015.db2.gz QXLAHWNSKBMFAY-GOSISDBHSA-N 1 1 379.468 2.049 20 0 GEADMO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822689895 606113016 /nfs/dbraw/zinc/11/30/16/606113016.db2.gz QXLAHWNSKBMFAY-GOSISDBHSA-N 1 1 379.468 2.049 20 0 GEADMO C[C@]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000820432046 606115120 /nfs/dbraw/zinc/11/51/20/606115120.db2.gz LBIJRWKHSDWEGW-QGZVFWFLSA-N 1 1 390.369 2.376 20 0 GEADMO C[C@@]([NH2+]Cc1ccccc1-c1nn[nH]n1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000820438440 606115151 /nfs/dbraw/zinc/11/51/51/606115151.db2.gz PKDCIYMOMIYRBY-KRWDZBQOSA-N 1 1 390.369 2.376 20 0 GEADMO Fc1ccc(F)c(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822775674 606117540 /nfs/dbraw/zinc/11/75/40/606117540.db2.gz ZKRXWQMHHZUFMF-UHFFFAOYSA-N 1 1 386.406 2.346 20 0 GEADMO c1ccc(C[N@H+]2CCC[C@]3(CCN(c4nccnc4-c4nn[nH]n4)C3)C2)cc1 ZINC000823780098 606141986 /nfs/dbraw/zinc/14/19/86/606141986.db2.gz OAFNBRDPYWBZDR-FQEVSTJZSA-N 1 1 376.468 2.149 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000823235778 606152750 /nfs/dbraw/zinc/15/27/50/606152750.db2.gz XWSGMRXPKDCVIN-GOSISDBHSA-N 1 1 398.417 2.426 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000823235778 606152751 /nfs/dbraw/zinc/15/27/51/606152751.db2.gz XWSGMRXPKDCVIN-GOSISDBHSA-N 1 1 398.417 2.426 20 0 GEADMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822996841 606179181 /nfs/dbraw/zinc/17/91/81/606179181.db2.gz KCZGMZSAOZDEEZ-GOSISDBHSA-N 1 1 390.875 2.351 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[C@H](C)C1 ZINC000821254986 606184587 /nfs/dbraw/zinc/18/45/87/606184587.db2.gz RCGYQUSOLGREPR-CZUORRHYSA-N 1 1 382.472 2.079 20 0 GEADMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678782 606189327 /nfs/dbraw/zinc/18/93/27/606189327.db2.gz YJMOIHIIHKGLMU-UKPHBRMFSA-N 1 1 375.498 2.293 20 0 GEADMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000821368173 606190751 /nfs/dbraw/zinc/19/07/51/606190751.db2.gz RMWSMJUZPDBGPN-VXGBXAGGSA-N 1 1 390.513 2.102 20 0 GEADMO c1sc(C[NH2+]CCCN2CCN(Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000823779867 606211126 /nfs/dbraw/zinc/21/11/26/606211126.db2.gz JYXTXTNYBJYZSR-UHFFFAOYSA-N 1 1 397.552 2.226 20 0 GEADMO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000820769026 606225508 /nfs/dbraw/zinc/22/55/08/606225508.db2.gz QMMNEPJGMAQRAO-XHDPSFHLSA-N 1 1 382.390 2.042 20 0 GEADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000820703455 606256350 /nfs/dbraw/zinc/25/63/50/606256350.db2.gz FQSXZMXMTLGNMX-CQSZACIVSA-N 1 1 379.468 2.499 20 0 GEADMO Cc1cccc(OCC[N@@H+](C)[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000822326846 606315054 /nfs/dbraw/zinc/31/50/54/606315054.db2.gz BJQQISSURDNYCK-INIZCTEOSA-N 1 1 398.492 2.353 20 0 GEADMO Cc1cccc(OCC[N@H+](C)[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000822326846 606315055 /nfs/dbraw/zinc/31/50/55/606315055.db2.gz BJQQISSURDNYCK-INIZCTEOSA-N 1 1 398.492 2.353 20 0 GEADMO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1C ZINC000821794733 606319722 /nfs/dbraw/zinc/31/97/22/606319722.db2.gz LIQADKAFPZMEHR-OAHLLOKOSA-N 1 1 398.492 2.483 20 0 GEADMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1C ZINC000821794733 606319724 /nfs/dbraw/zinc/31/97/24/606319724.db2.gz LIQADKAFPZMEHR-OAHLLOKOSA-N 1 1 398.492 2.483 20 0 GEADMO C[N@H+](CCc1ccccc1F)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604802 606322408 /nfs/dbraw/zinc/32/24/08/606322408.db2.gz HOIYXRJDIVVCLD-HNNXBMFYSA-N 1 1 386.456 2.347 20 0 GEADMO C[N@@H+](CCc1ccccc1F)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604802 606322410 /nfs/dbraw/zinc/32/24/10/606322410.db2.gz HOIYXRJDIVVCLD-HNNXBMFYSA-N 1 1 386.456 2.347 20 0 GEADMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)sn1 ZINC000822208339 606437931 /nfs/dbraw/zinc/43/79/31/606437931.db2.gz NOCXSFXIZBVRBH-UHFFFAOYSA-N 1 1 398.496 2.371 20 0 GEADMO CCOC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821325666 606480219 /nfs/dbraw/zinc/48/02/19/606480219.db2.gz JCCSVMYNIDKXTM-UHFFFAOYSA-N 1 1 381.383 2.243 20 0 GEADMO CC(C)(CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@H+]1CCc2ccccc2C1 ZINC000819981051 606505811 /nfs/dbraw/zinc/50/58/11/606505811.db2.gz LMLTXKBWQWQXBW-UHFFFAOYSA-N 1 1 390.491 2.362 20 0 GEADMO CC(C)COc1cncc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000820103277 606655616 /nfs/dbraw/zinc/65/56/16/606655616.db2.gz SIRURTBPERWWLY-UHFFFAOYSA-N 1 1 394.483 2.014 20 0 GEADMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000820563897 606707548 /nfs/dbraw/zinc/70/75/48/606707548.db2.gz WNQUGSUAEXSGLV-AWEZNQCLSA-N 1 1 396.499 2.426 20 0 GEADMO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1c1c(F)cccc1F ZINC000823510805 606713227 /nfs/dbraw/zinc/71/32/27/606713227.db2.gz AGFGBOSVAWAHRV-HNNXBMFYSA-N 1 1 388.353 2.179 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000823690993 606715260 /nfs/dbraw/zinc/71/52/60/606715260.db2.gz ZNZLDKXGXDPDIE-FUHWJXTLSA-N 1 1 383.427 2.235 20 0 GEADMO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000820820707 606724318 /nfs/dbraw/zinc/72/43/18/606724318.db2.gz PLRQARUWZAFGBJ-WCQYABFASA-N 1 1 392.460 2.310 20 0 GEADMO CC[C@@H](Nc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820926614 606725858 /nfs/dbraw/zinc/72/58/58/606725858.db2.gz UAWSVRVVBXARNZ-MSOLQXFVSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@@H](Nc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820926614 606725860 /nfs/dbraw/zinc/72/58/60/606725860.db2.gz UAWSVRVVBXARNZ-MSOLQXFVSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926644 606742415 /nfs/dbraw/zinc/74/24/15/606742415.db2.gz UREZXKFFIOXIEW-PKOBYXMFSA-N 1 1 382.468 2.229 20 0 GEADMO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1F ZINC000821668773 606768220 /nfs/dbraw/zinc/76/82/20/606768220.db2.gz IPRCKSORBWKHHA-UHFFFAOYSA-N 1 1 396.426 2.115 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)CCOCc1ccccc1 ZINC000821701956 606774197 /nfs/dbraw/zinc/77/41/97/606774197.db2.gz BPFACCMKYBMUOM-UHFFFAOYSA-N 1 1 383.452 2.403 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000821407040 606834614 /nfs/dbraw/zinc/83/46/14/606834614.db2.gz NUXNIHCMODTANJ-BBRMVZONSA-N 1 1 387.488 2.459 20 0 GEADMO C[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000820721697 606862003 /nfs/dbraw/zinc/86/20/03/606862003.db2.gz AACSYTUTAATFLY-UTKZUKDTSA-N 1 1 392.507 2.497 20 0 GEADMO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000820721697 606862005 /nfs/dbraw/zinc/86/20/05/606862005.db2.gz AACSYTUTAATFLY-UTKZUKDTSA-N 1 1 392.507 2.497 20 0 GEADMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000820721697 606862007 /nfs/dbraw/zinc/86/20/07/606862007.db2.gz AACSYTUTAATFLY-UTKZUKDTSA-N 1 1 392.507 2.497 20 0 GEADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821617080 606883364 /nfs/dbraw/zinc/88/33/64/606883364.db2.gz VTKOUHLMZBAMDM-IBGZPJMESA-N 1 1 375.436 2.218 20 0 GEADMO C[C@H](c1ccccc1)[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(N)=O ZINC000822004628 606883683 /nfs/dbraw/zinc/88/36/83/606883683.db2.gz JWEGHOCBRGTELX-OAHLLOKOSA-N 1 1 380.452 2.184 20 0 GEADMO O=C(C1CCCCC1)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822918060 606888466 /nfs/dbraw/zinc/88/84/66/606888466.db2.gz YUMBDWRMBRODHB-UHFFFAOYSA-N 1 1 398.511 2.360 20 0 GEADMO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821221654 606889839 /nfs/dbraw/zinc/88/98/39/606889839.db2.gz LJNJCPOFYHZGDO-GOSISDBHSA-N 1 1 383.452 2.439 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)OCC[NH+]1CCSCC1 ZINC000822954766 606895974 /nfs/dbraw/zinc/89/59/74/606895974.db2.gz CEBQMRCLIQHXKG-UHFFFAOYSA-N 1 1 391.497 2.008 20 0 GEADMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819939794 606913746 /nfs/dbraw/zinc/91/37/46/606913746.db2.gz JSRDGSWXIVRFFH-OAHLLOKOSA-N 1 1 388.472 2.235 20 0 GEADMO O[C@@H](C[C@H]1COCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823675545 606916269 /nfs/dbraw/zinc/91/62/69/606916269.db2.gz XGZVQTYMIIOOHN-ICSRJNTNSA-N 1 1 395.463 2.070 20 0 GEADMO O[C@@H](C[C@H]1COCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823675545 606916271 /nfs/dbraw/zinc/91/62/71/606916271.db2.gz XGZVQTYMIIOOHN-ICSRJNTNSA-N 1 1 395.463 2.070 20 0 GEADMO C[C@@H]1[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCOC1(C)C ZINC000820820653 606931493 /nfs/dbraw/zinc/93/14/93/606931493.db2.gz PDUDVNIKSJDGST-NSHDSACASA-N 1 1 378.864 2.348 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)C1 ZINC000821624053 606936080 /nfs/dbraw/zinc/93/60/80/606936080.db2.gz YJTBYPBPDGTTTK-AWEZNQCLSA-N 1 1 395.433 2.102 20 0 GEADMO CCc1nsc(N2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)n1 ZINC000821558685 606978605 /nfs/dbraw/zinc/97/86/05/606978605.db2.gz DQKJKGALKSUDDL-UHFFFAOYSA-N 1 1 388.476 2.132 20 0 GEADMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)n1 ZINC000821558685 606978607 /nfs/dbraw/zinc/97/86/07/606978607.db2.gz DQKJKGALKSUDDL-UHFFFAOYSA-N 1 1 388.476 2.132 20 0 GEADMO Cc1cc[nH+]c(N2CCN(C(=S)Nc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822374389 606979345 /nfs/dbraw/zinc/97/93/45/606979345.db2.gz UJCGZIUKKGYCFI-UHFFFAOYSA-N 1 1 380.481 2.089 20 0 GEADMO C[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000820709367 606995365 /nfs/dbraw/zinc/99/53/65/606995365.db2.gz IAXWXXBXFVRPFY-LSDHHAIUSA-N 1 1 386.500 2.261 20 0 GEADMO C[C@H](CC[S@@](C)=O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820249305 607025859 /nfs/dbraw/zinc/02/58/59/607025859.db2.gz UKAUVMPTYBSNJE-IQSLBTHBSA-N 1 1 396.423 2.007 20 0 GEADMO c1ccc(C[N@H+]2CCC[C@H]3CN(c4nccnc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000823779328 607031831 /nfs/dbraw/zinc/03/18/31/607031831.db2.gz ANKBJYNUUFCXSZ-IRXDYDNUSA-N 1 1 376.468 2.148 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596451 607053456 /nfs/dbraw/zinc/05/34/56/607053456.db2.gz KNMGGBQMTOSICB-INIZCTEOSA-N 1 1 398.511 2.214 20 0 GEADMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CC2)c1 ZINC000822373714 607067784 /nfs/dbraw/zinc/06/77/84/607067784.db2.gz AKBYDIYQHJWULC-UHFFFAOYSA-N 1 1 378.440 2.233 20 0 GEADMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822496719 607092004 /nfs/dbraw/zinc/09/20/04/607092004.db2.gz UADZWORTFKTELR-QGZVFWFLSA-N 1 1 380.456 2.074 20 0 GEADMO CCC1(CC)[C@H]([N@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1OC ZINC000820955445 607106260 /nfs/dbraw/zinc/10/62/60/607106260.db2.gz BXOPMGLZSZUWJR-OLZOCXBDSA-N 1 1 378.502 2.392 20 0 GEADMO CCC1(CC)[C@H]([N@@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1OC ZINC000820955445 607106262 /nfs/dbraw/zinc/10/62/62/607106262.db2.gz BXOPMGLZSZUWJR-OLZOCXBDSA-N 1 1 378.502 2.392 20 0 GEADMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822996512 607107604 /nfs/dbraw/zinc/10/76/04/607107604.db2.gz GAPKRFSYNMDICC-SGTLLEGYSA-N 1 1 390.875 2.086 20 0 GEADMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822996512 607107606 /nfs/dbraw/zinc/10/76/06/607107606.db2.gz GAPKRFSYNMDICC-SGTLLEGYSA-N 1 1 390.875 2.086 20 0 GEADMO OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000823713050 607175220 /nfs/dbraw/zinc/17/52/20/607175220.db2.gz CMDZAUCTXZVWIB-YOEHRIQHSA-N 1 1 399.886 2.210 20 0 GEADMO OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823715901 607175223 /nfs/dbraw/zinc/17/52/23/607175223.db2.gz YSCGLGHGNOEVKZ-ZBFHGGJFSA-N 1 1 399.886 2.210 20 0 GEADMO Cn1c2ccccc2nc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822600340 607227116 /nfs/dbraw/zinc/22/71/16/607227116.db2.gz LRGYBNLRVYEAPJ-UHFFFAOYSA-N 1 1 388.479 2.466 20 0 GEADMO OC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707248 607230058 /nfs/dbraw/zinc/23/00/58/607230058.db2.gz XRZMUXQCWDLUFE-GFCCVEGCSA-N 1 1 381.358 2.419 20 0 GEADMO Fc1cc(-c2nn[nH]n2)ccc1CNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000826371954 607780908 /nfs/dbraw/zinc/78/09/08/607780908.db2.gz AJGISHCQFOSBAZ-UHFFFAOYSA-N 1 1 388.370 2.142 20 0 GEADMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000824874445 607795152 /nfs/dbraw/zinc/79/51/52/607795152.db2.gz CXACIIKGBBQOQR-GDBMZVCRSA-N 1 1 379.468 2.225 20 0 GEADMO c1ccc2c(c1)CC[C@@]21C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CCO1 ZINC000826523730 607803652 /nfs/dbraw/zinc/80/36/52/607803652.db2.gz WETRMYSPHBHUCK-OAQYLSRUSA-N 1 1 377.448 2.419 20 0 GEADMO CC[N@@H+](CCc1nccs1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000825428945 607817686 /nfs/dbraw/zinc/81/76/86/607817686.db2.gz WEIVYXNPRQZJHE-UHFFFAOYSA-N 1 1 395.496 2.412 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](C2CCOCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407379 607859275 /nfs/dbraw/zinc/85/92/75/607859275.db2.gz LCNUXZPDHULXOI-CYBMUJFWSA-N 1 1 376.486 2.005 20 0 GEADMO O[C@@H](COc1cc(Cl)ccc1-c1nn[nH]n1)C[N@H+]1CCc2ccccc2C1 ZINC000826503843 607878542 /nfs/dbraw/zinc/87/85/42/607878542.db2.gz HPMNPYBMPNBKII-MRXNPFEDSA-N 1 1 385.855 2.318 20 0 GEADMO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826406906 607943020 /nfs/dbraw/zinc/94/30/20/607943020.db2.gz SDHYGAPLCBBXFZ-ZWKOTPCHSA-N 1 1 396.426 2.142 20 0 GEADMO O=C(CC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826406643 607943249 /nfs/dbraw/zinc/94/32/49/607943249.db2.gz GRCHOKXLWJIMNU-ROUUACIJSA-N 1 1 396.426 2.142 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826044211 607956812 /nfs/dbraw/zinc/95/68/12/607956812.db2.gz CKHQVVMRTMIPHL-GOSISDBHSA-N 1 1 394.504 2.403 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826044211 607956813 /nfs/dbraw/zinc/95/68/13/607956813.db2.gz CKHQVVMRTMIPHL-GOSISDBHSA-N 1 1 394.504 2.403 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000825000023 607964000 /nfs/dbraw/zinc/96/40/00/607964000.db2.gz MTPWVLZIFQYAEZ-GXSJLCMTSA-N 1 1 381.267 2.482 20 0 GEADMO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000825958401 607980923 /nfs/dbraw/zinc/98/09/23/607980923.db2.gz VETJCFSXZFBKAO-RTBURBONSA-N 1 1 391.479 2.454 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccccc1 ZINC000826029139 607981257 /nfs/dbraw/zinc/98/12/57/607981257.db2.gz PFABRIUFNRTCFA-MSOLQXFVSA-N 1 1 395.442 2.250 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029109 608006962 /nfs/dbraw/zinc/00/69/62/608006962.db2.gz OIUXQMXFMKXIRH-UYAOXDASSA-N 1 1 376.464 2.361 20 0 GEADMO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000824754570 608011944 /nfs/dbraw/zinc/01/19/44/608011944.db2.gz IOVWNALPZZRLDT-CABCVRRESA-N 1 1 397.435 2.435 20 0 GEADMO COc1c(C)c[nH+]c(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1C ZINC000826166861 608071978 /nfs/dbraw/zinc/07/19/78/608071978.db2.gz FIQJQKIGVBVXKW-GOSISDBHSA-N 1 1 380.452 2.461 20 0 GEADMO C[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000824911070 608082326 /nfs/dbraw/zinc/08/23/26/608082326.db2.gz ZZYKPOWZXRKTTJ-JTOWHCCKSA-N 1 1 384.484 2.028 20 0 GEADMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286003 608127802 /nfs/dbraw/zinc/12/78/02/608127802.db2.gz PRRNQPMKEPPEAP-IBGZPJMESA-N 1 1 376.464 2.281 20 0 GEADMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826286004 608127817 /nfs/dbraw/zinc/12/78/17/608127817.db2.gz PRRNQPMKEPPEAP-LJQANCHMSA-N 1 1 376.464 2.281 20 0 GEADMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000824045615 608127941 /nfs/dbraw/zinc/12/79/41/608127941.db2.gz NGVWECUOJQLCPF-FZKQIMNGSA-N 1 1 396.426 2.486 20 0 GEADMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000824045615 608127942 /nfs/dbraw/zinc/12/79/42/608127942.db2.gz NGVWECUOJQLCPF-FZKQIMNGSA-N 1 1 396.426 2.486 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCN4C(=O)OCC[C@H]4C3)c2c1 ZINC000826263792 608148882 /nfs/dbraw/zinc/14/88/82/608148882.db2.gz QRJLHCFJJMOYBJ-ZDUSSCGKSA-N 1 1 379.424 2.063 20 0 GEADMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825418153 608154340 /nfs/dbraw/zinc/15/43/40/608154340.db2.gz XSCZFIIMFDSEMG-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825418153 608154341 /nfs/dbraw/zinc/15/43/41/608154341.db2.gz XSCZFIIMFDSEMG-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000826033566 608226512 /nfs/dbraw/zinc/22/65/12/608226512.db2.gz HDSAWADZRUVDDL-GOSISDBHSA-N 1 1 392.511 2.021 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000824739145 608247736 /nfs/dbraw/zinc/24/77/36/608247736.db2.gz VSCBNFWPXVXIFV-GDBMZVCRSA-N 1 1 397.435 2.435 20 0 GEADMO O=C(CC[N@H+]1CCOC2(CCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407507 608259195 /nfs/dbraw/zinc/25/91/95/608259195.db2.gz PFFNTHJFFGECQV-UHFFFAOYSA-N 1 1 376.848 2.104 20 0 GEADMO C[C@H](CCO)[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000824407090 608267402 /nfs/dbraw/zinc/26/74/02/608267402.db2.gz VFFLPTNXHPUSSQ-CYBMUJFWSA-N 1 1 386.481 2.140 20 0 GEADMO C[C@H](CCO)[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000824407090 608267404 /nfs/dbraw/zinc/26/74/04/608267404.db2.gz VFFLPTNXHPUSSQ-CYBMUJFWSA-N 1 1 386.481 2.140 20 0 GEADMO CCOCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825595240 608268767 /nfs/dbraw/zinc/26/87/67/608268767.db2.gz WEMWNDZJOPJKQI-UHFFFAOYSA-N 1 1 392.529 2.494 20 0 GEADMO CCC[C@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC[N@H+]1CCOC ZINC000825259633 608303797 /nfs/dbraw/zinc/30/37/97/608303797.db2.gz KBINPJBFOBPBGN-INIZCTEOSA-N 1 1 385.516 2.078 20 0 GEADMO CCc1cccnc1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825728081 608328163 /nfs/dbraw/zinc/32/81/63/608328163.db2.gz HVGZHLWFLCTQAT-UHFFFAOYSA-N 1 1 391.479 2.172 20 0 GEADMO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000824319361 608334356 /nfs/dbraw/zinc/33/43/56/608334356.db2.gz NITIOPSSBNIKGP-ZDUSSCGKSA-N 1 1 376.486 2.030 20 0 GEADMO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000824319361 608334358 /nfs/dbraw/zinc/33/43/58/608334358.db2.gz NITIOPSSBNIKGP-ZDUSSCGKSA-N 1 1 376.486 2.030 20 0 GEADMO CC[N@H+]1CCCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000825459833 608337198 /nfs/dbraw/zinc/33/71/98/608337198.db2.gz OPZCKUUEXNFYPR-UHFFFAOYSA-N 1 1 381.387 2.028 20 0 GEADMO CC[NH+]1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000825459164 608356652 /nfs/dbraw/zinc/35/66/52/608356652.db2.gz JDGFPVKDOAFPGQ-UHFFFAOYSA-N 1 1 391.479 2.381 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000826169340 608358521 /nfs/dbraw/zinc/35/85/21/608358521.db2.gz PSIRZVBNJIOWAL-UHFFFAOYSA-N 1 1 397.483 2.188 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826168951 608375913 /nfs/dbraw/zinc/37/59/13/608375913.db2.gz DGRQALKMPPVMKO-HNNXBMFYSA-N 1 1 380.456 2.250 20 0 GEADMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824109029 608385628 /nfs/dbraw/zinc/38/56/28/608385628.db2.gz MIANWSVXHURZLI-CYBMUJFWSA-N 1 1 376.436 2.495 20 0 GEADMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824109029 608385630 /nfs/dbraw/zinc/38/56/30/608385630.db2.gz MIANWSVXHURZLI-CYBMUJFWSA-N 1 1 376.436 2.495 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824946145 608396677 /nfs/dbraw/zinc/39/66/77/608396677.db2.gz IBEBFEFXDCMXRC-INIZCTEOSA-N 1 1 395.511 2.397 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825221103 608407803 /nfs/dbraw/zinc/40/78/03/608407803.db2.gz XZTHHUFINZTRGB-WMZOPIPTSA-N 1 1 392.511 2.419 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825451180 608418105 /nfs/dbraw/zinc/41/81/05/608418105.db2.gz HBTDLTPYQDAGBW-GOSISDBHSA-N 1 1 381.484 2.150 20 0 GEADMO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1n1ccnc1 ZINC000824962306 608453518 /nfs/dbraw/zinc/45/35/18/608453518.db2.gz SEZSPJXWXFFGAC-CJNGLKHVSA-N 1 1 391.439 2.196 20 0 GEADMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1n1ccnc1 ZINC000824962306 608453519 /nfs/dbraw/zinc/45/35/19/608453519.db2.gz SEZSPJXWXFFGAC-CJNGLKHVSA-N 1 1 391.439 2.196 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H](C)CO)c1-c1nn[nH]n1 ZINC000826233845 608456021 /nfs/dbraw/zinc/45/60/21/608456021.db2.gz XOZAKAHKKYFBFS-GFCCVEGCSA-N 1 1 389.504 2.041 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H](C)CO)c1-c1nn[nH]n1 ZINC000826233845 608456023 /nfs/dbraw/zinc/45/60/23/608456023.db2.gz XOZAKAHKKYFBFS-GFCCVEGCSA-N 1 1 389.504 2.041 20 0 GEADMO C[C@H]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554002 608466654 /nfs/dbraw/zinc/46/66/54/608466654.db2.gz LLSDRYUNZLKTNS-AWEZNQCLSA-N 1 1 375.436 2.154 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825451147 608472020 /nfs/dbraw/zinc/47/20/20/608472020.db2.gz GLLJICNNIUFXBZ-HNNXBMFYSA-N 1 1 395.467 2.027 20 0 GEADMO COc1ccccc1/C=C\C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826218504 608508536 /nfs/dbraw/zinc/50/85/36/608508536.db2.gz DUUNDQREHVJNGO-ALCCZGGFSA-N 1 1 377.452 2.106 20 0 GEADMO COc1cccc2cc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)oc21 ZINC000826218277 608510692 /nfs/dbraw/zinc/51/06/92/608510692.db2.gz WYJJIZIZSPDVIF-UHFFFAOYSA-N 1 1 391.435 2.339 20 0 GEADMO CCCOc1cccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000825341808 608512389 /nfs/dbraw/zinc/51/23/89/608512389.db2.gz KSJRETMBUNHFOU-UHFFFAOYSA-N 1 1 379.468 2.373 20 0 GEADMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826333943 608522906 /nfs/dbraw/zinc/52/29/06/608522906.db2.gz AQYXDBMZHDFLLJ-UHFFFAOYSA-N 1 1 397.483 2.264 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1F ZINC000824598323 608527772 /nfs/dbraw/zinc/52/77/72/608527772.db2.gz DSAOENVWAMXDBP-LLVKDONJSA-N 1 1 393.419 2.269 20 0 GEADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1F ZINC000826288123 608530671 /nfs/dbraw/zinc/53/06/71/608530671.db2.gz RYDQPKLXUQPBTN-UHFFFAOYSA-N 1 1 398.442 2.436 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1F ZINC000824599987 608557130 /nfs/dbraw/zinc/55/71/30/608557130.db2.gz VHKYWDIODFLPPG-LLVKDONJSA-N 1 1 393.419 2.269 20 0 GEADMO CN(CC[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000825946215 608583016 /nfs/dbraw/zinc/58/30/16/608583016.db2.gz OBHRHUXIVLJSMC-UHFFFAOYSA-N 1 1 376.461 2.044 20 0 GEADMO O=C1[C@H]([NH+]2CCC(c3cccnc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476121 608584114 /nfs/dbraw/zinc/58/41/14/608584114.db2.gz BDTNQGFBCOJTDK-MRXNPFEDSA-N 1 1 395.492 2.308 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)[C@@H](C)C[N@@H+]1C ZINC000824974493 608597370 /nfs/dbraw/zinc/59/73/70/608597370.db2.gz ACBRLHHJYINGIV-KGLIPLIRSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)[C@@H](C)C[N@H+]1C ZINC000824974493 608597375 /nfs/dbraw/zinc/59/73/75/608597375.db2.gz ACBRLHHJYINGIV-KGLIPLIRSA-N 1 1 396.451 2.203 20 0 GEADMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826060955 608609305 /nfs/dbraw/zinc/60/93/05/608609305.db2.gz XHNMPECMMBCPST-IBGZPJMESA-N 1 1 392.463 2.156 20 0 GEADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825232866 608656811 /nfs/dbraw/zinc/65/68/11/608656811.db2.gz LEDNOGODJXESBO-HOCLYGCPSA-N 1 1 396.499 2.031 20 0 GEADMO CCCn1cc(CN2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cn1 ZINC000825362225 608686413 /nfs/dbraw/zinc/68/64/13/608686413.db2.gz KGWBXVXYFKOPJK-UHFFFAOYSA-N 1 1 386.529 2.243 20 0 GEADMO OCCC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCc2ccccc21 ZINC000826509880 608703590 /nfs/dbraw/zinc/70/35/90/608703590.db2.gz OKIMVCKLYWACMN-LJQANCHMSA-N 1 1 389.463 2.386 20 0 GEADMO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H](O)c1ccc(C)cc1 ZINC000825445286 608723044 /nfs/dbraw/zinc/72/30/44/608723044.db2.gz ZIMDHUISVMBOLY-GOSISDBHSA-N 1 1 377.452 2.378 20 0 GEADMO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC000824359310 608739278 /nfs/dbraw/zinc/73/92/78/608739278.db2.gz UZYWUMCHQWIKIC-GFCCVEGCSA-N 1 1 388.501 2.141 20 0 GEADMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824385395 608845056 /nfs/dbraw/zinc/84/50/56/608845056.db2.gz RXXHDQMEMDSZLZ-UGSOOPFHSA-N 1 1 375.436 2.338 20 0 GEADMO c1ncn(-c2ccccc2C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000826513426 608855437 /nfs/dbraw/zinc/85/54/37/608855437.db2.gz LAWULPFGTUSEJF-IBGZPJMESA-N 1 1 388.435 2.021 20 0 GEADMO c1ncn(-c2ccccc2C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000826513426 608855439 /nfs/dbraw/zinc/85/54/39/608855439.db2.gz LAWULPFGTUSEJF-IBGZPJMESA-N 1 1 388.435 2.021 20 0 GEADMO C[C@@H]1C[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000824875363 609228026 /nfs/dbraw/zinc/22/80/26/609228026.db2.gz MCIUJNDUSJMRNO-ZBFHGGJFSA-N 1 1 379.468 2.225 20 0 GEADMO CC(C)C[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824235475 609254004 /nfs/dbraw/zinc/25/40/04/609254004.db2.gz HTBKEJLJZXDVHR-RISCZKNCSA-N 1 1 394.443 2.473 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H](C)O1 ZINC000826232390 609281886 /nfs/dbraw/zinc/28/18/86/609281886.db2.gz HUBMFKFNWQAUHK-TXEJJXNPSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H](C)O1 ZINC000826232390 609281887 /nfs/dbraw/zinc/28/18/87/609281887.db2.gz HUBMFKFNWQAUHK-TXEJJXNPSA-N 1 1 390.513 2.245 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCOCC3)o2)c1 ZINC000826512919 609283968 /nfs/dbraw/zinc/28/39/68/609283968.db2.gz TXZUITWDMSBMCB-MRXNPFEDSA-N 1 1 381.440 2.308 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1-c1nn[nH]n1 ZINC000826231297 609315580 /nfs/dbraw/zinc/31/55/80/609315580.db2.gz FUSDSCPHQZRWKP-NSHDSACASA-N 1 1 399.524 2.241 20 0 GEADMO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626182 609326359 /nfs/dbraw/zinc/32/63/59/609326359.db2.gz NGPYIZPISRHYKN-ZDUSSCGKSA-N 1 1 383.431 2.088 20 0 GEADMO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000824191856 609336689 /nfs/dbraw/zinc/33/66/89/609336689.db2.gz HBWVOTBJHDRBKC-LJQANCHMSA-N 1 1 394.527 2.477 20 0 GEADMO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546183 609343615 /nfs/dbraw/zinc/34/36/15/609343615.db2.gz GVPITDGWCGWYJJ-NOZJJQNGSA-N 1 1 386.353 2.210 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617623 609343866 /nfs/dbraw/zinc/34/38/66/609343866.db2.gz INOLNENCOUXDSP-LLVKDONJSA-N 1 1 387.440 2.186 20 0 GEADMO CC(C)Oc1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000824328847 609352858 /nfs/dbraw/zinc/35/28/58/609352858.db2.gz BYLFGNQNOXMWNE-CYBMUJFWSA-N 1 1 385.472 2.426 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000823820525 609358556 /nfs/dbraw/zinc/35/85/56/609358556.db2.gz GOKSGILYQXGLLQ-CYBMUJFWSA-N 1 1 394.273 2.214 20 0 GEADMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826132356 609360352 /nfs/dbraw/zinc/36/03/52/609360352.db2.gz CTFPPBYPKKNVMM-LBPRGKRZSA-N 1 1 380.246 2.014 20 0 GEADMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826132356 609360355 /nfs/dbraw/zinc/36/03/55/609360355.db2.gz CTFPPBYPKKNVMM-LBPRGKRZSA-N 1 1 380.246 2.014 20 0 GEADMO CC[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000825460252 609361649 /nfs/dbraw/zinc/36/16/49/609361649.db2.gz SDJCRSFAQFUPKW-UHFFFAOYSA-N 1 1 378.436 2.437 20 0 GEADMO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000825962319 609362069 /nfs/dbraw/zinc/36/20/69/609362069.db2.gz WQLBXLQVCYJXNR-AWEZNQCLSA-N 1 1 377.290 2.298 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000825914519 609379912 /nfs/dbraw/zinc/37/99/12/609379912.db2.gz IKCSJXZRNVRPSI-BLLLJJGKSA-N 1 1 392.891 2.332 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCc1ccncc1 ZINC000824051937 609485131 /nfs/dbraw/zinc/48/51/31/609485131.db2.gz IQHKFSPPCMVDJO-GFCCVEGCSA-N 1 1 397.508 2.313 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCc1ccncc1 ZINC000824051937 609485133 /nfs/dbraw/zinc/48/51/33/609485133.db2.gz IQHKFSPPCMVDJO-GFCCVEGCSA-N 1 1 397.508 2.313 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824223325 609493766 /nfs/dbraw/zinc/49/37/66/609493766.db2.gz GUBNUYZYRFXLIN-ZDUSSCGKSA-N 1 1 395.414 2.272 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNc3nccc(C)c3-c3nn[nH]n3)CC2)oc1C ZINC000826313435 609551939 /nfs/dbraw/zinc/55/19/39/609551939.db2.gz GVBKBRRLAKKFOG-UHFFFAOYSA-N 1 1 382.472 2.499 20 0 GEADMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000447089442 649997006 /nfs/dbraw/zinc/99/70/06/649997006.db2.gz VYTVADWHAWXGLP-CQSZACIVSA-N 1 1 392.297 2.183 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@H]1C ZINC000447147346 649999383 /nfs/dbraw/zinc/99/93/83/649999383.db2.gz IRDHTQXMRLQCMQ-VXGBXAGGSA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@H]1C ZINC000447147346 649999387 /nfs/dbraw/zinc/99/93/87/649999387.db2.gz IRDHTQXMRLQCMQ-VXGBXAGGSA-N 1 1 383.290 2.032 20 0 GEADMO COC(=O)c1coc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000447534316 650007423 /nfs/dbraw/zinc/00/74/23/650007423.db2.gz WFZAEOGHDBVACZ-LLVKDONJSA-N 1 1 386.857 2.349 20 0 GEADMO Cn1cc(Br)cc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1=O ZINC000448004614 650012745 /nfs/dbraw/zinc/01/27/45/650012745.db2.gz PITKCZZXUSAZDP-CYBMUJFWSA-N 1 1 385.306 2.390 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1 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C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453639073 650211348 /nfs/dbraw/zinc/21/13/48/650211348.db2.gz FBSOVZJJUIXNDD-NSHDSACASA-N 1 1 391.269 2.146 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000453644747 650211742 /nfs/dbraw/zinc/21/17/42/650211742.db2.gz NLEIJSNRDFBRLD-UHFFFAOYSA-N 1 1 397.317 2.472 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453698604 650217013 /nfs/dbraw/zinc/21/70/13/650217013.db2.gz PEYCTGBBLQSDJZ-ZDUSSCGKSA-N 1 1 383.290 2.034 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(Br)cnc2C)C[C@H]1C ZINC000453722960 650219777 /nfs/dbraw/zinc/21/97/77/650219777.db2.gz RSFUERXOZMMAHK-GHMZBOCLSA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(Br)cnc2C)C[C@H]1C ZINC000453722960 650219781 /nfs/dbraw/zinc/21/97/81/650219781.db2.gz RSFUERXOZMMAHK-GHMZBOCLSA-N 1 1 383.290 2.032 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000453741957 650221954 /nfs/dbraw/zinc/22/19/54/650221954.db2.gz GWGITMMWHRPZNR-CQSZACIVSA-N 1 1 395.301 2.224 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+](C2CC2)C1 ZINC000453773412 650225831 /nfs/dbraw/zinc/22/58/31/650225831.db2.gz RRLXPLVHTSRJGD-LBPRGKRZSA-N 1 1 380.286 2.330 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000453995685 650244377 /nfs/dbraw/zinc/24/43/77/650244377.db2.gz LXPMTVOTNMWWFS-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000453997432 650245013 /nfs/dbraw/zinc/24/50/13/650245013.db2.gz NMFXJRJWPQUDMN-LLVKDONJSA-N 1 1 386.265 2.469 20 0 GEADMO C[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)O1 ZINC000454109425 650253877 /nfs/dbraw/zinc/25/38/77/650253877.db2.gz CLCUVXVPIRHSEN-FZMZJTMJSA-N 1 1 398.301 2.133 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C)c(Br)s1 ZINC000454525404 650268473 /nfs/dbraw/zinc/26/84/73/650268473.db2.gz JTBYRWYEPYYHQY-NSHDSACASA-N 1 1 391.335 2.124 20 0 GEADMO COc1ccc(Br)c(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000454655686 650274931 /nfs/dbraw/zinc/27/49/31/650274931.db2.gz KIXGLLUSYXGYSL-LBPRGKRZSA-N 1 1 386.290 2.426 20 0 GEADMO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@H]1C ZINC000455663310 650312082 /nfs/dbraw/zinc/31/20/82/650312082.db2.gz SQNBXZZSPIDMDB-NEPJUHHUSA-N 1 1 380.436 2.499 20 0 GEADMO CCOCC[N@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@H]1C ZINC000455663310 650312085 /nfs/dbraw/zinc/31/20/85/650312085.db2.gz SQNBXZZSPIDMDB-NEPJUHHUSA-N 1 1 380.436 2.499 20 0 GEADMO C[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@H+]1CCCC[C@@H]1C ZINC000455839531 650321175 /nfs/dbraw/zinc/32/11/75/650321175.db2.gz HPFBNDUSRDUNIO-RYUDHWBXSA-N 1 1 395.305 2.876 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455845774 650321298 /nfs/dbraw/zinc/32/12/98/650321298.db2.gz NWJAOVQDQIACGZ-NWDGAFQWSA-N 1 1 395.305 2.734 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)cn1 ZINC000455850203 650321673 /nfs/dbraw/zinc/32/16/73/650321673.db2.gz REHXZETZGHUBAX-STQMWFEESA-N 1 1 385.249 2.385 20 0 GEADMO C[NH+](C)[C@@]1(CNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)CCSC1 ZINC000455875057 650324988 /nfs/dbraw/zinc/32/49/88/650324988.db2.gz MOGLMCOGXBYIGQ-GOSISDBHSA-N 1 1 382.551 2.037 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC(F)(F)F)CC1 ZINC000455893211 650325225 /nfs/dbraw/zinc/32/52/25/650325225.db2.gz HUZKVJKRGQRRSU-UHFFFAOYSA-N 1 1 396.211 2.280 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456214880 650334304 /nfs/dbraw/zinc/33/43/04/650334304.db2.gz SZFAKIJNGUBCTO-HZSPNIEDSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456214880 650334306 /nfs/dbraw/zinc/33/43/06/650334306.db2.gz SZFAKIJNGUBCTO-HZSPNIEDSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456305503 650336783 /nfs/dbraw/zinc/33/67/83/650336783.db2.gz BJSWMCOPTSMLJT-GVZPALNKSA-N 1 1 394.313 2.309 20 0 GEADMO COC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456383980 650338645 /nfs/dbraw/zinc/33/86/45/650338645.db2.gz ZDRVKAZBISORGH-LBPRGKRZSA-N 1 1 398.301 2.481 20 0 GEADMO COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456594305 650350868 /nfs/dbraw/zinc/35/08/68/650350868.db2.gz RDSGOZOYJFIAGA-CHWSQXEVSA-N 1 1 399.333 2.453 20 0 GEADMO COC[C@H](C)[C@H](C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456594308 650350900 /nfs/dbraw/zinc/35/09/00/650350900.db2.gz RDSGOZOYJFIAGA-STQMWFEESA-N 1 1 399.333 2.453 20 0 GEADMO CC[C@H](C)OCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456595868 650350920 /nfs/dbraw/zinc/35/09/20/650350920.db2.gz SMDKCXLUXLNZDU-LBPRGKRZSA-N 1 1 385.306 2.350 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456733045 650361327 /nfs/dbraw/zinc/36/13/27/650361327.db2.gz VMBCGTZDZVUICH-XBFCOCLRSA-N 1 1 387.293 2.053 20 0 GEADMO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000500290649 650374550 /nfs/dbraw/zinc/37/45/50/650374550.db2.gz TZVMAORSFGLDBY-ZDUSSCGKSA-N 1 1 385.295 2.274 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000457881527 650388234 /nfs/dbraw/zinc/38/82/34/650388234.db2.gz LCDGTBRWJXMADQ-ZDUSSCGKSA-N 1 1 397.317 2.419 20 0 GEADMO OC[C@@H]1CSCC[N@H+]1CCCOc1cccc(I)c1 ZINC000501530083 650394079 /nfs/dbraw/zinc/39/40/79/650394079.db2.gz FYFVMWVUFWLKCK-CYBMUJFWSA-N 1 1 393.290 2.470 20 0 GEADMO C[C@H](C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[NH+]1CCSCC1 ZINC000501538041 650394539 /nfs/dbraw/zinc/39/45/39/650394539.db2.gz DNVVLCIIBONHPI-NEPJUHHUSA-N 1 1 385.892 2.138 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000458168895 650398550 /nfs/dbraw/zinc/39/85/50/650398550.db2.gz DUHUMMYIJYDJSX-CYBMUJFWSA-N 1 1 382.302 2.027 20 0 GEADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000501920462 650399258 /nfs/dbraw/zinc/39/92/58/650399258.db2.gz URHOTWCMCBUFIK-QGZVFWFLSA-N 1 1 378.604 2.425 20 0 GEADMO COc1cc(Br)c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1OC ZINC000501949806 650399462 /nfs/dbraw/zinc/39/94/62/650399462.db2.gz RVJAIIUXDCFCBU-STQMWFEESA-N 1 1 387.318 2.353 20 0 GEADMO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000458379524 650401335 /nfs/dbraw/zinc/40/13/35/650401335.db2.gz GQJUZNMPBXOOQD-CQSZACIVSA-N 1 1 398.345 2.302 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000501980064 650399769 /nfs/dbraw/zinc/39/97/69/650399769.db2.gz PRNNEWIAQPFEQD-STQMWFEESA-N 1 1 381.318 2.223 20 0 GEADMO C[NH+]1CCC(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000458339906 650400406 /nfs/dbraw/zinc/40/04/06/650400406.db2.gz SCBQIWJTESATDU-UHFFFAOYSA-N 1 1 380.290 2.466 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458549147 650405285 /nfs/dbraw/zinc/40/52/85/650405285.db2.gz STQMBDLSWPDBJU-ZBFHGGJFSA-N 1 1 398.345 2.478 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000458549147 650405287 /nfs/dbraw/zinc/40/52/87/650405287.db2.gz STQMBDLSWPDBJU-ZBFHGGJFSA-N 1 1 398.345 2.478 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000458612607 650406133 /nfs/dbraw/zinc/40/61/33/650406133.db2.gz FWNPJZBGISHUTL-ZDUSSCGKSA-N 1 1 390.311 2.218 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000458612607 650406135 /nfs/dbraw/zinc/40/61/35/650406135.db2.gz FWNPJZBGISHUTL-ZDUSSCGKSA-N 1 1 390.311 2.218 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458689687 650407919 /nfs/dbraw/zinc/40/79/19/650407919.db2.gz NRSAZHALKHZMFK-MRXNPFEDSA-N 1 1 384.318 2.404 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503033986 650413976 /nfs/dbraw/zinc/41/39/76/650413976.db2.gz YPRNOTCTWQIHMG-UHFFFAOYSA-N 1 1 379.245 2.354 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000458943871 650415214 /nfs/dbraw/zinc/41/52/14/650415214.db2.gz PEBLZADJDQJJBA-GFCCVEGCSA-N 1 1 376.284 2.080 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000458943871 650415216 /nfs/dbraw/zinc/41/52/16/650415216.db2.gz PEBLZADJDQJJBA-GFCCVEGCSA-N 1 1 376.284 2.080 20 0 GEADMO CSC[C@@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503208085 650415722 /nfs/dbraw/zinc/41/57/22/650415722.db2.gz UVAMDWWBGLPLHW-NSHDSACASA-N 1 1 381.361 2.173 20 0 GEADMO CSC[C@@H](O)C[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503208085 650415723 /nfs/dbraw/zinc/41/57/23/650415723.db2.gz UVAMDWWBGLPLHW-NSHDSACASA-N 1 1 381.361 2.173 20 0 GEADMO C[N@H+](CCOCCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000503270854 650416783 /nfs/dbraw/zinc/41/67/83/650416783.db2.gz UVCZGSKMKFOXIV-UHFFFAOYSA-N 1 1 399.207 2.347 20 0 GEADMO C[N@@H+](CCOCCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000503270854 650416785 /nfs/dbraw/zinc/41/67/85/650416785.db2.gz UVCZGSKMKFOXIV-UHFFFAOYSA-N 1 1 399.207 2.347 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000503278304 650417253 /nfs/dbraw/zinc/41/72/53/650417253.db2.gz 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0 GEADMO Cn1ncc(Br)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000487299113 650732428 /nfs/dbraw/zinc/73/24/28/650732428.db2.gz TZKNYASKHPOGMW-YCPHGPKFSA-N 1 1 389.297 2.429 20 0 GEADMO COc1cc(Cl)c(Cl)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000487733525 650737334 /nfs/dbraw/zinc/73/73/34/650737334.db2.gz ULPCNMILCFMBRQ-NSHDSACASA-N 1 1 388.295 2.319 20 0 GEADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000008351408 642351598 /nfs/dbraw/zinc/35/15/98/642351598.db2.gz QDMDGNPEXKTLDO-CYBMUJFWSA-N 1 1 387.933 2.242 20 0 GEADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000011229507 642367698 /nfs/dbraw/zinc/36/76/98/642367698.db2.gz APFCTAHHFWWGJX-LLVKDONJSA-N 1 1 384.274 2.136 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000022319288 642404615 /nfs/dbraw/zinc/40/46/15/642404615.db2.gz CJZSYQNEXWNRTI-INIZCTEOSA-N 1 1 386.279 2.325 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488610874 650749042 /nfs/dbraw/zinc/74/90/42/650749042.db2.gz RVKMOYYXEGQLOC-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488610874 650749044 /nfs/dbraw/zinc/74/90/44/650749044.db2.gz RVKMOYYXEGQLOC-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)COC[C@H]1CCCO1 ZINC000533238378 650758704 /nfs/dbraw/zinc/75/87/04/650758704.db2.gz JCAKGWMHGBXWHL-CHWSQXEVSA-N 1 1 391.295 2.420 20 0 GEADMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)COC[C@H]1CCCO1 ZINC000533238378 650758708 /nfs/dbraw/zinc/75/87/08/650758708.db2.gz JCAKGWMHGBXWHL-CHWSQXEVSA-N 1 1 391.295 2.420 20 0 GEADMO O=S(=O)(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000532770926 650753110 /nfs/dbraw/zinc/75/31/10/650753110.db2.gz PXUXUZNVENRJLR-MRXNPFEDSA-N 1 1 386.926 2.317 20 0 GEADMO COCC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCOC1 ZINC000490040040 650766805 /nfs/dbraw/zinc/76/68/05/650766805.db2.gz MJHXKMXPGWILIA-CYBMUJFWSA-N 1 1 391.331 2.206 20 0 GEADMO COCC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCOC1 ZINC000490040040 650766806 /nfs/dbraw/zinc/76/68/06/650766806.db2.gz MJHXKMXPGWILIA-CYBMUJFWSA-N 1 1 391.331 2.206 20 0 GEADMO COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000533331591 650760299 /nfs/dbraw/zinc/76/02/99/650760299.db2.gz SKYDQMYNMGLSED-UHFFFAOYSA-N 1 1 399.266 2.470 20 0 GEADMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1I ZINC000489646739 650760735 /nfs/dbraw/zinc/76/07/35/650760735.db2.gz ZFZHNRHCCDTMCH-UHFFFAOYSA-N 1 1 396.294 2.218 20 0 GEADMO NC(=O)C[NH+]1CCC(NC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000043121582 642558257 /nfs/dbraw/zinc/55/82/57/642558257.db2.gz YBEYBXOXQFYJFN-UHFFFAOYSA-N 1 1 376.309 2.151 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=S)NCCNc1ccc(C(F)(F)F)cn1 ZINC000046102970 642604239 /nfs/dbraw/zinc/60/42/39/642604239.db2.gz CVWCAGWBTPELQZ-ZDUSSCGKSA-N 1 1 375.464 2.461 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000046857636 642617748 /nfs/dbraw/zinc/61/77/48/642617748.db2.gz WZKOODUELMIMEY-CQSZACIVSA-N 1 1 385.555 2.137 20 0 GEADMO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000047146897 642621674 /nfs/dbraw/zinc/62/16/74/642621674.db2.gz FHOHTQMYURXWJS-GFCCVEGCSA-N 1 1 378.416 2.442 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000047146897 642621680 /nfs/dbraw/zinc/62/16/80/642621680.db2.gz FHOHTQMYURXWJS-GFCCVEGCSA-N 1 1 378.416 2.442 20 0 GEADMO O=C(Nc1ccc2cccc(Br)c2n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000490395623 650771677 /nfs/dbraw/zinc/77/16/77/650771677.db2.gz BMGYTGNTGDBNOR-AWEZNQCLSA-N 1 1 375.270 2.326 20 0 GEADMO C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCSC1 ZINC000534307831 650771934 /nfs/dbraw/zinc/77/19/34/650771934.db2.gz DFPIUYKTXLDQHA-DGCLKSJQSA-N 1 1 385.892 2.138 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)c1ccco1 ZINC000048732130 642660585 /nfs/dbraw/zinc/66/05/85/642660585.db2.gz SPHPBSQUJILCML-ZDUSSCGKSA-N 1 1 380.242 2.400 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)CC1 ZINC000050122626 642677088 /nfs/dbraw/zinc/67/70/88/642677088.db2.gz LTTXYWFSGLRGKG-INIZCTEOSA-N 1 1 383.945 2.356 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000050202900 642677840 /nfs/dbraw/zinc/67/78/40/642677840.db2.gz KDDQIZOYQXUYEP-ZDUSSCGKSA-N 1 1 396.285 2.093 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000050203965 642678503 /nfs/dbraw/zinc/67/85/03/642678503.db2.gz QVCWIYKJMQFKJD-CYBMUJFWSA-N 1 1 380.286 2.393 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561627 642721615 /nfs/dbraw/zinc/72/16/15/642721615.db2.gz UQSDFUBGBDBGGT-AWEZNQCLSA-N 1 1 383.290 2.171 20 0 GEADMO O=c1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc2ccc(Br)cn12 ZINC000052753158 642726785 /nfs/dbraw/zinc/72/67/85/642726785.db2.gz LTRZXASDRNUNNG-LBPRGKRZSA-N 1 1 378.270 2.458 20 0 GEADMO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1Br ZINC000054103121 642746957 /nfs/dbraw/zinc/74/69/57/642746957.db2.gz HUGJIKWUMRFZDT-UHFFFAOYSA-N 1 1 375.230 2.300 20 0 GEADMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)N1CCCCC1 ZINC000054182363 642747615 /nfs/dbraw/zinc/74/76/15/642747615.db2.gz RLCAHQMOXFMRHI-UKRRQHHQSA-N 1 1 388.965 2.169 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000054982958 642766135 /nfs/dbraw/zinc/76/61/35/642766135.db2.gz IXFDJSTUZQQMOD-QGZVFWFLSA-N 1 1 383.945 2.310 20 0 GEADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000491918313 650789197 /nfs/dbraw/zinc/78/91/97/650789197.db2.gz ACYJFWKGZHYLFS-HZPDHXFCSA-N 1 1 383.286 2.070 20 0 GEADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000491918313 650789202 /nfs/dbraw/zinc/78/92/02/650789202.db2.gz ACYJFWKGZHYLFS-HZPDHXFCSA-N 1 1 383.286 2.070 20 0 GEADMO COC(=O)[C@]1(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCSC1 ZINC000491078001 650782791 /nfs/dbraw/zinc/78/27/91/650782791.db2.gz UJKSCPYTOLPLHE-HFAKWTLXSA-N 1 1 382.448 2.060 20 0 GEADMO O=C(NCCOc1ccccc1C(F)(F)F)NCC[NH+]1CCSCC1 ZINC000491054603 650782858 /nfs/dbraw/zinc/78/28/58/650782858.db2.gz QUZSRDYUZYPWNX-UHFFFAOYSA-N 1 1 377.432 2.432 20 0 GEADMO Cc1nn2cc(S(=O)(=O)NC[C@H](c3ccsc3)[NH+](C)C)cnc2c1Cl ZINC000535041758 650783545 /nfs/dbraw/zinc/78/35/45/650783545.db2.gz BMPJYXFHDJUMQD-CYBMUJFWSA-N 1 1 399.929 2.334 20 0 GEADMO Cc1n[nH]c(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000057552669 642814202 /nfs/dbraw/zinc/81/42/02/642814202.db2.gz YMPQFTUCZQNMHW-LOWVWBTDSA-N 1 1 385.306 2.194 20 0 GEADMO Cc1n[nH]c(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000057552669 642814207 /nfs/dbraw/zinc/81/42/07/642814207.db2.gz YMPQFTUCZQNMHW-LOWVWBTDSA-N 1 1 385.306 2.194 20 0 GEADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[N@@H+](C)C1CC1 ZINC000057710752 642814671 /nfs/dbraw/zinc/81/46/71/642814671.db2.gz SHOVBWLYUDEKRU-CHWSQXEVSA-N 1 1 394.313 2.401 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000060435141 642836836 /nfs/dbraw/zinc/83/68/36/642836836.db2.gz NHOQHOFOGJPLLI-XJKSGUPXSA-N 1 1 384.571 2.068 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000535154676 650786211 /nfs/dbraw/zinc/78/62/11/650786211.db2.gz OLQUIMZMDFZJAZ-CQSZACIVSA-N 1 1 393.285 2.085 20 0 GEADMO O=C(COc1ccc(I)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000063116251 642852363 /nfs/dbraw/zinc/85/23/63/642852363.db2.gz WSISZKNQMMLHQU-LBPRGKRZSA-N 1 1 386.233 2.023 20 0 GEADMO Cc1cc(NNC(=S)NCCC[NH+]2CCOCC2)ccc1Br ZINC000063847871 642863586 /nfs/dbraw/zinc/86/35/86/642863586.db2.gz FWKLJQJOCBPYPY-UHFFFAOYSA-N 1 1 387.347 2.271 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000492829817 650792138 /nfs/dbraw/zinc/79/21/38/650792138.db2.gz LMFOYKGXCPFVKM-HZPDHXFCSA-N 1 1 390.311 2.171 20 0 GEADMO CN(CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C(=O)c1ccc(Br)o1 ZINC000492876228 650792268 /nfs/dbraw/zinc/79/22/68/650792268.db2.gz VMWILTJFHIITFC-STQMWFEESA-N 1 1 398.301 2.057 20 0 GEADMO O=C(NCCc1ccccc1Br)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000064242758 642871282 /nfs/dbraw/zinc/87/12/82/642871282.db2.gz ZXGSXIYLNVZCQY-INIZCTEOSA-N 1 1 396.329 2.498 20 0 GEADMO O=S(=O)(c1ccccc1)N1CCC[N@H+](CCCOCC(F)(F)F)CC1 ZINC000064352881 642873606 /nfs/dbraw/zinc/87/36/06/642873606.db2.gz BAHVODVJJUHRCV-UHFFFAOYSA-N 1 1 380.432 2.352 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000066138622 642898754 /nfs/dbraw/zinc/89/87/54/642898754.db2.gz PQHSJDIRNRYXLN-LBPRGKRZSA-N 1 1 375.922 2.050 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000066149904 642899184 /nfs/dbraw/zinc/89/91/84/642899184.db2.gz NTSOWKOQCJFRPC-LBPRGKRZSA-N 1 1 375.922 2.050 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C[C@H](C)O1 ZINC000066482776 642915298 /nfs/dbraw/zinc/91/52/98/642915298.db2.gz GMQVYEYZBCFVQS-LOWVWBTDSA-N 1 1 386.279 2.173 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C[C@H](C)O1 ZINC000066482776 642915309 /nfs/dbraw/zinc/91/53/09/642915309.db2.gz GMQVYEYZBCFVQS-LOWVWBTDSA-N 1 1 386.279 2.173 20 0 GEADMO COC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000066568993 642921693 /nfs/dbraw/zinc/92/16/93/642921693.db2.gz ICBXAASPNPRLQX-AWEZNQCLSA-N 1 1 382.507 2.424 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493907338 650798680 /nfs/dbraw/zinc/79/86/80/650798680.db2.gz OBUNISWHZSRHJO-UHFFFAOYSA-N 1 1 399.738 2.349 20 0 GEADMO NC(=O)[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 ZINC000066940489 642954824 /nfs/dbraw/zinc/95/48/24/642954824.db2.gz KFAUGQBRPUOYPS-OAHLLOKOSA-N 1 1 394.244 2.134 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000536439780 650802055 /nfs/dbraw/zinc/80/20/55/650802055.db2.gz JMIWRYAYDRETFW-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000536439780 650802061 /nfs/dbraw/zinc/80/20/61/650802061.db2.gz JMIWRYAYDRETFW-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000067865404 642978865 /nfs/dbraw/zinc/97/88/65/642978865.db2.gz CQQGXPAYQWEEJA-RDJZCZTQSA-N 1 1 394.313 2.369 20 0 GEADMO CC(C)[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000068782080 643011463 /nfs/dbraw/zinc/01/14/63/643011463.db2.gz KWKDTGWJPUEFOR-UHFFFAOYSA-N 1 1 387.933 2.147 20 0 GEADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000068906637 643015715 /nfs/dbraw/zinc/01/57/15/643015715.db2.gz KKPLMOKHNGGBMB-UHFFFAOYSA-N 1 1 387.933 2.242 20 0 GEADMO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000069140788 643020808 /nfs/dbraw/zinc/02/08/08/643020808.db2.gz JDPLZIWKJVPOSU-LBPRGKRZSA-N 1 1 399.563 2.332 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000069137956 643020903 /nfs/dbraw/zinc/02/09/03/643020903.db2.gz UUCDSBDRPRMRDS-CYBMUJFWSA-N 1 1 387.933 2.052 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000494404328 650806785 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399.308 2.371 20 0 GEADMO COCC[NH+]1CCN(C(=O)Nc2cc(Br)c(F)cc2OC)CC1 ZINC000417554738 648251974 /nfs/dbraw/zinc/25/19/74/648251974.db2.gz JXEZRDFQLSCMBO-UHFFFAOYSA-N 1 1 390.253 2.393 20 0 GEADMO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417718257 648258605 /nfs/dbraw/zinc/25/86/05/648258605.db2.gz BONWYTBSPNDGSH-ZDUSSCGKSA-N 1 1 393.289 2.257 20 0 GEADMO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417718257 648258609 /nfs/dbraw/zinc/25/86/09/648258609.db2.gz BONWYTBSPNDGSH-ZDUSSCGKSA-N 1 1 393.289 2.257 20 0 GEADMO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417721099 648259230 /nfs/dbraw/zinc/25/92/30/648259230.db2.gz FKPNYKPFDSGAAU-GXFFZTMASA-N 1 1 393.289 2.031 20 0 GEADMO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417721099 648259234 /nfs/dbraw/zinc/25/92/34/648259234.db2.gz FKPNYKPFDSGAAU-GXFFZTMASA-N 1 1 393.289 2.031 20 0 GEADMO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417720073 648259298 /nfs/dbraw/zinc/25/92/98/648259298.db2.gz DJCMGNYJSWPMPY-ZWNOBZJWSA-N 1 1 393.289 2.031 20 0 GEADMO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417720073 648259301 /nfs/dbraw/zinc/25/93/01/648259301.db2.gz DJCMGNYJSWPMPY-ZWNOBZJWSA-N 1 1 393.289 2.031 20 0 GEADMO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417729657 648259817 /nfs/dbraw/zinc/25/98/17/648259817.db2.gz NELJFXXZMOQAOA-CMPLNLGQSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417729657 648259819 /nfs/dbraw/zinc/25/98/19/648259819.db2.gz NELJFXXZMOQAOA-CMPLNLGQSA-N 1 1 393.289 2.113 20 0 GEADMO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417730856 648259840 /nfs/dbraw/zinc/25/98/40/648259840.db2.gz OHIUSZLEBJRJLE-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417730856 648259842 /nfs/dbraw/zinc/25/98/42/648259842.db2.gz OHIUSZLEBJRJLE-ZDUSSCGKSA-N 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C[C@H]1C[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000741725639 651956392 /nfs/dbraw/zinc/95/63/92/651956392.db2.gz ROSVYYBSUCEALP-JQWIXIFHSA-N 1 1 389.315 2.065 20 0 GEADMO Cn1cnnc1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000653820898 651956678 /nfs/dbraw/zinc/95/66/78/651956678.db2.gz UHEZAPNGSWRPTA-UHFFFAOYSA-N 1 1 383.283 2.273 20 0 GEADMO Cn1cc(Br)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000573446577 651957103 /nfs/dbraw/zinc/95/71/03/651957103.db2.gz JYLGQENLQCFGQF-CQSZACIVSA-N 1 1 377.286 3.033 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000654549605 651963542 /nfs/dbraw/zinc/96/35/42/651963542.db2.gz XKRKPEWVWFGXGG-LLVKDONJSA-N 1 1 388.331 2.182 20 0 GEADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Br)c[nH]1 ZINC000617698049 651963594 /nfs/dbraw/zinc/96/35/94/651963594.db2.gz MUQBUNZNEMIVNK-HNNXBMFYSA-N 1 1 378.270 2.274 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000655088362 651977133 /nfs/dbraw/zinc/97/71/33/651977133.db2.gz RSWKBZFXIMFHNV-LRDDRELGSA-N 1 1 380.279 2.409 20 0 GEADMO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655136781 651980976 /nfs/dbraw/zinc/98/09/76/651980976.db2.gz CDVXTQOEPQHRBC-DZGCQCFKSA-N 1 1 383.330 2.367 20 0 GEADMO O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655345751 651987378 /nfs/dbraw/zinc/98/73/78/651987378.db2.gz CEQDXGIXGNCYIO-CVEARBPZSA-N 1 1 394.313 2.312 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742589579 651993440 /nfs/dbraw/zinc/99/34/40/651993440.db2.gz BLXGHQFPMPPNOK-AWEZNQCLSA-N 1 1 383.286 2.487 20 0 GEADMO CN(C(=O)c1[nH]nc2ccc(I)cc21)C1(C[NH3+])CCC1 ZINC000574160321 652004667 /nfs/dbraw/zinc/00/46/67/652004667.db2.gz UJALKLUOHFAUTK-UHFFFAOYSA-N 1 1 384.221 2.121 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000574170458 652005619 /nfs/dbraw/zinc/00/56/19/652005619.db2.gz QBOSEGUSIMJEAQ-QGZVFWFLSA-N 1 1 379.302 2.483 20 0 GEADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccncc1Br ZINC000574180432 652006253 /nfs/dbraw/zinc/00/62/53/652006253.db2.gz MAMRLPDBZAMFFL-UHFFFAOYSA-N 1 1 397.317 2.423 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000655759991 652010498 /nfs/dbraw/zinc/01/04/98/652010498.db2.gz JRTIQPVMXFRGMC-KRWDZBQOSA-N 1 1 379.302 2.099 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000655759991 652010501 /nfs/dbraw/zinc/01/05/01/652010501.db2.gz JRTIQPVMXFRGMC-KRWDZBQOSA-N 1 1 379.302 2.099 20 0 GEADMO C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000574252590 652011130 /nfs/dbraw/zinc/01/11/30/652011130.db2.gz SGHPAOHSRNMURU-LBPRGKRZSA-N 1 1 382.306 2.470 20 0 GEADMO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000574305595 652014656 /nfs/dbraw/zinc/01/46/56/652014656.db2.gz UVALNQFUYNWPDG-LLVKDONJSA-N 1 1 391.921 2.314 20 0 GEADMO Brc1cccc2c1CN(c1cc[nH+]c(N3CCOCC3)n1)CCO2 ZINC000656222651 652027382 /nfs/dbraw/zinc/02/73/82/652027382.db2.gz QOXMNBPJDZHVMW-UHFFFAOYSA-N 1 1 391.269 2.475 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)COc1cc(F)c(Br)cc1C(C)=O ZINC000574823202 652045334 /nfs/dbraw/zinc/04/53/34/652045334.db2.gz RKBHARFECICDLJ-NSHDSACASA-N 1 1 378.238 2.109 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000574824338 652046148 /nfs/dbraw/zinc/04/61/48/652046148.db2.gz SUPKRSGLCSRBHH-CQSZACIVSA-N 1 1 396.329 2.222 20 0 GEADMO COC(=O)[C@](C)(NCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000744403356 652047503 /nfs/dbraw/zinc/04/75/03/652047503.db2.gz YERVCIMFYXKLEN-QGZVFWFLSA-N 1 1 385.302 2.149 20 0 GEADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000574947976 652054201 /nfs/dbraw/zinc/05/42/01/652054201.db2.gz AMXRGTIWKSAEQC-UHFFFAOYSA-N 1 1 399.929 2.133 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2noc(/C=C/c3cccc(Br)c3)n2)CC1 ZINC000574980244 652055957 /nfs/dbraw/zinc/05/59/57/652055957.db2.gz RIYHETIEGAIJQM-AATRIKPKSA-N 1 1 391.269 2.319 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1Br)c1cccs1 ZINC000656863388 652060575 /nfs/dbraw/zinc/06/05/75/652060575.db2.gz QSYJKEHKOBWOLG-LLVKDONJSA-N 1 1 390.328 2.487 20 0 GEADMO O=S(=O)(CCc1ccccc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000656889409 652062294 /nfs/dbraw/zinc/06/22/94/652062294.db2.gz YDIDMTNRCFHXIS-KRWDZBQOSA-N 1 1 386.945 2.399 20 0 GEADMO O=S(=O)(CCc1ccccc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000656889409 652062303 /nfs/dbraw/zinc/06/23/03/652062303.db2.gz YDIDMTNRCFHXIS-KRWDZBQOSA-N 1 1 386.945 2.399 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890349 652063045 /nfs/dbraw/zinc/06/30/45/652063045.db2.gz GZWMDMPDLPRKJA-LSDHHAIUSA-N 1 1 387.512 2.253 20 0 GEADMO O=S(=O)(c1ncccc1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000656939822 652069445 /nfs/dbraw/zinc/06/94/45/652069445.db2.gz YITDNHPAXUBYGC-UHFFFAOYSA-N 1 1 388.331 2.483 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000619741211 652075307 /nfs/dbraw/zinc/07/53/07/652075307.db2.gz QRAUKYZJTKUQCI-UPJWGTAASA-N 1 1 377.348 2.413 20 0 GEADMO C[C@@H]1C[NH+](C[C@@H](O)CN(C)Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000619741211 652075311 /nfs/dbraw/zinc/07/53/11/652075311.db2.gz QRAUKYZJTKUQCI-UPJWGTAASA-N 1 1 377.348 2.413 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1Cl ZINC000656961548 652075497 /nfs/dbraw/zinc/07/54/97/652075497.db2.gz DDBNKGSHFNIXQD-UHFFFAOYSA-N 1 1 387.977 2.170 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656962537 652076039 /nfs/dbraw/zinc/07/60/39/652076039.db2.gz NJQRYAOHHYBZKO-UHFFFAOYSA-N 1 1 391.940 2.267 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000575794972 652077679 /nfs/dbraw/zinc/07/76/79/652077679.db2.gz MVCUOYMZXMRNAW-GFCCVEGCSA-N 1 1 388.306 2.351 20 0 GEADMO OC[C@]1(F)CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000619816187 652080182 /nfs/dbraw/zinc/08/01/82/652080182.db2.gz OJKOGNLMTTZMRZ-AWEZNQCLSA-N 1 1 379.213 2.466 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000619896135 652083686 /nfs/dbraw/zinc/08/36/86/652083686.db2.gz ZHALCDDDKJTCEO-GDBMZVCRSA-N 1 1 394.313 2.403 20 0 GEADMO Cn1cc(Br)cc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619972537 652085081 /nfs/dbraw/zinc/08/50/81/652085081.db2.gz DKTNZELWXCDXFS-HUUCEWRRSA-N 1 1 382.302 2.161 20 0 GEADMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)NCC(=O)OC ZINC000575982533 652088675 /nfs/dbraw/zinc/08/86/75/652088675.db2.gz MCGHQHSORUSCPW-ZDUSSCGKSA-N 1 1 383.286 2.265 20 0 GEADMO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000657028110 652090941 /nfs/dbraw/zinc/09/09/41/652090941.db2.gz CXAGTKYFKPXNBR-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000657028110 652090944 /nfs/dbraw/zinc/09/09/44/652090944.db2.gz CXAGTKYFKPXNBR-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000576059652 652093668 /nfs/dbraw/zinc/09/36/68/652093668.db2.gz KUHFFHLLRGDPKA-JTQLQIEISA-N 1 1 380.436 2.187 20 0 GEADMO COC(=O)c1nn(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1Br ZINC000746381109 652102967 /nfs/dbraw/zinc/10/29/67/652102967.db2.gz DUPHIPQCUPFESJ-AWEZNQCLSA-N 1 1 399.333 2.362 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)sc1C ZINC000657085135 652108051 /nfs/dbraw/zinc/10/80/51/652108051.db2.gz MSNKIEVDMNYHOB-QGZVFWFLSA-N 1 1 380.535 2.410 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000657086184 652108219 /nfs/dbraw/zinc/10/82/19/652108219.db2.gz QALUKIQDLBEPFG-KRWDZBQOSA-N 1 1 380.535 2.410 20 0 GEADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](CO)c1cccc(Br)c1)CC2 ZINC000576351250 652109339 /nfs/dbraw/zinc/10/93/39/652109339.db2.gz XDNMCTKSXWIADW-CZUORRHYSA-N 1 1 378.270 2.366 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746472781 652109674 /nfs/dbraw/zinc/10/96/74/652109674.db2.gz NJTBMJBYJNWCRI-UHFFFAOYSA-N 1 1 388.251 2.106 20 0 GEADMO CN(CC1C[NH+](C)C1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000657123521 652122231 /nfs/dbraw/zinc/12/22/31/652122231.db2.gz ZSVNQQZINBRRHW-UHFFFAOYSA-N 1 1 381.723 2.426 20 0 GEADMO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000657124215 652122958 /nfs/dbraw/zinc/12/29/58/652122958.db2.gz SBEFAAZEGUAONV-UHFFFAOYSA-N 1 1 391.331 2.420 20 0 GEADMO Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C(F)(F)F)n1 ZINC000746829387 652125839 /nfs/dbraw/zinc/12/58/39/652125839.db2.gz MTKDCMUACOYZDI-SLEUVZQESA-N 1 1 377.432 2.335 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2cccnc2)CC1 ZINC000576560769 652127478 /nfs/dbraw/zinc/12/74/78/652127478.db2.gz USUXSBQEJVVZEJ-UHFFFAOYSA-N 1 1 376.258 2.243 20 0 GEADMO CNS(=O)(=O)CCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000621276567 652141058 /nfs/dbraw/zinc/14/10/58/652141058.db2.gz LUABPPZBZBPXHW-INIZCTEOSA-N 1 1 375.485 2.019 20 0 GEADMO CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1cccc(Br)c1 ZINC000621284673 652142101 /nfs/dbraw/zinc/14/21/01/652142101.db2.gz CVPHKMFQVCYVES-UHFFFAOYSA-N 1 1 396.329 2.398 20 0 GEADMO 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Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000627908066 652442026 /nfs/dbraw/zinc/44/20/26/652442026.db2.gz NWUYMIJBLOKCPS-AWEZNQCLSA-N 1 1 395.301 2.224 20 0 GEADMO O=C(C[N@H+](CCN1CCOCC1)CC1CC1)Nc1ccccc1Br ZINC000661974233 652443799 /nfs/dbraw/zinc/44/37/99/652443799.db2.gz VTKYZYDPFKJNOF-UHFFFAOYSA-N 1 1 396.329 2.432 20 0 GEADMO O=C(C[N@@H+](CCN1CCOCC1)CC1CC1)Nc1ccccc1Br ZINC000661974233 652443806 /nfs/dbraw/zinc/44/38/06/652443806.db2.gz VTKYZYDPFKJNOF-UHFFFAOYSA-N 1 1 396.329 2.432 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCc2cc(Br)ccc21 ZINC000627942188 652444085 /nfs/dbraw/zinc/44/40/85/652444085.db2.gz JQYPJEVIEJQRFO-DQPZFDDXSA-N 1 1 379.298 2.458 20 0 GEADMO O=C(Cc1c(F)ccc(Br)c1F)NC1CC([NH+]2CCOCC2)C1 ZINC000627941803 652444279 /nfs/dbraw/zinc/44/42/79/652444279.db2.gz SWHBXPMHUAEDSQ-UHFFFAOYSA-N 1 1 389.240 2.249 20 0 GEADMO O[C@]1(Cn2ccnn2)CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000582394257 652448653 /nfs/dbraw/zinc/44/86/53/652448653.db2.gz 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CN(C)C(=O)C1(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CCCC1 ZINC000662458861 652462060 /nfs/dbraw/zinc/46/20/60/652462060.db2.gz SJUDCCAGLYXFKK-AWEZNQCLSA-N 1 1 382.302 2.214 20 0 GEADMO Cn1cnnc1[C@H]1CCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662509934 652465271 /nfs/dbraw/zinc/46/52/71/652465271.db2.gz QFURIGIGRNSXIS-SECBINFHSA-N 1 1 382.287 2.220 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)c2cccc(I)c2O)C[N@@H+]1C1CC1 ZINC000755477434 652466280 /nfs/dbraw/zinc/46/62/80/652466280.db2.gz SFVGAWFDMLXZPG-VHSXEESVSA-N 1 1 386.233 2.352 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)c2cccc(I)c2O)C[N@H+]1C1CC1 ZINC000755477434 652466281 /nfs/dbraw/zinc/46/62/81/652466281.db2.gz SFVGAWFDMLXZPG-VHSXEESVSA-N 1 1 386.233 2.352 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCn2c(CC3CC3)nnc2C1)c1ccccc1Br ZINC000662581353 652468854 /nfs/dbraw/zinc/46/88/54/652468854.db2.gz GQZSUXPMKZCABL-MRXNPFEDSA-N 1 1 390.285 2.035 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000628750730 652470007 /nfs/dbraw/zinc/47/00/07/652470007.db2.gz NPNFPUFSDPAPBU-CYBMUJFWSA-N 1 1 392.301 2.492 20 0 GEADMO Cn1nnc2c1C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)CC2 ZINC000582995734 652470200 /nfs/dbraw/zinc/47/02/00/652470200.db2.gz OFNIIYAGRNIFIL-NSHDSACASA-N 1 1 392.301 2.383 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000662713272 652471172 /nfs/dbraw/zinc/47/11/72/652471172.db2.gz OIDDTGSLSZPMPJ-JTQLQIEISA-N 1 1 398.326 2.198 20 0 GEADMO Cc1cc(I)ccc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000583089197 652472266 /nfs/dbraw/zinc/47/22/66/652472266.db2.gz MSTDQNVZVLHSMF-UHFFFAOYSA-N 1 1 387.265 2.176 20 0 GEADMO COc1cc(C[N@H+]2CC[C@H](NC(=S)NCC(F)(F)F)C2)cc(OC)c1 ZINC000755712326 652473087 /nfs/dbraw/zinc/47/30/87/652473087.db2.gz KDCBLTFGMDHJIW-LBPRGKRZSA-N 1 1 377.432 2.305 20 0 GEADMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000583174855 652475125 /nfs/dbraw/zinc/47/51/25/652475125.db2.gz LEIOSYOBFCOBCX-JTQLQIEISA-N 1 1 376.320 2.085 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000583396335 652483103 /nfs/dbraw/zinc/48/31/03/652483103.db2.gz OEXZGVMHWACQLQ-WWGRRREGSA-N 1 1 396.329 2.095 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC000583502073 652487778 /nfs/dbraw/zinc/48/77/78/652487778.db2.gz ZTTXTXGMWXAULZ-DOTOQJQBSA-N 1 1 381.314 2.442 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000583553786 652489715 /nfs/dbraw/zinc/48/97/15/652489715.db2.gz ZAMZPDCJHVBJNX-CYBMUJFWSA-N 1 1 377.913 2.477 20 0 GEADMO CCCNC(=O)C[NH+]1CCC(Nc2nc(C)nc(C)c2Br)CC1 ZINC000663388233 652496559 /nfs/dbraw/zinc/49/65/59/652496559.db2.gz OJGINBIMFVHPIB-UHFFFAOYSA-N 1 1 384.322 2.258 20 0 GEADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583787596 652497034 /nfs/dbraw/zinc/49/70/34/652497034.db2.gz HPGGXNJRJWCXHV-CJNGLKHVSA-N 1 1 390.908 2.428 20 0 GEADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583787596 652497036 /nfs/dbraw/zinc/49/70/36/652497036.db2.gz HPGGXNJRJWCXHV-CJNGLKHVSA-N 1 1 390.908 2.428 20 0 GEADMO C[N@@H+](CC(=O)NCCCNC(=O)c1cccc(Br)c1)C1CCC1 ZINC000629955359 652500119 /nfs/dbraw/zinc/50/01/19/652500119.db2.gz XSJFMPDLCHUNHH-UHFFFAOYSA-N 1 1 382.302 2.170 20 0 GEADMO C[N@@H+](CC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)C1CCC1 ZINC000629984958 652500582 /nfs/dbraw/zinc/50/05/82/652500582.db2.gz RFWZMKNHBVZZDO-UHFFFAOYSA-N 1 1 377.436 2.080 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)c1ccc(Cl)cc1 ZINC000583970590 652504259 /nfs/dbraw/zinc/50/42/59/652504259.db2.gz ROBUSQJUAPEGNK-AWEZNQCLSA-N 1 1 392.859 2.383 20 0 GEADMO Cc1nc(C)c(Br)c(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000663575268 652504365 /nfs/dbraw/zinc/50/43/65/652504365.db2.gz LFGABWLRDFMQKL-HNNXBMFYSA-N 1 1 382.350 2.462 20 0 GEADMO Cn1cc[nH+]c1N1CCN(c2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000584070714 652508113 /nfs/dbraw/zinc/50/81/13/652508113.db2.gz VUYQMWSZVYHWQM-UHFFFAOYSA-N 1 1 395.305 2.477 20 0 GEADMO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(S(N)(=O)=O)c1 ZINC000584159906 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2.207 20 0 GEADMO COc1cc(C[NH2+]Cc2ccncc2Br)ccc1OCC(N)=O ZINC000631054358 652519647 /nfs/dbraw/zinc/51/96/47/652519647.db2.gz WIZDAHHBSRRLRR-UHFFFAOYSA-N 1 1 380.242 2.007 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664082924 652520239 /nfs/dbraw/zinc/52/02/39/652520239.db2.gz MPAUCTNLAWDBQG-GFCCVEGCSA-N 1 1 387.311 2.012 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631119196 652520784 /nfs/dbraw/zinc/52/07/84/652520784.db2.gz MJMZWNKWWUDSSE-LLVKDONJSA-N 1 1 381.420 2.011 20 0 GEADMO C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C[NH+]1CCOCC1 ZINC000631417392 652523773 /nfs/dbraw/zinc/52/37/73/652523773.db2.gz AHBUWXYTRXQTNF-GQAVTEOGSA-N 1 1 393.325 2.419 20 0 GEADMO CC(C)(C)OC(=O)NCc1nc(C(=O)OCC[NH+]2CCSCC2)cs1 ZINC000757927052 652525779 /nfs/dbraw/zinc/52/57/79/652525779.db2.gz AYHWXLCNZPGZAZ-UHFFFAOYSA-N 1 1 387.527 2.373 20 0 GEADMO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC[NH+]1CCSCC1 ZINC000757945760 652526538 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C[N@@H+]1CCN(Cc2cncc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603245 653881058 /nfs/dbraw/zinc/88/10/58/653881058.db2.gz GIULZBYZUQIWRZ-OAHLLOKOSA-N 1 1 399.333 2.485 20 0 GEADMO C[N@H+]1CCN(Cc2cncc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603245 653881060 /nfs/dbraw/zinc/88/10/60/653881060.db2.gz GIULZBYZUQIWRZ-OAHLLOKOSA-N 1 1 399.333 2.485 20 0 GEADMO O=C(CC1OCCO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000793668755 653882076 /nfs/dbraw/zinc/88/20/76/653882076.db2.gz HMCZLQXLVGIRPL-UHFFFAOYSA-N 1 1 383.286 2.293 20 0 GEADMO C[C@H](NC(=O)Cc1c(Cl)cccc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896531762 653882687 /nfs/dbraw/zinc/88/26/87/653882687.db2.gz IKQVFJPQFQUJBO-XHDPSFHLSA-N 1 1 388.737 2.396 20 0 GEADMO C[C@H](NC(=O)Cc1c(Cl)cccc1Br)[C@H]1CN(C)CC[N@@H+]1C ZINC000896531762 653882690 /nfs/dbraw/zinc/88/26/90/653882690.db2.gz IKQVFJPQFQUJBO-XHDPSFHLSA-N 1 1 388.737 2.396 20 0 GEADMO C[C@H](NC(=O)Cc1c(Cl)cccc1Br)[C@H]1CN(C)CC[N@H+]1C ZINC000896531762 653882691 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Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000794403279 653907467 /nfs/dbraw/zinc/90/74/67/653907467.db2.gz HCYYHSMNZIOREG-HNNXBMFYSA-N 1 1 385.291 2.376 20 0 GEADMO c1csc(-c2noc(CCC[NH+]3CCN(Cc4cnsn4)CC3)n2)c1 ZINC000846760498 653908670 /nfs/dbraw/zinc/90/86/70/653908670.db2.gz TUSOYYGDFBRXEC-UHFFFAOYSA-N 1 1 376.511 2.400 20 0 GEADMO CC1(C)C[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000794569600 653911416 /nfs/dbraw/zinc/91/14/16/653911416.db2.gz YBCYITBLIJQUCC-DNQXCXABSA-N 1 1 376.632 2.233 20 0 GEADMO CC1(C)C[S@](=O)CCN1CCCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000794569600 653911422 /nfs/dbraw/zinc/91/14/22/653911422.db2.gz YBCYITBLIJQUCC-DNQXCXABSA-N 1 1 376.632 2.233 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2I)[C@H]1c1ccccc1 ZINC000897240178 653912308 /nfs/dbraw/zinc/91/23/08/653912308.db2.gz AHPHLSZRELAYHI-CHWSQXEVSA-N 1 1 396.232 2.190 20 0 GEADMO O=C(CSc1n[nH]c(=S)s1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794597095 653913304 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GEADMO O[C@@H](C[N@@H+]1CCC[C@@H](N2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000846942521 653914039 /nfs/dbraw/zinc/91/40/39/653914039.db2.gz ZOUVEPLSNHNYLB-PBHICJAKSA-N 1 1 387.293 2.418 20 0 GEADMO O[C@@H](C[N@H+]1CCC[C@@H](N2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000846942521 653914044 /nfs/dbraw/zinc/91/40/44/653914044.db2.gz ZOUVEPLSNHNYLB-PBHICJAKSA-N 1 1 387.293 2.418 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000794641644 653915141 /nfs/dbraw/zinc/91/51/41/653915141.db2.gz GCRRUHHYQPGBFE-LBPRGKRZSA-N 1 1 398.301 2.092 20 0 GEADMO O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847360548 653925917 /nfs/dbraw/zinc/92/59/17/653925917.db2.gz BAJHVTNTUUHRLB-WDMOLILDSA-N 1 1 386.279 2.277 20 0 GEADMO CO[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000847409976 653927415 /nfs/dbraw/zinc/92/74/15/653927415.db2.gz XQFVOKFJKJPISW-ZENOOKHLSA-N 1 1 383.286 2.116 20 0 GEADMO C[N@@H+]1CCCN(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000795059200 653928064 /nfs/dbraw/zinc/92/80/64/653928064.db2.gz CZULEYMQTLXXPQ-UHFFFAOYSA-N 1 1 387.299 2.150 20 0 GEADMO C[N@H+]1CCCN(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000795059200 653928068 /nfs/dbraw/zinc/92/80/68/653928068.db2.gz CZULEYMQTLXXPQ-UHFFFAOYSA-N 1 1 387.299 2.150 20 0 GEADMO Cc1nc(Cl)c(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000847424077 653928353 /nfs/dbraw/zinc/92/83/53/653928353.db2.gz ZMWPIJBCCLNOFE-CQSZACIVSA-N 1 1 387.311 2.369 20 0 GEADMO Cc1[nH]nc(I)c1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000897607617 653930039 /nfs/dbraw/zinc/93/00/39/653930039.db2.gz CQTUHTGLFQDUFU-SNVBAGLBSA-N 1 1 390.269 2.173 20 0 GEADMO CCC[N@H+](C)[C@H](CNC(=S)NCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000795091419 653930006 /nfs/dbraw/zinc/93/00/06/653930006.db2.gz LRPKDGMMJVMPHU-OAHLLOKOSA-N 1 1 391.990 2.232 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=S)NCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000795091419 653930013 /nfs/dbraw/zinc/93/00/13/653930013.db2.gz LRPKDGMMJVMPHU-OAHLLOKOSA-N 1 1 391.990 2.232 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1CS(N)(=O)=O ZINC000897605356 653930157 /nfs/dbraw/zinc/93/01/57/653930157.db2.gz AQMQPTPIDAJQOI-YPMHNXCESA-N 1 1 398.326 2.354 20 0 GEADMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867424468 653931105 /nfs/dbraw/zinc/93/11/05/653931105.db2.gz PMJRHQCUBJPCCL-GFCCVEGCSA-N 1 1 394.722 2.212 20 0 GEADMO O=C(c1nc(C2CC2)ncc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000825493057 653931363 /nfs/dbraw/zinc/93/13/63/653931363.db2.gz RCOWHYLKYPAYCX-UHFFFAOYSA-N 1 1 395.301 2.053 20 0 GEADMO CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3cc(Br)nn3C)C2)n1 ZINC000897703710 653934311 /nfs/dbraw/zinc/93/43/11/653934311.db2.gz MFHSEHXMMWJSDG-LLVKDONJSA-N 1 1 395.305 2.170 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cnc(Cl)c(Br)c1 ZINC000847592906 653936324 /nfs/dbraw/zinc/93/63/24/653936324.db2.gz WMANKJCAQDXHCB-LBPRGKRZSA-N 1 1 390.709 2.464 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Br)n1 ZINC000847608294 653937275 /nfs/dbraw/zinc/93/72/75/653937275.db2.gz SOQDXSYGABXPLC-JSGCOSHPSA-N 1 1 395.301 2.224 20 0 GEADMO O=S(=O)(C1=Cc2cc(Br)ccc2OC1)N1CC[NH+]2CCC1CC2 ZINC000795181849 653937472 /nfs/dbraw/zinc/93/74/72/653937472.db2.gz OSOHSRHZEIOXNS-UHFFFAOYSA-N 1 1 399.310 2.292 20 0 GEADMO Cn1cc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(Br)n1 ZINC000897816598 653938911 /nfs/dbraw/zinc/93/89/11/653938911.db2.gz RAXQCXXDTLZIPI-CYBMUJFWSA-N 1 1 379.258 2.002 20 0 GEADMO C[S@@](=O)CC[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825771243 653940109 /nfs/dbraw/zinc/94/01/09/653940109.db2.gz WGUUVBJCHXXHOQ-JOCHJYFZSA-N 1 1 382.327 2.498 20 0 GEADMO Cn1ncc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1C1CC1 ZINC000897978146 653947278 /nfs/dbraw/zinc/94/72/78/653947278.db2.gz LIWZWBHAPXQUOM-CYBMUJFWSA-N 1 1 376.258 2.108 20 0 GEADMO CC(C)(C)n1cc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000897978949 653947938 /nfs/dbraw/zinc/94/79/38/653947938.db2.gz UOXHNMAWLOFSRO-CYBMUJFWSA-N 1 1 378.274 2.449 20 0 GEADMO 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CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C2 ZINC000920273271 654207410 /nfs/dbraw/zinc/20/74/10/654207410.db2.gz FSCCTMKUWXMKEY-NCOADZHNSA-N 1 1 390.908 2.237 20 0 GEADMO CSc1ccccc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273713 654207922 /nfs/dbraw/zinc/20/79/22/654207922.db2.gz JUUQFJOZVYCMTE-KJWYOANISA-N 1 1 384.567 2.167 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C2 ZINC000920273273 654208197 /nfs/dbraw/zinc/20/81/97/654208197.db2.gz FSCCTMKUWXMKEY-VQHPVUNQSA-N 1 1 390.908 2.237 20 0 GEADMO CC(C)[N@@H+](C)CC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890203049 654208466 /nfs/dbraw/zinc/20/84/66/654208466.db2.gz ZRSSQLIBPMBFAV-UHFFFAOYSA-N 1 1 383.212 2.347 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC000920281800 654208587 /nfs/dbraw/zinc/20/85/87/654208587.db2.gz HIBNPTAPJXQBGS-JHNDHUHGSA-N 1 1 390.908 2.237 20 0 GEADMO C[C@@H](CNC(=O)NCC1SCCS1)[NH+]1CCN(c2ccccc2)CC1 ZINC000851959149 654208898 /nfs/dbraw/zinc/20/88/98/654208898.db2.gz OSQJWUODIZPXIK-HNNXBMFYSA-N 1 1 380.583 2.302 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C2 ZINC000920282593 654209012 /nfs/dbraw/zinc/20/90/12/654209012.db2.gz RUEFGZQTXGWCHU-JHNDHUHGSA-N 1 1 390.908 2.237 20 0 GEADMO NC(=O)[C@](O)(C[N@@H+]1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000852017539 654213088 /nfs/dbraw/zinc/21/30/88/654213088.db2.gz BBEMWJUSSQKCBP-SFHVURJKSA-N 1 1 391.265 2.017 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000852017539 654213093 /nfs/dbraw/zinc/21/30/93/654213093.db2.gz BBEMWJUSSQKCBP-SFHVURJKSA-N 1 1 391.265 2.017 20 0 GEADMO C[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000852088933 654217302 /nfs/dbraw/zinc/21/73/02/654217302.db2.gz IYAPWIJJDBUDAM-YMXBGEKHSA-N 1 1 379.448 2.117 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000852122746 654219354 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C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Br)c1 ZINC000903231007 654230642 /nfs/dbraw/zinc/23/06/42/654230642.db2.gz HXKWHRBCQTXSRP-SNVBAGLBSA-N 1 1 383.333 2.157 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)s1 ZINC000903231628 654230736 /nfs/dbraw/zinc/23/07/36/654230736.db2.gz NUYMGAHAHDKGTN-MRVPVSSYSA-N 1 1 389.362 2.219 20 0 GEADMO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852332243 654232572 /nfs/dbraw/zinc/23/25/72/654232572.db2.gz HCWMYSLSNOHKTG-AWEZNQCLSA-N 1 1 384.322 2.067 20 0 GEADMO O=S(=O)(CC[NH2+][C@H](c1nc(Br)cs1)C1CC1)N1CCCC1 ZINC000903291400 654232828 /nfs/dbraw/zinc/23/28/28/654232828.db2.gz YBDHWYKEVXVVND-LBPRGKRZSA-N 1 1 394.360 2.372 20 0 GEADMO C[N@@H+](CC(=O)N[C@@](C)(CO)c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000890631495 654234558 /nfs/dbraw/zinc/23/45/58/654234558.db2.gz FMRNYPXXOAGKEB-ZBFHGGJFSA-N 1 1 387.343 2.210 20 0 GEADMO C[N@@H+](CC(=O)N[C@@](C)(CO)c1cccc(Br)c1)[C@H]1CCSC1 ZINC000890631492 654234572 /nfs/dbraw/zinc/23/45/72/654234572.db2.gz FMRNYPXXOAGKEB-HOCLYGCPSA-N 1 1 387.343 2.210 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903326808 654234688 /nfs/dbraw/zinc/23/46/88/654234688.db2.gz TVSXUVJGFWSTPT-YPAMNDHTSA-N 1 1 391.313 2.455 20 0 GEADMO Cn1c(Cl)ncc1S(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000832124785 654237587 /nfs/dbraw/zinc/23/75/87/654237587.db2.gz OOJHRDYMURNTCF-UHFFFAOYSA-N 1 1 382.917 2.407 20 0 GEADMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000852431256 654238611 /nfs/dbraw/zinc/23/86/11/654238611.db2.gz QYIDPDCKMXBNPX-OLZOCXBDSA-N 1 1 375.252 2.260 20 0 GEADMO [NH3+][C@@H]1CC[C@H](CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000903434928 654239102 /nfs/dbraw/zinc/23/91/02/654239102.db2.gz MXOFNBFHCAHPFS-QWHCGFSZSA-N 1 1 377.963 2.225 20 0 GEADMO COCCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000921187087 654239310 /nfs/dbraw/zinc/23/93/10/654239310.db2.gz DZOMHBAJUNBSLM-MRXNPFEDSA-N 1 1 384.274 2.142 20 0 GEADMO COCCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000921187087 654239314 /nfs/dbraw/zinc/23/93/14/654239314.db2.gz DZOMHBAJUNBSLM-MRXNPFEDSA-N 1 1 384.274 2.142 20 0 GEADMO C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514090 654245217 /nfs/dbraw/zinc/24/52/17/654245217.db2.gz ADUOPXGLXOJISJ-QAPCUYQASA-N 1 1 383.275 2.332 20 0 GEADMO C[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514090 654245224 /nfs/dbraw/zinc/24/52/24/654245224.db2.gz ADUOPXGLXOJISJ-QAPCUYQASA-N 1 1 383.275 2.332 20 0 GEADMO O[C@H](Cn1cc(CCC[NH+]2CCOCC2)nn1)c1ccc(Br)cc1 ZINC000871619122 654246936 /nfs/dbraw/zinc/24/69/36/654246936.db2.gz JYRCFJWXVYFBQV-QGZVFWFLSA-N 1 1 395.301 2.039 20 0 GEADMO O[C@@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852707999 654255348 /nfs/dbraw/zinc/25/53/48/654255348.db2.gz NXURVCCIPNAHMU-PBHICJAKSA-N 1 1 387.293 2.153 20 0 GEADMO CC(C)[C@@H]([NH2+]Cc1nnc(S(C)(=O)=O)s1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729962 654256533 /nfs/dbraw/zinc/25/65/33/654256533.db2.gz PXVGTPSUUQOWDE-KGLIPLIRSA-N 1 1 389.930 2.443 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C[N@H+]1C1CC1 ZINC000921384328 654257767 /nfs/dbraw/zinc/25/77/67/654257767.db2.gz MSGUULUTSNLQDA-DGCLKSJQSA-N 1 1 382.306 2.059 20 0 GEADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1(C)C ZINC000891006784 654257930 /nfs/dbraw/zinc/25/79/30/654257930.db2.gz VLWPKURGEOBWPY-UHFFFAOYSA-N 1 1 395.301 2.213 20 0 GEADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1(C)C ZINC000891006784 654257936 /nfs/dbraw/zinc/25/79/36/654257936.db2.gz VLWPKURGEOBWPY-UHFFFAOYSA-N 1 1 395.301 2.213 20 0 GEADMO CC(C)N1C(=S)N=NC1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000852805446 654261382 /nfs/dbraw/zinc/26/13/82/654261382.db2.gz ZKXRMVQZHITABC-GFCCVEGCSA-N 1 1 384.303 2.226 20 0 GEADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000903619051 654268495 /nfs/dbraw/zinc/26/84/95/654268495.db2.gz VXXYGKFQLYMFGB-LFPIHBKWSA-N 1 1 388.559 2.292 20 0 GEADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000903619052 654268640 /nfs/dbraw/zinc/26/86/40/654268640.db2.gz VXXYGKFQLYMFGB-SHACYNPGSA-N 1 1 388.559 2.292 20 0 GEADMO O[C@H]1CC[N@H+](C2CCN(C(=S)NCc3ccc(Br)cc3)CC2)C1 ZINC000853043846 654273844 /nfs/dbraw/zinc/27/38/44/654273844.db2.gz PHDYKPMRZDFUPW-INIZCTEOSA-N 1 1 398.370 2.355 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NCCn2cc[nH+]c2C(C)C)ccc1Cl ZINC000921528641 654278598 /nfs/dbraw/zinc/27/85/98/654278598.db2.gz BOKLDKBUCUGNNU-UHFFFAOYSA-N 1 1 385.873 2.425 20 0 GEADMO CN1C(=O)N(C[C@@H]2C[N@H+](C)CCN2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086166 654278685 /nfs/dbraw/zinc/27/86/85/654278685.db2.gz FXLUFKRHDFXCHC-XHDPSFHLSA-N 1 1 385.295 2.174 20 0 GEADMO CN1C(=O)N(C[C@@H]2C[N@@H+](C)CCN2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086166 654278690 /nfs/dbraw/zinc/27/86/90/654278690.db2.gz FXLUFKRHDFXCHC-XHDPSFHLSA-N 1 1 385.295 2.174 20 0 GEADMO COC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1cccc(Br)c1 ZINC000871924476 654280638 /nfs/dbraw/zinc/28/06/38/654280638.db2.gz KSMUNCWEOVRSKR-FZMZJTMJSA-N 1 1 386.290 2.349 20 0 GEADMO CCn1c(Br)c(Br)nc1C[NH2+]CCn1cccn1 ZINC000921579101 654285369 /nfs/dbraw/zinc/28/53/69/654285369.db2.gz PPDDXMBGRQHSKN-UHFFFAOYSA-N 1 1 377.084 2.414 20 0 GEADMO Cc1nc(Br)sc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000832678101 654286847 /nfs/dbraw/zinc/28/68/47/654286847.db2.gz OVVBOGUELFOBCR-SECBINFHSA-N 1 1 376.320 2.131 20 0 GEADMO Cc1nc(Br)sc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000832678101 654286850 /nfs/dbraw/zinc/28/68/50/654286850.db2.gz OVVBOGUELFOBCR-SECBINFHSA-N 1 1 376.320 2.131 20 0 GEADMO Cc1c(C[C@@H](C[NH3+])CN(C)[C@@H](CO)c2cccc(Br)c2)cnn1C ZINC000903898189 654291124 /nfs/dbraw/zinc/29/11/24/654291124.db2.gz LSNOBYSASIHLCL-KSSFIOAISA-N 1 1 395.345 2.274 20 0 GEADMO O=C(N1CCC[C@H]([C@H]2CCCC[N@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545435 654302716 /nfs/dbraw/zinc/30/27/16/654302716.db2.gz FLBCGDAXFTZSES-QWHCGFSZSA-N 1 1 379.448 2.216 20 0 GEADMO S=c1n(CN2CC[NH+]([C@H]3CCOC3)CC2)nc2sc3ccccc3n12 ZINC000853550900 654303060 /nfs/dbraw/zinc/30/30/60/654303060.db2.gz OFLHLRGAJWIJON-ZDUSSCGKSA-N 1 1 375.523 2.444 20 0 GEADMO C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[N@@H+]2CCC3(COC3)C2)C1=O ZINC000853595051 654307287 /nfs/dbraw/zinc/30/72/87/654307287.db2.gz JZSZSFWHRVDXFV-INIZCTEOSA-N 1 1 384.263 2.440 20 0 GEADMO C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[N@H+]2CCC3(COC3)C2)C1=O ZINC000853595051 654307294 /nfs/dbraw/zinc/30/72/94/654307294.db2.gz JZSZSFWHRVDXFV-INIZCTEOSA-N 1 1 384.263 2.440 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853694908 654315535 /nfs/dbraw/zinc/31/55/35/654315535.db2.gz ZWZGPXZDNMYKAX-IUCAKERBSA-N 1 1 388.697 2.265 20 0 GEADMO O[C@H](CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199558 654316496 /nfs/dbraw/zinc/31/64/96/654316496.db2.gz PYMMKDXBEWCKGX-ZMSDIMECSA-N 1 1 375.296 2.186 20 0 GEADMO O[C@H](CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199558 654316501 /nfs/dbraw/zinc/31/65/01/654316501.db2.gz PYMMKDXBEWCKGX-ZMSDIMECSA-N 1 1 375.296 2.186 20 0 GEADMO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000872241540 654318834 /nfs/dbraw/zinc/31/88/34/654318834.db2.gz FJPDEZYJPLVKJR-CYBMUJFWSA-N 1 1 393.175 2.126 20 0 GEADMO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ncc(Br)s1 ZINC000872239873 654319183 /nfs/dbraw/zinc/31/91/83/654319183.db2.gz LXVFCWRBWSSUKY-CYBMUJFWSA-N 1 1 380.308 2.271 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(Br)c[nH]1 ZINC000921767448 654319949 /nfs/dbraw/zinc/31/99/49/654319949.db2.gz RLYKOAYLKQZHJY-LSDHHAIUSA-N 1 1 379.302 2.145 20 0 GEADMO Oc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000891950026 654320091 /nfs/dbraw/zinc/32/00/91/654320091.db2.gz YXSXHIXWTTYSIZ-LLVKDONJSA-N 1 1 378.274 2.467 20 0 GEADMO Oc1cc(Br)cnc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000891950026 654320093 /nfs/dbraw/zinc/32/00/93/654320093.db2.gz YXSXHIXWTTYSIZ-LLVKDONJSA-N 1 1 378.274 2.467 20 0 GEADMO CCOC(=O)[C@H](F)C1C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000834377811 654320736 /nfs/dbraw/zinc/32/07/36/654320736.db2.gz ILYAFEBGQJLGOH-UKRRQHHQSA-N 1 1 390.249 2.022 20 0 GEADMO Cn1nc(Br)c2c1ncnc2N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000804812355 654322217 /nfs/dbraw/zinc/32/22/17/654322217.db2.gz MRWNFYOZWBNNBY-UHFFFAOYSA-N 1 1 387.285 2.446 20 0 GEADMO O=C(NCc1ccc(Br)s1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892006911 654323499 /nfs/dbraw/zinc/32/34/99/654323499.db2.gz ASBGWNMVPGUBJA-STQMWFEESA-N 1 1 388.331 2.251 20 0 GEADMO O=C(NCc1csc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892034682 654326116 /nfs/dbraw/zinc/32/61/16/654326116.db2.gz RIDDTEZABIYWNL-STQMWFEESA-N 1 1 388.331 2.251 20 0 GEADMO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000892046056 654326367 /nfs/dbraw/zinc/32/63/67/654326367.db2.gz LTFUTGIMMNXMLJ-UHFFFAOYSA-N 1 1 396.460 2.184 20 0 GEADMO CO[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000905046708 654328281 /nfs/dbraw/zinc/32/82/81/654328281.db2.gz RHGOLJXFQYJACR-CYBMUJFWSA-N 1 1 377.304 2.037 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1csc(I)n1 ZINC000834476353 654328359 /nfs/dbraw/zinc/32/83/59/654328359.db2.gz WAGQGJDRPIRGPZ-JTQLQIEISA-N 1 1 391.278 2.494 20 0 GEADMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978800 654330605 /nfs/dbraw/zinc/33/06/05/654330605.db2.gz CUAVZWDWPIORCL-HNNXBMFYSA-N 1 1 388.965 2.080 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)nc1C ZINC000804978800 654330609 /nfs/dbraw/zinc/33/06/09/654330609.db2.gz CUAVZWDWPIORCL-HNNXBMFYSA-N 1 1 388.965 2.080 20 0 GEADMO COc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000892159313 654332077 /nfs/dbraw/zinc/33/20/77/654332077.db2.gz ILLCMWJHDDNJND-KDOFPFPSSA-N 1 1 396.329 2.425 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872437386 654335087 /nfs/dbraw/zinc/33/50/87/654335087.db2.gz IJPMMHZQAVHKNW-AQKDONEWSA-N 1 1 381.608 2.475 20 0 GEADMO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834591915 654336661 /nfs/dbraw/zinc/33/66/61/654336661.db2.gz GBOLPVRWCLJTIK-YCPHGPKFSA-N 1 1 383.261 2.397 20 0 GEADMO O=Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c(Br)c1 ZINC000834598198 654337586 /nfs/dbraw/zinc/33/75/86/654337586.db2.gz JTHQJCAXTSAMEG-LSDHHAIUSA-N 1 1 399.260 2.285 20 0 GEADMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872455624 654341158 /nfs/dbraw/zinc/34/11/58/654341158.db2.gz XEQSPILAUUBZIW-ZDUSSCGKSA-N 1 1 385.917 2.330 20 0 GEADMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872455624 654341163 /nfs/dbraw/zinc/34/11/63/654341163.db2.gz XEQSPILAUUBZIW-ZDUSSCGKSA-N 1 1 385.917 2.330 20 0 GEADMO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000921934661 654344274 /nfs/dbraw/zinc/34/42/74/654344274.db2.gz UCVJSLLDZUMOBS-NSHDSACASA-N 1 1 378.336 2.481 20 0 GEADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000805096347 654348797 /nfs/dbraw/zinc/34/87/97/654348797.db2.gz NTHXJDKBIJRWEL-HNNXBMFYSA-N 1 1 387.864 2.464 20 0 GEADMO Oc1cc(Br)cnc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000892543654 654350265 /nfs/dbraw/zinc/35/02/65/654350265.db2.gz NZEOCNKRWBILFT-UHFFFAOYSA-N 1 1 379.258 2.071 20 0 GEADMO Oc1cc(Br)cnc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000892553892 654350948 /nfs/dbraw/zinc/35/09/48/654350948.db2.gz VAAZVQMEFSMEDC-MRXNPFEDSA-N 1 1 392.297 2.059 20 0 GEADMO CC1CCN([C@@H](CNS(=O)(=O)CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000905332463 654351030 /nfs/dbraw/zinc/35/10/30/654351030.db2.gz YJTGSOFTRXIXKS-KRWDZBQOSA-N 1 1 385.599 2.440 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000872482244 654351916 /nfs/dbraw/zinc/35/19/16/654351916.db2.gz MKBBGGQBVQTZNE-GYCJOSAFSA-N 1 1 387.571 2.239 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872482244 654351919 /nfs/dbraw/zinc/35/19/19/654351919.db2.gz MKBBGGQBVQTZNE-GYCJOSAFSA-N 1 1 387.571 2.239 20 0 GEADMO Cc1cc(Br)cn2cc(C[NH2+]Cc3cnc4n3CCOC4)nc12 ZINC000921997510 654353263 /nfs/dbraw/zinc/35/32/63/654353263.db2.gz WTAINFXWAMQHTC-UHFFFAOYSA-N 1 1 376.258 2.422 20 0 GEADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854489312 654364446 /nfs/dbraw/zinc/36/44/46/654364446.db2.gz LOGPAQOWRSFCJD-UHFFFAOYSA-N 1 1 388.354 2.014 20 0 GEADMO CN(CCCNC(=O)c1cnn(C(C)(C)C)c1Br)CC[NH+](C)C ZINC000854489312 654364449 /nfs/dbraw/zinc/36/44/49/654364449.db2.gz LOGPAQOWRSFCJD-UHFFFAOYSA-N 1 1 388.354 2.014 20 0 GEADMO S=C(Nc1ccccc1Cl)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905555430 654365919 /nfs/dbraw/zinc/36/59/19/654365919.db2.gz JJJMFLPZZJASKY-HNNXBMFYSA-N 1 1 382.961 2.423 20 0 GEADMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)CCOCCO ZINC000922110031 654368307 /nfs/dbraw/zinc/36/83/07/654368307.db2.gz VUTCFJRKJGDCJG-UONOGXRCSA-N 1 1 375.296 2.154 20 0 GEADMO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@H+](C)CCOCCO ZINC000922117080 654369034 /nfs/dbraw/zinc/36/90/34/654369034.db2.gz HGEYMICHELDMHA-UHFFFAOYSA-N 1 1 393.709 2.081 20 0 GEADMO Cc1cc(Br)c(C(=O)NCC[N@H+](C)CCOCCO)cc1Cl ZINC000922114057 654369197 /nfs/dbraw/zinc/36/91/97/654369197.db2.gz RCICVTZQPBCRKN-UHFFFAOYSA-N 1 1 393.709 2.081 20 0 GEADMO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)sc1Br ZINC000922288487 654381804 /nfs/dbraw/zinc/38/18/04/654381804.db2.gz QZPWUNNGFZFJOO-NXEZZACHSA-N 1 1 382.349 2.164 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835357048 654383027 /nfs/dbraw/zinc/38/30/27/654383027.db2.gz SFCDGHLHOASDHR-GFCCVEGCSA-N 1 1 385.306 2.328 20 0 GEADMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000893127551 654383970 /nfs/dbraw/zinc/38/39/70/654383970.db2.gz OOKUDNCOJBCZBW-UHFFFAOYSA-N 1 1 382.507 2.138 20 0 GEADMO Cn1nc2c(c1C[NH2+][C@@]1(c3ccc(Br)cc3)C[C@@H](O)C1)COCC2 ZINC000922332264 654384009 /nfs/dbraw/zinc/38/40/09/654384009.db2.gz JVYQVMUIDWUEMX-UJKQEGAGSA-N 1 1 392.297 2.395 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(Br)c1 ZINC000872661778 654386771 /nfs/dbraw/zinc/38/67/71/654386771.db2.gz BXIDDNLTPFARDJ-UONOGXRCSA-N 1 1 389.315 2.315 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1Cl ZINC000872663235 654386779 /nfs/dbraw/zinc/38/67/79/654386779.db2.gz JNPZOPLIVDRCCI-CABCVRRESA-N 1 1 389.880 2.295 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Cl ZINC000872663235 654386782 /nfs/dbraw/zinc/38/67/82/654386782.db2.gz JNPZOPLIVDRCCI-CABCVRRESA-N 1 1 389.880 2.295 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)sc1Br ZINC000872665668 654387636 /nfs/dbraw/zinc/38/76/36/654387636.db2.gz PWYXNLWHIYUTFX-NXEZZACHSA-N 1 1 380.333 2.071 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)sc1Br ZINC000872665668 654387642 /nfs/dbraw/zinc/38/76/42/654387642.db2.gz PWYXNLWHIYUTFX-NXEZZACHSA-N 1 1 380.333 2.071 20 0 GEADMO C[N@@H+](CCCCNC(=O)c1csc(I)n1)C1CC1 ZINC000854900599 654388639 /nfs/dbraw/zinc/38/86/39/654388639.db2.gz QZGPVJIVXBPAFY-UHFFFAOYSA-N 1 1 379.267 2.352 20 0 GEADMO O=C(NCc1c[nH+]c2n1CCCC2)NCC1(n2cc(Br)cn2)CC1 ZINC000922397536 654389873 /nfs/dbraw/zinc/38/98/73/654389873.db2.gz LXBCPAOKDHBEIZ-UHFFFAOYSA-N 1 1 393.289 2.167 20 0 GEADMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3c(Br)cnn3C)C2)[C@H]1C(C)C ZINC000922395400 654389950 /nfs/dbraw/zinc/38/99/50/654389950.db2.gz XFVMLOWZAPDDJL-MWQQHZPXSA-N 1 1 385.350 2.142 20 0 GEADMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3c(Br)cnn3C)C2)[C@H]1C(C)C ZINC000922395400 654389954 /nfs/dbraw/zinc/38/99/54/654389954.db2.gz XFVMLOWZAPDDJL-MWQQHZPXSA-N 1 1 385.350 2.142 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC[N@H+]1C ZINC000893221086 654390307 /nfs/dbraw/zinc/39/03/07/654390307.db2.gz MRDQCJMKQXZGRN-PVUWLOKVSA-N 1 1 384.318 2.439 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH2+]C2CN(c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000922598626 654402751 /nfs/dbraw/zinc/40/27/51/654402751.db2.gz YUZBTRPQDYXPBV-UHFFFAOYSA-N 1 1 391.440 2.393 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000906056752 654410531 /nfs/dbraw/zinc/41/05/31/654410531.db2.gz ACHCQUOPCXUVCQ-LFPIHBKWSA-N 1 1 389.543 2.182 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873023440 654410730 /nfs/dbraw/zinc/41/07/30/654410730.db2.gz YEJOFMIAQSGHPM-UHFFFAOYSA-N 1 1 380.798 2.275 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1cccc(F)c1I)CC1CC1 ZINC000873079018 654413446 /nfs/dbraw/zinc/41/34/46/654413446.db2.gz BRENSHPNSUJMOZ-UHFFFAOYSA-N 1 1 397.253 2.345 20 0 GEADMO COC(=O)c1cc(Br)c(COC(=O)Cn2c[nH+]cc2C)cc1OC ZINC000922889200 654418546 /nfs/dbraw/zinc/41/85/46/654418546.db2.gz UFXPEVZHJHENSM-UHFFFAOYSA-N 1 1 397.225 2.493 20 0 GEADMO CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H]1CC[N@@H+](CC)C1 ZINC000855490467 654421499 /nfs/dbraw/zinc/42/14/99/654421499.db2.gz JTJKKYMIGJIEPS-ZDUSSCGKSA-N 1 1 387.933 2.147 20 0 GEADMO Brc1ccc2ncc(CNC[C@H]3CC[N@@H+]3C3CCOCC3)n2c1 ZINC000922950673 654421651 /nfs/dbraw/zinc/42/16/51/654421651.db2.gz OLVUUTVTSNORTO-OAHLLOKOSA-N 1 1 379.302 2.440 20 0 GEADMO Brc1ccc2ncc(CNC[C@H]3CC[N@H+]3C3CCOCC3)n2c1 ZINC000922950673 654421656 /nfs/dbraw/zinc/42/16/56/654421656.db2.gz OLVUUTVTSNORTO-OAHLLOKOSA-N 1 1 379.302 2.440 20 0 GEADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000906362167 654431010 /nfs/dbraw/zinc/43/10/10/654431010.db2.gz QCCDYAMFPKQIED-LLVKDONJSA-N 1 1 380.286 2.160 20 0 GEADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906379867 654432779 /nfs/dbraw/zinc/43/27/79/654432779.db2.gz ILJHVAVFVIIESV-LLVKDONJSA-N 1 1 377.659 2.313 20 0 GEADMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893987197 654436289 /nfs/dbraw/zinc/43/62/89/654436289.db2.gz OUFDRZXBSHVNLR-ZDUSSCGKSA-N 1 1 386.949 2.371 20 0 GEADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893987197 654436294 /nfs/dbraw/zinc/43/62/94/654436294.db2.gz OUFDRZXBSHVNLR-ZDUSSCGKSA-N 1 1 386.949 2.371 20 0 GEADMO CCOC(=O)c1ncc(Br)c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000894001407 654437318 /nfs/dbraw/zinc/43/73/18/654437318.db2.gz XULLDORHYMLBBS-LLVKDONJSA-N 1 1 383.290 2.336 20 0 GEADMO CCOC(=O)c1ncc(Br)c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000894001407 654437322 /nfs/dbraw/zinc/43/73/22/654437322.db2.gz XULLDORHYMLBBS-LLVKDONJSA-N 1 1 383.290 2.336 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1c(I)cnn1C ZINC000894052891 654442707 /nfs/dbraw/zinc/44/27/07/654442707.db2.gz DKOXZNQYGPHPLB-LBPRGKRZSA-N 1 1 376.286 2.331 20 0 GEADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000923313964 654443230 /nfs/dbraw/zinc/44/32/30/654443230.db2.gz NZMHTWPYMYRWQZ-QWHCGFSZSA-N 1 1 391.269 2.218 20 0 GEADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000923316737 654443617 /nfs/dbraw/zinc/44/36/17/654443617.db2.gz RWPGZWCERYBYQA-UONOGXRCSA-N 1 1 380.286 2.254 20 0 GEADMO C[C@]12CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]1C2(Br)Br ZINC000923385646 654447769 /nfs/dbraw/zinc/44/77/69/654447769.db2.gz FPSYDUDCUXKODW-UTUOFQBUSA-N 1 1 394.151 2.193 20 0 GEADMO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334731 654445437 /nfs/dbraw/zinc/44/54/37/654445437.db2.gz JPEHXUVHDGOPMH-LSDHHAIUSA-N 1 1 375.282 2.402 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906597559 654452293 /nfs/dbraw/zinc/45/22/93/654452293.db2.gz NKDAHFASFXBLSW-SMDDNHRTSA-N 1 1 391.331 2.425 20 0 GEADMO C[C@H](CNCc1c(I)cnn1C)[N@H+]1CCCC[C@@H]1C ZINC000894175778 654452840 /nfs/dbraw/zinc/45/28/40/654452840.db2.gz LONANJAXGHYZIL-NWDGAFQWSA-N 1 1 376.286 2.377 20 0 GEADMO C[C@H](COCC(F)(F)F)[NH2+]Cc1c(I)cnn1C ZINC000894204266 654455700 /nfs/dbraw/zinc/45/57/00/654455700.db2.gz LPZXXWFLHURTRX-SSDOTTSWSA-N 1 1 377.148 2.082 20 0 GEADMO CN(C(=O)c1nscc1I)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000906652271 654456806 /nfs/dbraw/zinc/45/68/06/654456806.db2.gz SPBQZPWCVDJNNX-SECBINFHSA-N 1 1 377.251 2.056 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](CNCc2cn(C)nc2I)C1 ZINC000894241087 654458398 /nfs/dbraw/zinc/45/83/98/654458398.db2.gz GNDNXMVVJIDZDZ-LBPRGKRZSA-N 1 1 376.286 2.235 20 0 GEADMO CO[C@H](C(=O)OCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000923520303 654459106 /nfs/dbraw/zinc/45/91/06/654459106.db2.gz RKYIUJZYTDMMBJ-ZDUSSCGKSA-N 1 1 378.288 2.464 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1cnc(Br)cn1 ZINC000923533046 654463180 /nfs/dbraw/zinc/46/31/80/654463180.db2.gz JBAZSRVHIRTPEP-KBPBESRZSA-N 1 1 382.306 2.397 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cnnn1-c1ccccc1Br ZINC000906710582 654463330 /nfs/dbraw/zinc/46/33/30/654463330.db2.gz OIQVZZMKEXYIQX-CYBMUJFWSA-N 1 1 392.301 2.444 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000906706745 654463425 /nfs/dbraw/zinc/46/34/25/654463425.db2.gz ATGABRLFBGKYOB-AWEZNQCLSA-N 1 1 398.349 2.079 20 0 GEADMO Cn1cc(CN[C@H]2C[N@H+](C)Cc3ccccc32)c(I)n1 ZINC000894366614 654470012 /nfs/dbraw/zinc/47/00/12/654470012.db2.gz BECPUSXEWWIUNB-AWEZNQCLSA-N 1 1 382.249 2.301 20 0 GEADMO Cn1cc(CN[C@H]2C[N@@H+](C)Cc3ccccc32)c(I)n1 ZINC000894366614 654470015 /nfs/dbraw/zinc/47/00/15/654470015.db2.gz BECPUSXEWWIUNB-AWEZNQCLSA-N 1 1 382.249 2.301 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)c2nscc2I)CC[N@H+]1C ZINC000906794283 654472756 /nfs/dbraw/zinc/47/27/56/654472756.db2.gz UWOXYUCWSYYARQ-RKDXNWHRSA-N 1 1 379.267 2.302 20 0 GEADMO Cc1c(Br)cccc1CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254759 654473746 /nfs/dbraw/zinc/47/37/46/654473746.db2.gz ZDGUHLSPTHNBMZ-INIZCTEOSA-N 1 1 381.314 2.358 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000906809620 654474725 /nfs/dbraw/zinc/47/47/25/654474725.db2.gz DYGDQOHKBBGWDR-ZDUSSCGKSA-N 1 1 385.306 2.021 20 0 GEADMO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CC2(CCCOC)CCC2)CC1 ZINC000894427641 654474887 /nfs/dbraw/zinc/47/48/87/654474887.db2.gz GAQITZGITIVDHF-UHFFFAOYSA-N 1 1 375.531 2.026 20 0 GEADMO O=C(NCc1cnc(Cl)s1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000923681488 654475872 /nfs/dbraw/zinc/47/58/72/654475872.db2.gz JHSCGTSWEIXGQB-CQSZACIVSA-N 1 1 380.901 2.363 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000894477003 654479507 /nfs/dbraw/zinc/47/95/07/654479507.db2.gz VYPZUIKGBUSRNX-LLVKDONJSA-N 1 1 385.306 2.370 20 0 GEADMO O=C(NCc1ccc(Br)cn1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000923922972 654488427 /nfs/dbraw/zinc/48/84/27/654488427.db2.gz TZLKRIIXAYXYGB-UONOGXRCSA-N 1 1 385.331 2.223 20 0 GEADMO Cn1cc(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c(Br)n1 ZINC000923924147 654488449 /nfs/dbraw/zinc/48/84/49/654488449.db2.gz MZYDOEYZDLAWDV-CQSZACIVSA-N 1 1 378.274 2.169 20 0 GEADMO Cn1cc(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c(Br)n1 ZINC000923924147 654488451 /nfs/dbraw/zinc/48/84/51/654488451.db2.gz MZYDOEYZDLAWDV-CQSZACIVSA-N 1 1 378.274 2.169 20 0 GEADMO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1nc(Br)nn1C ZINC000894690182 654494528 /nfs/dbraw/zinc/49/45/28/654494528.db2.gz MOFFSYWCDGGLMG-YPMHNXCESA-N 1 1 381.274 2.088 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)[C@@H](C)C1 ZINC000906982669 654495734 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721339119 /nfs/dbraw/zinc/33/91/19/721339119.db2.gz NUOULZHRJKBPOY-FQEVSTJZSA-N 1 1 387.484 2.209 20 0 GEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(F)c[n+]3[O-])C2)C1 ZINC001164776870 721341852 /nfs/dbraw/zinc/34/18/52/721341852.db2.gz DVSZTLFMCRBFHG-FQEVSTJZSA-N 1 1 390.459 2.183 20 0 GEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(F)c[n+]3[O-])C2)C1 ZINC001164776870 721341856 /nfs/dbraw/zinc/34/18/56/721341856.db2.gz DVSZTLFMCRBFHG-FQEVSTJZSA-N 1 1 390.459 2.183 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccccc54)C3)O2)CC1 ZINC001164889739 721384911 /nfs/dbraw/zinc/38/49/11/721384911.db2.gz LVFQEAMOIOJIPQ-PGRDOPGGSA-N 1 1 381.524 2.395 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ncccc54)C3)O2)CC1 ZINC001164891876 721389768 /nfs/dbraw/zinc/38/97/68/721389768.db2.gz RCGAPWLNFPMFTA-PGRDOPGGSA-N 1 1 381.524 2.395 20 0 GEADMO Cc1nc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890879 721393561 /nfs/dbraw/zinc/39/35/61/721393561.db2.gz 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COc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900269 721523670 /nfs/dbraw/zinc/52/36/70/721523670.db2.gz PHDLNMVUUZSONU-OCCSQVGLSA-N 1 1 379.823 2.015 20 0 GEADMO Cn1ccc2c1ncnc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806560 721535505 /nfs/dbraw/zinc/53/55/05/721535505.db2.gz OHTDLJGBTMMUCW-QRVBRYPASA-N 1 1 378.480 2.232 20 0 GEADMO C[C@@H]1C(=O)Nc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164910336 721538868 /nfs/dbraw/zinc/53/88/68/721538868.db2.gz UIEJUGCLTUUNLR-NOLJZWGESA-N 1 1 383.427 2.013 20 0 GEADMO CC(=O)Nc1cccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164802251 721553449 /nfs/dbraw/zinc/55/34/49/721553449.db2.gz HTSFTDHLNSLZHG-WFXMLNOXSA-N 1 1 381.480 2.303 20 0 GEADMO CCOC(=O)c1nccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903091 721557949 /nfs/dbraw/zinc/55/79/49/721557949.db2.gz AFUKSMLZZRQFDZ-WBVHZDCISA-N 1 1 386.427 2.134 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810507 721567945 /nfs/dbraw/zinc/56/79/45/721567945.db2.gz YPAFQYNAIQRRCR-KNKQGSTJSA-N 1 1 394.523 2.340 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810507 721567949 /nfs/dbraw/zinc/56/79/49/721567949.db2.gz YPAFQYNAIQRRCR-KNKQGSTJSA-N 1 1 394.523 2.340 20 0 GEADMO Cn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906120 721586221 /nfs/dbraw/zinc/58/62/21/721586221.db2.gz LNHVSDROOMYJKA-IBGZPJMESA-N 1 1 399.449 2.496 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nccc(Cl)n2)CC1 ZINC001165007849 721731916 /nfs/dbraw/zinc/73/19/16/721731916.db2.gz IELBUWUTVOJBOK-UHFFFAOYSA-N 1 1 387.862 2.198 20 0 GEADMO CN(C)C(=O)CN1CCC2(CCCN2c2ncccc2C[NH+]2CCCC2)CC1 ZINC001165012180 721749736 /nfs/dbraw/zinc/74/97/36/721749736.db2.gz BBUCPXPAGHYDEJ-UHFFFAOYSA-N 1 1 385.556 2.200 20 0 GEADMO c1ccc2c(c1)cnnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911114 721775471 /nfs/dbraw/zinc/77/54/71/721775471.db2.gz FEKZLLMMEKLUJZ-JOCHJYFZSA-N 1 1 391.475 2.133 20 0 GEADMO c1ccc2c(c1)cnnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911114 721775472 /nfs/dbraw/zinc/77/54/72/721775472.db2.gz FEKZLLMMEKLUJZ-JOCHJYFZSA-N 1 1 391.475 2.133 20 0 GEADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164920831 721872679 /nfs/dbraw/zinc/87/26/79/721872679.db2.gz AUNSXGSYQRBUTF-KBPBESRZSA-N 1 1 377.924 2.275 20 0 GEADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164920831 721872680 /nfs/dbraw/zinc/87/26/80/721872680.db2.gz AUNSXGSYQRBUTF-KBPBESRZSA-N 1 1 377.924 2.275 20 0 GEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925267 721877039 /nfs/dbraw/zinc/87/70/39/721877039.db2.gz NGNMAQQNMUIGCO-WOJBJXKFSA-N 1 1 380.540 2.445 20 0 GEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925267 721877040 /nfs/dbraw/zinc/87/70/40/721877040.db2.gz NGNMAQQNMUIGCO-WOJBJXKFSA-N 1 1 380.540 2.445 20 0 GEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925265 721877130 /nfs/dbraw/zinc/87/71/30/721877130.db2.gz NGNMAQQNMUIGCO-VQTJNVASSA-N 1 1 380.540 2.445 20 0 GEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1N1CCCC1 ZINC001164925265 721877131 /nfs/dbraw/zinc/87/71/31/721877131.db2.gz NGNMAQQNMUIGCO-VQTJNVASSA-N 1 1 380.540 2.445 20 0 GEADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2)C1 ZINC001164933541 721878108 /nfs/dbraw/zinc/87/81/08/721878108.db2.gz MRHFYRLTXJJETF-HOJAQTOUSA-N 1 1 385.556 2.168 20 0 GEADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2)C1 ZINC001164933541 721878109 /nfs/dbraw/zinc/87/81/09/721878109.db2.gz MRHFYRLTXJJETF-HOJAQTOUSA-N 1 1 385.556 2.168 20 0 GEADMO C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165036111 721883644 /nfs/dbraw/zinc/88/36/44/721883644.db2.gz JKLYJDITLXLMHW-CYBMUJFWSA-N 1 1 385.537 2.491 20 0 GEADMO 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/nfs/dbraw/zinc/09/82/64/532098264.db2.gz WRHAYIYOPUDJMS-GFCCVEGCSA-N 1 1 387.299 2.093 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000175391332 532101939 /nfs/dbraw/zinc/10/19/39/532101939.db2.gz BHFIJHAUOUKBRZ-HNNXBMFYSA-N 1 1 396.333 2.160 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000175423721 532102811 /nfs/dbraw/zinc/10/28/11/532102811.db2.gz BKAISLCESRZXOC-UHFFFAOYSA-N 1 1 399.333 2.210 20 0 GEADMO C[C@@H]1CCc2c(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)csc2C1 ZINC000123553359 532102861 /nfs/dbraw/zinc/10/28/61/532102861.db2.gz GTXDZWWWFRBVNZ-KGLIPLIRSA-N 1 1 384.567 2.064 20 0 GEADMO CC(C)c1[nH+]ccn1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000123625408 532103913 /nfs/dbraw/zinc/10/39/13/532103913.db2.gz FNGNZINZZWZLLB-AWEZNQCLSA-N 1 1 381.523 2.284 20 0 GEADMO Cc1ncc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000123657274 532105542 /nfs/dbraw/zinc/10/55/42/532105542.db2.gz HUXKLZGXBXBMHJ-ZDUSSCGKSA-N 1 1 381.523 2.323 20 0 GEADMO O=S(=O)(CCN1CC[C@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000175630623 532110446 /nfs/dbraw/zinc/11/04/46/532110446.db2.gz DLOIZYIZTJKXMU-HNNXBMFYSA-N 1 1 387.343 2.393 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000123497353 532099919 /nfs/dbraw/zinc/09/99/19/532099919.db2.gz JDNQNZCPFIVIOT-UHFFFAOYSA-N 1 1 383.290 2.089 20 0 GEADMO COc1nc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)ncc1Br ZINC000175866333 532118297 /nfs/dbraw/zinc/11/82/97/532118297.db2.gz MZRLDOMZTQTGBA-HNNXBMFYSA-N 1 1 393.285 2.103 20 0 GEADMO C[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)[N@@H+]1CCc2sccc2C1 ZINC000175962941 532120615 /nfs/dbraw/zinc/12/06/15/532120615.db2.gz FMECNSFFQWOGGV-ABAIWWIYSA-N 1 1 377.432 2.203 20 0 GEADMO C[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)[N@H+]1CCc2sccc2C1 ZINC000175962941 532120619 /nfs/dbraw/zinc/12/06/19/532120619.db2.gz FMECNSFFQWOGGV-ABAIWWIYSA-N 1 1 377.432 2.203 20 0 GEADMO C[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)[N@@H+]1CCc2sccc2C1 ZINC000175962908 532121045 /nfs/dbraw/zinc/12/10/45/532121045.db2.gz FMECNSFFQWOGGV-IAQYHMDHSA-N 1 1 377.432 2.203 20 0 GEADMO C[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)[N@H+]1CCc2sccc2C1 ZINC000175962908 532121046 /nfs/dbraw/zinc/12/10/46/532121046.db2.gz FMECNSFFQWOGGV-IAQYHMDHSA-N 1 1 377.432 2.203 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000175992008 532122148 /nfs/dbraw/zinc/12/21/48/532122148.db2.gz OOONZVWCXBTGBS-QMMMGPOBSA-N 1 1 392.656 2.248 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000176051684 532123431 /nfs/dbraw/zinc/12/34/31/532123431.db2.gz YHSSQEONCCCEKQ-CJNGLKHVSA-N 1 1 387.933 2.095 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176041795 532123890 /nfs/dbraw/zinc/12/38/90/532123890.db2.gz UPYYQRKBQNCLMR-CYBMUJFWSA-N 1 1 398.301 2.387 20 0 GEADMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@H+]1C ZINC000123957834 532111971 /nfs/dbraw/zinc/11/19/71/532111971.db2.gz GGIQKQHRJTXCNH-STQMWFEESA-N 1 1 387.933 2.097 20 0 GEADMO CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC000123978878 532112211 /nfs/dbraw/zinc/11/22/11/532112211.db2.gz LERMXRAESCBKPA-PHIMTYICSA-N 1 1 377.304 2.219 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000175732749 532112661 /nfs/dbraw/zinc/11/26/61/532112661.db2.gz VPNYTSPUBRUDMH-NSHDSACASA-N 1 1 378.270 2.362 20 0 GEADMO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C[N@H+]1C1CC1 ZINC000124195311 532115429 /nfs/dbraw/zinc/11/54/29/532115429.db2.gz SQNXYZZXFHJFDM-AAEUAGOBSA-N 1 1 390.285 2.385 20 0 GEADMO C[NH+](C)CCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000175822382 532115772 /nfs/dbraw/zinc/11/57/72/532115772.db2.gz PYCJFVXZVFYCPS-CQSZACIVSA-N 1 1 383.901 2.012 20 0 GEADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1cc(Br)cs1 ZINC000124165587 532116215 /nfs/dbraw/zinc/11/62/15/532116215.db2.gz UZZBOGGEPDEBHE-SNVBAGLBSA-N 1 1 388.331 2.055 20 0 GEADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000124165587 532116219 /nfs/dbraw/zinc/11/62/19/532116219.db2.gz UZZBOGGEPDEBHE-SNVBAGLBSA-N 1 1 388.331 2.055 20 0 GEADMO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[NH+](C2CC2)CC1 ZINC000124700223 532127436 /nfs/dbraw/zinc/12/74/36/532127436.db2.gz WPBUKWHFIPYEEJ-UHFFFAOYSA-N 1 1 398.276 2.015 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000176210394 532129787 /nfs/dbraw/zinc/12/97/87/532129787.db2.gz PJLUTMYJOSDBSV-RUZDIDTESA-N 1 1 387.933 2.005 20 0 GEADMO CC[NH+]1CCN(CCCCNC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000124792011 532130014 /nfs/dbraw/zinc/13/00/14/532130014.db2.gz UECUCJLOOHNIAH-UHFFFAOYSA-N 1 1 380.440 2.096 20 0 GEADMO CC[NH+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000124977257 532132066 /nfs/dbraw/zinc/13/20/66/532132066.db2.gz QSHUJNWJGLJCLU-MRXNPFEDSA-N 1 1 382.302 2.181 20 0 GEADMO Cc1cc(Br)cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127066941 532152391 /nfs/dbraw/zinc/15/23/91/532152391.db2.gz VLEPOUIGNJYACH-ZDUSSCGKSA-N 1 1 382.302 2.075 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000176631659 532143811 /nfs/dbraw/zinc/14/38/11/532143811.db2.gz PKJXAMXZXZYFLC-MNOVXSKESA-N 1 1 388.331 2.039 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@@H]1C ZINC000176663698 532144898 /nfs/dbraw/zinc/14/48/98/532144898.db2.gz XKMJCZSCEFIYGY-VHSXEESVSA-N 1 1 391.693 2.335 20 0 GEADMO COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000126275161 532147347 /nfs/dbraw/zinc/14/73/47/532147347.db2.gz TVOARFFVXBHFSC-MNOVXSKESA-N 1 1 389.315 2.361 20 0 GEADMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000126432910 532148289 /nfs/dbraw/zinc/14/82/89/532148289.db2.gz BDMGLDOFOHLBFI-IUODEOHRSA-N 1 1 390.347 2.405 20 0 GEADMO COc1ccc(Br)c(C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000128721814 532166169 /nfs/dbraw/zinc/16/61/69/532166169.db2.gz CTXIOSLTKWIRTK-MRXNPFEDSA-N 1 1 385.302 2.431 20 0 GEADMO Cc1nc(NC(=O)NCCCCN2CC[NH+](C)CC2)ccc1Br ZINC000128764734 532167398 /nfs/dbraw/zinc/16/73/98/532167398.db2.gz DYBASRAVBBORNT-UHFFFAOYSA-N 1 1 384.322 2.302 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000128806390 532168826 /nfs/dbraw/zinc/16/88/26/532168826.db2.gz XAZLJBAEKLBIKS-AWEZNQCLSA-N 1 1 381.318 2.086 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000176939283 532156768 /nfs/dbraw/zinc/15/67/68/532156768.db2.gz HBTBTETUSXRBAV-UHFFFAOYSA-N 1 1 385.349 2.066 20 0 GEADMO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177686236 532178894 /nfs/dbraw/zinc/17/88/94/532178894.db2.gz PWADCGRYYYDFKI-LLVKDONJSA-N 1 1 386.677 2.348 20 0 GEADMO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177746268 532181128 /nfs/dbraw/zinc/18/11/28/532181128.db2.gz OKGFUNGLFJFYJF-NSHDSACASA-N 1 1 386.677 2.348 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176411 532174188 /nfs/dbraw/zinc/17/41/88/532174188.db2.gz FEQNPFSFXSUTHI-OAHLLOKOSA-N 1 1 396.329 2.432 20 0 GEADMO O=C1C[C@H]([N@H+]2CC[C@]3(CCOC3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000129416247 532177151 /nfs/dbraw/zinc/17/71/51/532177151.db2.gz BWFLAGIBUJCIQC-YOEHRIQHSA-N 1 1 379.254 2.193 20 0 GEADMO CCN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000130285954 532191415 /nfs/dbraw/zinc/19/14/15/532191415.db2.gz HCOWYOQIXLYBHG-UHFFFAOYSA-N 1 1 382.302 2.075 20 0 GEADMO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178099266 532192258 /nfs/dbraw/zinc/19/22/58/532192258.db2.gz XIKVENKGGBDNIG-LBPRGKRZSA-N 1 1 386.279 2.113 20 0 GEADMO C[NH+]1CCN(CC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000129885356 532185817 /nfs/dbraw/zinc/18/58/17/532185817.db2.gz OSTJYMHZIAHJAS-UHFFFAOYSA-N 1 1 382.238 2.458 20 0 GEADMO Cc1ccc(Br)c(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000129877763 532186187 /nfs/dbraw/zinc/18/61/87/532186187.db2.gz CQFVUTDPEICYJR-UHFFFAOYSA-N 1 1 397.317 2.432 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000130049445 532189270 /nfs/dbraw/zinc/18/92/70/532189270.db2.gz XQFDLFNFJDIUEI-ZDUSSCGKSA-N 1 1 388.295 2.285 20 0 GEADMO C[C@@H](C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[NH+]1CCSCC1 ZINC000132149111 532210964 /nfs/dbraw/zinc/21/09/64/532210964.db2.gz WEVKJYCTUWVUNZ-LBPRGKRZSA-N 1 1 380.901 2.486 20 0 GEADMO CCS(=O)(=O)NCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000178887959 532215992 /nfs/dbraw/zinc/21/59/92/532215992.db2.gz RFCDTWCXJLHBDL-UHFFFAOYSA-N 1 1 382.313 2.193 20 0 GEADMO CCS(=O)(=O)NCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000178887959 532215993 /nfs/dbraw/zinc/21/59/93/532215993.db2.gz RFCDTWCXJLHBDL-UHFFFAOYSA-N 1 1 382.313 2.193 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)NCC1CCS(=O)(=O)CC1)c1ccccc1Cl ZINC000178960628 532218465 /nfs/dbraw/zinc/21/84/65/532218465.db2.gz KGWNPKRDBUQMKE-MRXNPFEDSA-N 1 1 387.933 2.067 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000131729864 532202236 /nfs/dbraw/zinc/20/22/36/532202236.db2.gz JKUAPDFGMKDFTG-ZFWWWQNUSA-N 1 1 385.302 2.132 20 0 GEADMO CCC[C@@H](NC(=O)c1csc(C[NH3+])n1)C(=O)N1CCc2sccc2C1 ZINC000178489770 532203110 /nfs/dbraw/zinc/20/31/10/532203110.db2.gz QUYOXPWKARVYBV-GFCCVEGCSA-N 1 1 378.523 2.147 20 0 GEADMO O=C(c1ccc(Br)c(O)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179379996 532229288 /nfs/dbraw/zinc/22/92/88/532229288.db2.gz WKIPZLWCTVZABT-UHFFFAOYSA-N 1 1 383.286 2.339 20 0 GEADMO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000179400122 532230621 /nfs/dbraw/zinc/23/06/21/532230621.db2.gz CYBCUAPILCHQKO-QGZVFWFLSA-N 1 1 388.339 2.417 20 0 GEADMO C[C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000133291651 532231577 /nfs/dbraw/zinc/23/15/77/532231577.db2.gz DQVCQIZNVLWPRR-NWDGAFQWSA-N 1 1 393.336 2.287 20 0 GEADMO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179482040 532232519 /nfs/dbraw/zinc/23/25/19/532232519.db2.gz FKIQZLXQEWCMPK-UHFFFAOYSA-N 1 1 395.301 2.260 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)ccc1O ZINC000179514755 532233657 /nfs/dbraw/zinc/23/36/57/532233657.db2.gz WTNDVXJJRAFJCT-MFKMUULPSA-N 1 1 388.249 2.409 20 0 GEADMO C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+]1CCSCC1 ZINC000179153638 532223744 /nfs/dbraw/zinc/22/37/44/532223744.db2.gz MUSNEMNFFDRJLT-CQSZACIVSA-N 1 1 381.929 2.062 20 0 GEADMO NC(=O)[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000179219600 532225185 /nfs/dbraw/zinc/22/51/85/532225185.db2.gz VOPNEQRBWFQPEY-OAHLLOKOSA-N 1 1 394.244 2.134 20 0 GEADMO C[C@@H](CNC(=O)Cc1ccc(Br)c(F)c1)CN1CC[NH+](C)CC1 ZINC000133095345 532226424 /nfs/dbraw/zinc/22/64/24/532226424.db2.gz YONUSIVJPFFEIN-ZDUSSCGKSA-N 1 1 386.309 2.130 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000133861832 532244366 /nfs/dbraw/zinc/24/43/66/532244366.db2.gz QJZVUMVXCRGNGA-CYBMUJFWSA-N 1 1 388.917 2.479 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179805638 532245312 /nfs/dbraw/zinc/24/53/12/532245312.db2.gz WNZHTEVEMTWMDG-CYBMUJFWSA-N 1 1 397.317 2.281 20 0 GEADMO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(Br)c2cccnc12 ZINC000179886329 532248830 /nfs/dbraw/zinc/24/88/30/532248830.db2.gz CNDRANGXANZWRV-UHFFFAOYSA-N 1 1 378.270 2.288 20 0 GEADMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(Br)c2cccnc12 ZINC000179886329 532248834 /nfs/dbraw/zinc/24/88/34/532248834.db2.gz CNDRANGXANZWRV-UHFFFAOYSA-N 1 1 378.270 2.288 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000134047138 532248840 /nfs/dbraw/zinc/24/88/40/532248840.db2.gz ALDYBFQAPUIVRF-ZDUSSCGKSA-N 1 1 382.302 2.496 20 0 GEADMO O=C1CNC(=O)N1CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000134095554 532249876 /nfs/dbraw/zinc/24/98/76/532249876.db2.gz IGIBSOMOGLEDKV-HNNXBMFYSA-N 1 1 378.226 2.273 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2c(c(Br)c1)OCO2 ZINC000179608986 532237797 /nfs/dbraw/zinc/23/77/97/532237797.db2.gz DEGIUKOLFCDVFB-CYBMUJFWSA-N 1 1 399.285 2.145 20 0 GEADMO COc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000134613189 532259431 /nfs/dbraw/zinc/25/94/31/532259431.db2.gz CJUYWLVQXRYZKE-LLVKDONJSA-N 1 1 390.347 2.133 20 0 GEADMO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135414554 532272270 /nfs/dbraw/zinc/27/22/70/532272270.db2.gz UMZBHMUHLRCQGE-UHFFFAOYSA-N 1 1 384.933 2.240 20 0 GEADMO O=C(CCCC[NH+]1CCOCC1)NCCNc1cccc(Br)c1 ZINC000180349495 532268953 /nfs/dbraw/zinc/26/89/53/532268953.db2.gz UVDGKUGQBHMOOZ-UHFFFAOYSA-N 1 1 384.318 2.480 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccncc1I ZINC000135263574 532269349 /nfs/dbraw/zinc/26/93/49/532269349.db2.gz FLLULPHOPGWCHW-NWDGAFQWSA-N 1 1 385.249 2.385 20 0 GEADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135523263 532276121 /nfs/dbraw/zinc/27/61/21/532276121.db2.gz IXKVMSAOASTVSV-IRXDYDNUSA-N 1 1 384.929 2.384 20 0 GEADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135523263 532276123 /nfs/dbraw/zinc/27/61/23/532276123.db2.gz IXKVMSAOASTVSV-IRXDYDNUSA-N 1 1 384.929 2.384 20 0 GEADMO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000180612556 532276216 /nfs/dbraw/zinc/27/62/16/532276216.db2.gz JKHXDEHCDIGONE-MRXNPFEDSA-N 1 1 388.295 2.008 20 0 GEADMO COc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC(F)F ZINC000180628471 532276299 /nfs/dbraw/zinc/27/62/99/532276299.db2.gz SNKKPDZEFPYLBT-UHFFFAOYSA-N 1 1 378.441 2.152 20 0 GEADMO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000137206970 532289514 /nfs/dbraw/zinc/28/95/14/532289514.db2.gz XPPGYHKKDHTTST-MRXNPFEDSA-N 1 1 397.313 2.494 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1nc2c(s1)CCCC2 ZINC000180743970 532279648 /nfs/dbraw/zinc/27/96/48/532279648.db2.gz HROHVHPZBFRKRK-KGLIPLIRSA-N 1 1 387.571 2.161 20 0 GEADMO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180767557 532280354 /nfs/dbraw/zinc/28/03/54/532280354.db2.gz RZZJDFMFGDLLCC-SKDRFNHKSA-N 1 1 382.379 2.043 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000180826227 532282102 /nfs/dbraw/zinc/28/21/02/532282102.db2.gz DSKHTKNBZMUUIO-CYBMUJFWSA-N 1 1 383.286 2.087 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000180826227 532282104 /nfs/dbraw/zinc/28/21/04/532282104.db2.gz DSKHTKNBZMUUIO-CYBMUJFWSA-N 1 1 383.286 2.087 20 0 GEADMO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000180940440 532286634 /nfs/dbraw/zinc/28/66/34/532286634.db2.gz XZWZGLSTGVHWBC-SFHVURJKSA-N 1 1 384.362 2.440 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)c1cccc(Br)c1 ZINC000180940440 532286637 /nfs/dbraw/zinc/28/66/37/532286637.db2.gz XZWZGLSTGVHWBC-SFHVURJKSA-N 1 1 384.362 2.440 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000135378224 532272691 /nfs/dbraw/zinc/27/26/91/532272691.db2.gz FCXFSEJZXAYQAI-ABAIWWIYSA-N 1 1 399.285 2.022 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151242715 532308306 /nfs/dbraw/zinc/30/83/06/532308306.db2.gz NPXOKTUKPYPWSY-CJNGLKHVSA-N 1 1 396.329 2.499 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151242715 532308307 /nfs/dbraw/zinc/30/83/07/532308307.db2.gz NPXOKTUKPYPWSY-CJNGLKHVSA-N 1 1 396.329 2.499 20 0 GEADMO O=C1[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181251770 532294590 /nfs/dbraw/zinc/29/45/90/532294590.db2.gz CEUVIKJRRBDRMZ-QMTHXVAHSA-N 1 1 377.293 2.266 20 0 GEADMO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141683442 532295325 /nfs/dbraw/zinc/29/53/25/532295325.db2.gz PDPLOSOUYOGPOZ-CYBMUJFWSA-N 1 1 376.400 2.290 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000181333373 532296096 /nfs/dbraw/zinc/29/60/96/532296096.db2.gz IXBXTIFRFLVJTF-GFCCVEGCSA-N 1 1 395.257 2.103 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181396454 532297272 /nfs/dbraw/zinc/29/72/72/532297272.db2.gz KZDRQWOQYXKVAF-DOMZBBRYSA-N 1 1 393.285 2.123 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2ccccc2Br)cn1 ZINC000181417852 532298174 /nfs/dbraw/zinc/29/81/74/532298174.db2.gz KTLJZRGNXGGWRY-FYCOFBDGSA-N 1 1 375.270 2.369 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000181476057 532299547 /nfs/dbraw/zinc/29/95/47/532299547.db2.gz PTAGAJUVFWRIAR-KRWDZBQOSA-N 1 1 380.535 2.410 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000182031698 532308589 /nfs/dbraw/zinc/30/85/89/532308589.db2.gz KPCHPYBHEUUSQE-LBPRGKRZSA-N 1 1 399.285 2.007 20 0 GEADMO C[NH+]1CCC(N2CCC(NC(=O)c3ccncc3Br)CC2)CC1 ZINC000151175897 532307869 /nfs/dbraw/zinc/30/78/69/532307869.db2.gz MSYBBYOPDTWCGS-UHFFFAOYSA-N 1 1 381.318 2.133 20 0 GEADMO COC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000183379923 532324675 /nfs/dbraw/zinc/32/46/75/532324675.db2.gz VVMUSBCPYDWLIM-WFASDCNBSA-N 1 1 391.461 2.138 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434374 532325359 /nfs/dbraw/zinc/32/53/59/532325359.db2.gz MLMALGSBYQTOLD-MRVPVSSYSA-N 1 1 377.080 2.288 20 0 GEADMO CO[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000182078101 532308890 /nfs/dbraw/zinc/30/88/90/532308890.db2.gz NNLGJOMZLZKXLR-LBPRGKRZSA-N 1 1 388.249 2.084 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C[C@H](O)c2ccccc2Br)[C@H](C)C1 ZINC000182110929 532309713 /nfs/dbraw/zinc/30/97/13/532309713.db2.gz BRPRHARTOGXJON-CJNGLKHVSA-N 1 1 385.302 2.052 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cnc1Br ZINC000182667730 532316597 /nfs/dbraw/zinc/31/65/97/532316597.db2.gz MHXKXPWIICYNMN-GFCCVEGCSA-N 1 1 395.257 2.103 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182753481 532317057 /nfs/dbraw/zinc/31/70/57/532317057.db2.gz FVNXKBXSFMYNNS-AWEZNQCLSA-N 1 1 397.317 2.472 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1cccc(Br)c1 ZINC000182823033 532318214 /nfs/dbraw/zinc/31/82/14/532318214.db2.gz GAGGJJHGCTYJOM-INIZCTEOSA-N 1 1 399.333 2.271 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cnc1Br ZINC000182838730 532318725 /nfs/dbraw/zinc/31/87/25/532318725.db2.gz RFEHLHCUHGWSRH-TZMCWYRMSA-N 1 1 395.301 2.034 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000183047947 532321085 /nfs/dbraw/zinc/32/10/85/532321085.db2.gz ZUFDOJFFTLXWHK-KBXCAEBGSA-N 1 1 381.519 2.202 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185230984 532337359 /nfs/dbraw/zinc/33/73/59/532337359.db2.gz UUCUOEYCXDYFEB-UHFFFAOYSA-N 1 1 389.315 2.099 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)cs1 ZINC000185592593 532337986 /nfs/dbraw/zinc/33/79/86/532337986.db2.gz FKHVXOBJSRGVML-LBPRGKRZSA-N 1 1 389.363 2.336 20 0 GEADMO C[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000186052863 532339682 /nfs/dbraw/zinc/33/96/82/532339682.db2.gz RODWEMWNTUQHAU-LBPRGKRZSA-N 1 1 379.302 2.183 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccc(Br)o1 ZINC000186139770 532339924 /nfs/dbraw/zinc/33/99/24/532339924.db2.gz PSKUECOXPOURNP-ZDUSSCGKSA-N 1 1 387.322 2.210 20 0 GEADMO C[NH+](C)CCNC(=O)c1cccc(CNCc2cncc(Br)c2)c1 ZINC000186618052 532341465 /nfs/dbraw/zinc/34/14/65/532341465.db2.gz UKCKRKCUXWDPOO-UHFFFAOYSA-N 1 1 391.313 2.425 20 0 GEADMO Cc1nc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1Br ZINC000186779772 532341871 /nfs/dbraw/zinc/34/18/71/532341871.db2.gz CZVDETWMCSISSO-LLVKDONJSA-N 1 1 385.306 2.461 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1(CO)CC1 ZINC000186806528 532341974 /nfs/dbraw/zinc/34/19/74/532341974.db2.gz REXPPCCPHLMGNN-NSHDSACASA-N 1 1 388.249 2.323 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC1(CO)CC1 ZINC000186806528 532341975 /nfs/dbraw/zinc/34/19/75/532341975.db2.gz REXPPCCPHLMGNN-NSHDSACASA-N 1 1 388.249 2.323 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000186848323 532342182 /nfs/dbraw/zinc/34/21/82/532342182.db2.gz MWCXHNODJQCOLC-CHWSQXEVSA-N 1 1 387.293 2.292 20 0 GEADMO O=C(C[N@H+]1CCSC2(CCOCC2)C1)NCCOc1ccc(Cl)cc1 ZINC000186839343 532342226 /nfs/dbraw/zinc/34/22/26/532342226.db2.gz GDHGBIVONVZCSO-UHFFFAOYSA-N 1 1 384.929 2.433 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000186954230 532342867 /nfs/dbraw/zinc/34/28/67/532342867.db2.gz MFMGJUZJFIUDSF-HSMVNMDESA-N 1 1 375.296 2.330 20 0 GEADMO O[C@H](C[N@@H+]1CCC[C@@H]1CN1CCOCC1)c1ccc(F)c(Br)c1 ZINC000187087121 532343057 /nfs/dbraw/zinc/34/30/57/532343057.db2.gz QPYCUZIXVQWOKP-RHSMWYFYSA-N 1 1 387.293 2.418 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H]1CN1CCOCC1)c1ccc(F)c(Br)c1 ZINC000187087121 532343058 /nfs/dbraw/zinc/34/30/58/532343058.db2.gz QPYCUZIXVQWOKP-RHSMWYFYSA-N 1 1 387.293 2.418 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187144366 532343365 /nfs/dbraw/zinc/34/33/65/532343365.db2.gz YTZUOZMLTPTVLY-CQSZACIVSA-N 1 1 391.331 2.147 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000183922208 532330081 /nfs/dbraw/zinc/33/00/81/532330081.db2.gz XRPYZIAAMQDJIJ-UHFFFAOYSA-N 1 1 395.297 2.412 20 0 GEADMO COc1ccccc1CNC(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183913822 532330098 /nfs/dbraw/zinc/33/00/98/532330098.db2.gz SGZJJDZJOPQFGM-INIZCTEOSA-N 1 1 393.281 2.397 20 0 GEADMO CC[N@@H+](CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000184634777 532333752 /nfs/dbraw/zinc/33/37/52/532333752.db2.gz UOZZRSXRHTYOTG-MRXNPFEDSA-N 1 1 394.313 2.463 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000184669084 532334234 /nfs/dbraw/zinc/33/42/34/532334234.db2.gz IBSNLCFAFUTDDM-LLVKDONJSA-N 1 1 398.301 2.304 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NCc1cc(Cl)ccc1OC(F)F ZINC000187241397 532343621 /nfs/dbraw/zinc/34/36/21/532343621.db2.gz UCBOELXRHOPHSK-UHFFFAOYSA-N 1 1 377.819 2.463 20 0 GEADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)c[nH]1 ZINC000188131542 532346719 /nfs/dbraw/zinc/34/67/19/532346719.db2.gz BQAMNMNLTCYGAE-GOSISDBHSA-N 1 1 392.297 2.486 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cc1ccc(F)cc1Br ZINC000188171296 532346979 /nfs/dbraw/zinc/34/69/79/532346979.db2.gz CXQXGVFDRUKBSR-UHFFFAOYSA-N 1 1 386.309 2.227 20 0 GEADMO O=C(Cc1ccc(F)cc1Br)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000188254895 532347626 /nfs/dbraw/zinc/34/76/26/532347626.db2.gz WYYUSTFCMKCXLG-OAHLLOKOSA-N 1 1 387.293 2.484 20 0 GEADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Br)cc2N)CC1 ZINC000188397935 532348017 /nfs/dbraw/zinc/34/80/17/532348017.db2.gz UIVWJQBAYVIQKQ-CYBMUJFWSA-N 1 1 383.334 2.035 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC)c(Br)c2)CC1 ZINC000188576369 532348722 /nfs/dbraw/zinc/34/87/22/532348722.db2.gz HICIZBKJTHYYDZ-UHFFFAOYSA-N 1 1 398.301 2.341 20 0 GEADMO C[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188672837 532348988 /nfs/dbraw/zinc/34/89/88/532348988.db2.gz GSYGYIWXDICGBM-JTQLQIEISA-N 1 1 390.709 2.415 20 0 GEADMO C[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188672837 532348989 /nfs/dbraw/zinc/34/89/89/532348989.db2.gz GSYGYIWXDICGBM-JTQLQIEISA-N 1 1 390.709 2.415 20 0 GEADMO C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@H+]1CC(C)(C)O ZINC000188679874 532349024 /nfs/dbraw/zinc/34/90/24/532349024.db2.gz GLTNXWXFVSYJLI-LBPRGKRZSA-N 1 1 387.293 2.434 20 0 GEADMO O=S(=O)(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccco1 ZINC000188677225 532349034 /nfs/dbraw/zinc/34/90/34/532349034.db2.gz FSJLXWJRKZKHTC-UHFFFAOYSA-N 1 1 383.901 2.424 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188656395 532349068 /nfs/dbraw/zinc/34/90/68/532349068.db2.gz GYWTXEBLQVXUML-LLVKDONJSA-N 1 1 377.436 2.080 20 0 GEADMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000188695334 532349134 /nfs/dbraw/zinc/34/91/34/532349134.db2.gz KCDDDOJIFUFGJR-LLVKDONJSA-N 1 1 395.301 2.243 20 0 GEADMO NC(=O)c1coc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000188763336 532349548 /nfs/dbraw/zinc/34/95/48/532349548.db2.gz CMQVTEVIGMFGLN-UHFFFAOYSA-N 1 1 394.269 2.267 20 0 GEADMO C[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@@H+]1CCO ZINC000188774259 532349596 /nfs/dbraw/zinc/34/95/96/532349596.db2.gz OQCLHKCAKOCLAQ-CQSZACIVSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@H+]1CCO ZINC000188774259 532349597 /nfs/dbraw/zinc/34/95/97/532349597.db2.gz OQCLHKCAKOCLAQ-CQSZACIVSA-N 1 1 385.302 2.133 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000189283316 532351618 /nfs/dbraw/zinc/35/16/18/532351618.db2.gz AJQCRUZFGVYNKE-LBPRGKRZSA-N 1 1 388.306 2.396 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000189343549 532351828 /nfs/dbraw/zinc/35/18/28/532351828.db2.gz CEVVZIOCWXRQRF-LLVKDONJSA-N 1 1 379.810 2.296 20 0 GEADMO Cc1cccc(I)c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189365365 532351925 /nfs/dbraw/zinc/35/19/25/532351925.db2.gz NLYBZKVMOONDDA-UHFFFAOYSA-N 1 1 388.249 2.052 20 0 GEADMO CCCN1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CC1=O ZINC000189400013 532352080 /nfs/dbraw/zinc/35/20/80/532352080.db2.gz ZZPCYAATWJYADA-OAHLLOKOSA-N 1 1 385.302 2.133 20 0 GEADMO CCCN1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CC1=O ZINC000189400013 532352081 /nfs/dbraw/zinc/35/20/81/532352081.db2.gz ZZPCYAATWJYADA-OAHLLOKOSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000189417487 532352125 /nfs/dbraw/zinc/35/21/25/532352125.db2.gz JMGSCIJDYQRYRI-ZDUSSCGKSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000189491234 532352455 /nfs/dbraw/zinc/35/24/55/532352455.db2.gz XXGFYXJGEWPXRU-LBPRGKRZSA-N 1 1 381.933 2.405 20 0 GEADMO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000189536473 532352654 /nfs/dbraw/zinc/35/26/54/532352654.db2.gz CGAOWNGJZDTGPO-ZDUSSCGKSA-N 1 1 391.331 2.038 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000189944010 532354218 /nfs/dbraw/zinc/35/42/18/532354218.db2.gz KDLXICBIGBQSCL-LLVKDONJSA-N 1 1 388.536 2.486 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000190439827 532356186 /nfs/dbraw/zinc/35/61/86/532356186.db2.gz UIAAYLCWNKIDEF-CYBMUJFWSA-N 1 1 376.906 2.080 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000190439827 532356187 /nfs/dbraw/zinc/35/61/87/532356187.db2.gz UIAAYLCWNKIDEF-CYBMUJFWSA-N 1 1 376.906 2.080 20 0 GEADMO C[C@H](O)C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)CO ZINC000190831487 532358168 /nfs/dbraw/zinc/35/81/68/532358168.db2.gz QOMZFITWDHOSPM-IUCAKERBSA-N 1 1 376.276 2.124 20 0 GEADMO C[C@H](O)C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)CO ZINC000190831487 532358169 /nfs/dbraw/zinc/35/81/69/532358169.db2.gz QOMZFITWDHOSPM-IUCAKERBSA-N 1 1 376.276 2.124 20 0 GEADMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191033349 532359301 /nfs/dbraw/zinc/35/93/01/532359301.db2.gz JOESEEOMCABWLG-UHFFFAOYSA-N 1 1 375.296 2.425 20 0 GEADMO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1cccc(I)c1 ZINC000191138197 532359822 /nfs/dbraw/zinc/35/98/22/532359822.db2.gz VUMFDFVDXBRHNS-QWRGUYRKSA-N 1 1 388.249 2.463 20 0 GEADMO C[C@H](C[S@](C)=O)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187412187 532344261 /nfs/dbraw/zinc/34/42/61/532344261.db2.gz WMPPRQQZYRCNQH-XPZKFQLMSA-N 1 1 379.448 2.374 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)Nc1cccc(I)c1 ZINC000187432804 532344394 /nfs/dbraw/zinc/34/43/94/532344394.db2.gz NWFAUZBGBMGMHS-UHFFFAOYSA-N 1 1 389.237 2.135 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187540561 532344689 /nfs/dbraw/zinc/34/46/89/532344689.db2.gz DCUQTYRLNDAECK-UHFFFAOYSA-N 1 1 397.317 2.398 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000187599111 532344976 /nfs/dbraw/zinc/34/49/76/532344976.db2.gz MHTQMULZVHNTSL-IYBDPMFKSA-N 1 1 375.579 2.257 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000187664243 532345151 /nfs/dbraw/zinc/34/51/51/532345151.db2.gz JQLGZMBIUHHMBY-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000187664243 532345152 /nfs/dbraw/zinc/34/51/52/532345152.db2.gz JQLGZMBIUHHMBY-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1CCO ZINC000187670435 532345160 /nfs/dbraw/zinc/34/51/60/532345160.db2.gz SBOSTVCEFWRBMK-CQSZACIVSA-N 1 1 391.313 2.405 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1Br ZINC000187714815 532345331 /nfs/dbraw/zinc/34/53/31/532345331.db2.gz LEHCRICDAHVHOP-UHFFFAOYSA-N 1 1 398.301 2.339 20 0 GEADMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)CCCO1 ZINC000278037579 532372191 /nfs/dbraw/zinc/37/21/91/532372191.db2.gz XHGXNJSHXYOUJZ-ZDUSSCGKSA-N 1 1 380.432 2.485 20 0 GEADMO CC[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@@H](C)OC ZINC000463420683 532373391 /nfs/dbraw/zinc/37/33/91/532373391.db2.gz VHVGUMUJVYVIGW-CYBMUJFWSA-N 1 1 389.327 2.394 20 0 GEADMO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000463457901 532374674 /nfs/dbraw/zinc/37/46/74/532374674.db2.gz WXQLTRIZTJFTOO-HUUCEWRRSA-N 1 1 384.249 2.471 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCN(C)CC1 ZINC000294668270 532375293 /nfs/dbraw/zinc/37/52/93/532375293.db2.gz DFTMFENXRGFMFR-GFCCVEGCSA-N 1 1 384.318 2.146 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000425216192 532375563 /nfs/dbraw/zinc/37/55/63/532375563.db2.gz PUIHISJSFKGJCR-IINYFYTJSA-N 1 1 377.279 2.303 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000557878643 532377372 /nfs/dbraw/zinc/37/73/72/532377372.db2.gz APUZLPIMUNETBJ-UHFFFAOYSA-N 1 1 394.260 2.495 20 0 GEADMO Cc1cnc(N[C@@H](C)CCN2CC[NH+](C)CC2)c(I)c1 ZINC000425239589 532377602 /nfs/dbraw/zinc/37/76/02/532377602.db2.gz KWEKIKOFDRAVPC-ZDUSSCGKSA-N 1 1 388.297 2.433 20 0 GEADMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3cc(Cl)cc(Cl)c3c2=O)C[C@@H](C)O1 ZINC000647611812 532377868 /nfs/dbraw/zinc/37/78/68/532377868.db2.gz NOURWIZMJBRWLI-NQBHXWOUSA-N 1 1 386.279 2.173 20 0 GEADMO NC(=O)CC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191615164 532361581 /nfs/dbraw/zinc/36/15/81/532361581.db2.gz XFJRSVVSOMCAHK-UHFFFAOYSA-N 1 1 396.329 2.373 20 0 GEADMO Cc1cc(C[NH+]2CCC(N(C)C(=O)NC[C@@H]3CSCCS3)CC2)on1 ZINC000371896527 532362149 /nfs/dbraw/zinc/36/21/49/532362149.db2.gz WFOXYODGKCNALF-MRXNPFEDSA-N 1 1 384.571 2.437 20 0 GEADMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696687 532362411 /nfs/dbraw/zinc/36/24/11/532362411.db2.gz QFNCQTJNPNYKFL-CYBMUJFWSA-N 1 1 384.318 2.100 20 0 GEADMO Cc1c(Br)cccc1CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000191704983 532363586 /nfs/dbraw/zinc/36/35/86/532363586.db2.gz QMLKMHQVCCETLQ-CQSZACIVSA-N 1 1 382.346 2.300 20 0 GEADMO CCCN(C(=O)C(=O)NCc1cc(Br)cs1)[C@H]1CC[N@@H+](C)C1 ZINC000646994528 532363742 /nfs/dbraw/zinc/36/37/42/532363742.db2.gz LQQMXUALCBLGLL-LBPRGKRZSA-N 1 1 388.331 2.070 20 0 GEADMO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589929966 532364585 /nfs/dbraw/zinc/36/45/85/532364585.db2.gz PFNVNRCCHKDPAI-YPMHNXCESA-N 1 1 380.491 2.013 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000621718165 532366753 /nfs/dbraw/zinc/36/67/53/532366753.db2.gz AIRYSYRSSHUSQM-CQSZACIVSA-N 1 1 384.929 2.494 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1C ZINC000677181510 532367446 /nfs/dbraw/zinc/36/74/46/532367446.db2.gz AJMVKCIDRVALCS-UONOGXRCSA-N 1 1 394.313 2.355 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1C ZINC000677217302 532368267 /nfs/dbraw/zinc/36/82/67/532368267.db2.gz CAJVUCWWDMYZFG-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1C ZINC000677217302 532368270 /nfs/dbraw/zinc/36/82/70/532368270.db2.gz CAJVUCWWDMYZFG-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190424 532368297 /nfs/dbraw/zinc/36/82/97/532368297.db2.gz DANVZYOAKHQJPD-JSGCOSHPSA-N 1 1 399.285 2.436 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000677196743 532368275 /nfs/dbraw/zinc/36/82/75/532368275.db2.gz VEMQFXWDYWFXPQ-CJNGLKHVSA-N 1 1 381.929 2.408 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000677219177 532368293 /nfs/dbraw/zinc/36/82/93/532368293.db2.gz XQVBYBYSGDXFGS-JTQLQIEISA-N 1 1 375.803 2.433 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000677219177 532368298 /nfs/dbraw/zinc/36/82/98/532368298.db2.gz XQVBYBYSGDXFGS-JTQLQIEISA-N 1 1 375.803 2.433 20 0 GEADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190424 532368303 /nfs/dbraw/zinc/36/83/03/532368303.db2.gz DANVZYOAKHQJPD-JSGCOSHPSA-N 1 1 399.285 2.436 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425181626 532368904 /nfs/dbraw/zinc/36/89/04/532368904.db2.gz YGQQOKCKILWFQD-UHFFFAOYSA-N 1 1 387.977 2.170 20 0 GEADMO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cnn3C)cn2)CCO1 ZINC000278414108 532378804 /nfs/dbraw/zinc/37/88/04/532378804.db2.gz PPDGUOASMCHYDQ-LBPRGKRZSA-N 1 1 380.290 2.093 20 0 GEADMO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000516110880 532379801 /nfs/dbraw/zinc/37/98/01/532379801.db2.gz AHSPRPGXCYBOII-HNNXBMFYSA-N 1 1 396.310 2.397 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278418169 532380148 /nfs/dbraw/zinc/38/01/48/532380148.db2.gz QFNLOPQEUZNGTJ-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278418169 532380153 /nfs/dbraw/zinc/38/01/53/532380153.db2.gz QFNLOPQEUZNGTJ-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO O=C(CCCOc1ccccc1Br)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647707003 532380292 /nfs/dbraw/zinc/38/02/92/532380292.db2.gz UWHVVNUUJAMFDO-CABCVRRESA-N 1 1 397.313 2.276 20 0 GEADMO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647709285 532380836 /nfs/dbraw/zinc/38/08/36/532380836.db2.gz UQCRVSMWXMAVDK-KGLIPLIRSA-N 1 1 392.297 2.140 20 0 GEADMO Cn1nc(Br)cc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000192057485 532381218 /nfs/dbraw/zinc/38/12/18/532381218.db2.gz SAJVXHRRIVPIBP-UHFFFAOYSA-N 1 1 377.286 2.183 20 0 GEADMO CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707623 532381649 /nfs/dbraw/zinc/38/16/49/532381649.db2.gz AURBWDZLHSPYTD-CVEARBPZSA-N 1 1 381.314 2.394 20 0 GEADMO O=C1[C@@H]([NH+]2CCC3(CC2)OCCO3)CCN1c1cccc(Br)c1 ZINC000192060753 532382609 /nfs/dbraw/zinc/38/26/09/532382609.db2.gz ZKEPAFASPLJWHI-HNNXBMFYSA-N 1 1 381.270 2.393 20 0 GEADMO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192071663 532383017 /nfs/dbraw/zinc/38/30/17/532383017.db2.gz BQOIELNRPWPWFK-RHSMWYFYSA-N 1 1 394.313 2.403 20 0 GEADMO CC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192071663 532383021 /nfs/dbraw/zinc/38/30/21/532383021.db2.gz BQOIELNRPWPWFK-RHSMWYFYSA-N 1 1 394.313 2.403 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1OCC(F)F)c1cccs1 ZINC000647891293 532383079 /nfs/dbraw/zinc/38/30/79/532383079.db2.gz VKWJQWFYQIDWME-NSHDSACASA-N 1 1 391.465 2.368 20 0 GEADMO C[C@@H](CNS(=O)(=O)c1cccnc1OCC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000647895969 532383622 /nfs/dbraw/zinc/38/36/22/532383622.db2.gz QIRIUFSXSBJXGE-OLZOCXBDSA-N 1 1 377.457 2.124 20 0 GEADMO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000677885078 532383752 /nfs/dbraw/zinc/38/37/52/532383752.db2.gz XIULIZFWJAJCOS-IAGOWNOFSA-N 1 1 396.329 2.162 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C[C@H]1C ZINC000463798729 532383941 /nfs/dbraw/zinc/38/39/41/532383941.db2.gz UUNCNTIBVMSWCS-NXEZZACHSA-N 1 1 378.420 2.432 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Br)nn2C)[C@H](C)C1 ZINC000192125808 532387718 /nfs/dbraw/zinc/38/77/18/532387718.db2.gz AWICCXPLJGKNNJ-CHWSQXEVSA-N 1 1 387.322 2.049 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000677961098 532388865 /nfs/dbraw/zinc/38/88/65/532388865.db2.gz XTTOKLZVFHWWTM-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000677961098 532388866 /nfs/dbraw/zinc/38/88/66/532388866.db2.gz XTTOKLZVFHWWTM-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000558208911 532388931 /nfs/dbraw/zinc/38/89/31/532388931.db2.gz JPPFRXXJMFIXCO-IUODEOHRSA-N 1 1 382.302 2.006 20 0 GEADMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1)C1CC1 ZINC000558425021 532390569 /nfs/dbraw/zinc/39/05/69/532390569.db2.gz MMHCXUHYOZEQHT-XJKSGUPXSA-N 1 1 385.555 2.288 20 0 GEADMO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1)C1CC1 ZINC000558425021 532390574 /nfs/dbraw/zinc/39/05/74/532390574.db2.gz MMHCXUHYOZEQHT-XJKSGUPXSA-N 1 1 385.555 2.288 20 0 GEADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ncc(Br)cn1 ZINC000558457871 532392111 /nfs/dbraw/zinc/39/21/11/532392111.db2.gz KKZWAASMOXLWOV-SNVBAGLBSA-N 1 1 380.246 2.314 20 0 GEADMO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000516836562 532392742 /nfs/dbraw/zinc/39/27/42/532392742.db2.gz DIDWAOYVGAYZCH-JKSUJKDBSA-N 1 1 392.297 2.297 20 0 GEADMO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000516836562 532392748 /nfs/dbraw/zinc/39/27/48/532392748.db2.gz DIDWAOYVGAYZCH-JKSUJKDBSA-N 1 1 392.297 2.297 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000372492179 532393245 /nfs/dbraw/zinc/39/32/45/532393245.db2.gz DHTURFZXXXSGTM-OAHLLOKOSA-N 1 1 397.313 2.230 20 0 GEADMO Cn1ncc(Br)c1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000294986094 532394116 /nfs/dbraw/zinc/39/41/16/532394116.db2.gz YPSICRUJHGSJHS-UHFFFAOYSA-N 1 1 393.285 2.310 20 0 GEADMO C[NH+](C)CCN1CCC(CNC(=O)Cc2sccc2Br)CC1 ZINC000295024127 532398119 /nfs/dbraw/zinc/39/81/19/532398119.db2.gz ZUFKREVQSZRECY-UHFFFAOYSA-N 1 1 388.375 2.443 20 0 GEADMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000295011387 532396587 /nfs/dbraw/zinc/39/65/87/532396587.db2.gz JMFIIVRJINVFDW-NSHDSACASA-N 1 1 378.420 2.010 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000372555704 532396866 /nfs/dbraw/zinc/39/68/66/532396866.db2.gz TXEMZKIONFYWGO-UHFFFAOYSA-N 1 1 384.318 2.166 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Br)c3)[C@H]2C1 ZINC000295036615 532397185 /nfs/dbraw/zinc/39/71/85/532397185.db2.gz ACEOPJSSTZUTEK-SKDRFNHKSA-N 1 1 394.722 2.212 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Br)c3)[C@H]2C1 ZINC000295036615 532397193 /nfs/dbraw/zinc/39/71/93/532397193.db2.gz ACEOPJSSTZUTEK-SKDRFNHKSA-N 1 1 394.722 2.212 20 0 GEADMO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678628261 532399535 /nfs/dbraw/zinc/39/95/35/532399535.db2.gz HSCRKRVJYBOKSQ-LSDHHAIUSA-N 1 1 375.296 2.140 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc(Br)cnc2OC)C[C@@H]1C ZINC000624632335 532400620 /nfs/dbraw/zinc/40/06/20/532400620.db2.gz QBLREHIVFMIIAH-RYUDHWBXSA-N 1 1 385.306 2.477 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1Br ZINC000425832392 532399085 /nfs/dbraw/zinc/39/90/85/532399085.db2.gz FRIUKJAZYNBELK-DABQJJPHSA-N 1 1 380.286 2.364 20 0 GEADMO COc1cc(Br)c(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000678628175 532399072 /nfs/dbraw/zinc/39/90/72/532399072.db2.gz ZYEMYPMZXZVQSD-AWEZNQCLSA-N 1 1 385.302 2.373 20 0 GEADMO COC(=O)CC[N@H+](CCCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000192328169 532403287 /nfs/dbraw/zinc/40/32/87/532403287.db2.gz BBGRQNRYCVRVRE-UHFFFAOYSA-N 1 1 392.315 2.249 20 0 GEADMO COC(=O)CC[N@@H+](CCCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000192328169 532403292 /nfs/dbraw/zinc/40/32/92/532403292.db2.gz BBGRQNRYCVRVRE-UHFFFAOYSA-N 1 1 392.315 2.249 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccnc2OCC(F)F)[C@@H](C)C1 ZINC000625016329 532403497 /nfs/dbraw/zinc/40/34/97/532403497.db2.gz LUFWLMOZEKXSAS-QWHCGFSZSA-N 1 1 377.457 2.076 20 0 GEADMO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccc(Br)cc1 ZINC000559385918 532401705 /nfs/dbraw/zinc/40/17/05/532401705.db2.gz XIZHKMYPJFZSAM-IVMMDQJWSA-N 1 1 394.313 2.179 20 0 GEADMO O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CC[NH+](CCO)CC1 ZINC000192535359 532404093 /nfs/dbraw/zinc/40/40/93/532404093.db2.gz SMSCJRTVOLLOHB-UHFFFAOYSA-N 1 1 379.913 2.066 20 0 GEADMO O=C(C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)NCCc1cccc(Cl)c1Cl ZINC000464797387 532404509 /nfs/dbraw/zinc/40/45/09/532404509.db2.gz FJZMTMXBNBMUMA-SFHVURJKSA-N 1 1 384.307 2.254 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000517070872 532404652 /nfs/dbraw/zinc/40/46/52/532404652.db2.gz LDVHPVFWRNUFNM-LBPRGKRZSA-N 1 1 393.289 2.493 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000464793528 532405428 /nfs/dbraw/zinc/40/54/28/532405428.db2.gz OECOXCWEMBFPMN-AWEZNQCLSA-N 1 1 389.359 2.496 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464802470 532407262 /nfs/dbraw/zinc/40/72/62/532407262.db2.gz RGWFIAVKHMIIBS-SJKOYZFVSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464802470 532407268 /nfs/dbraw/zinc/40/72/68/532407268.db2.gz RGWFIAVKHMIIBS-SJKOYZFVSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000679689933 532407295 /nfs/dbraw/zinc/40/72/95/532407295.db2.gz ITYYFJLGUYBFLF-HIFRSBDPSA-N 1 1 376.444 2.376 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372753901 532406642 /nfs/dbraw/zinc/40/66/42/532406642.db2.gz WWDGHMVJFKGUPR-OAHLLOKOSA-N 1 1 395.345 2.393 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372753901 532406649 /nfs/dbraw/zinc/40/66/49/532406649.db2.gz WWDGHMVJFKGUPR-OAHLLOKOSA-N 1 1 395.345 2.393 20 0 GEADMO CC(C)(C[NH2+]Cc1ccc(F)cc1I)S(C)(=O)=O ZINC000591356086 532410250 /nfs/dbraw/zinc/41/02/50/532410250.db2.gz BGNFRMWXFNREIQ-UHFFFAOYSA-N 1 1 385.242 2.343 20 0 GEADMO COc1cc(Br)ccc1C[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000679749697 532408490 /nfs/dbraw/zinc/40/84/90/532408490.db2.gz FYGGTQWVSYPTNI-ABAIWWIYSA-N 1 1 393.285 2.475 20 0 GEADMO CCc1nc(C)c(NC(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)s1 ZINC000426456644 532408704 /nfs/dbraw/zinc/40/87/04/532408704.db2.gz FYFIATAGTZHZKP-UHFFFAOYSA-N 1 1 380.436 2.343 20 0 GEADMO CCc1nc(C)c(NC(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)s1 ZINC000426456644 532408711 /nfs/dbraw/zinc/40/87/11/532408711.db2.gz FYFIATAGTZHZKP-UHFFFAOYSA-N 1 1 380.436 2.343 20 0 GEADMO COc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000679749700 532408929 /nfs/dbraw/zinc/40/89/29/532408929.db2.gz FYGGTQWVSYPTNI-XHDPSFHLSA-N 1 1 393.285 2.475 20 0 GEADMO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000517391403 532414608 /nfs/dbraw/zinc/41/46/08/532414608.db2.gz MRGXEPYKEZYEGW-ZDUSSCGKSA-N 1 1 382.302 2.027 20 0 GEADMO COc1cc(Br)c(CN(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)c(OC)c1 ZINC000295169299 532413545 /nfs/dbraw/zinc/41/35/45/532413545.db2.gz UBOWEKPMXQIUFA-WBVHZDCISA-N 1 1 385.302 2.371 20 0 GEADMO COc1cc(Br)c(CN(C)[C@@H]2CC[N@H+]3CCO[C@H]2C3)c(OC)c1 ZINC000295169299 532413551 /nfs/dbraw/zinc/41/35/51/532413551.db2.gz UBOWEKPMXQIUFA-WBVHZDCISA-N 1 1 385.302 2.371 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cnc2sc(C)cn2c1=O)CCC(F)(F)F ZINC000427212299 532416073 /nfs/dbraw/zinc/41/60/73/532416073.db2.gz KPNZIOROTNJHOR-UHFFFAOYSA-N 1 1 376.404 2.069 20 0 GEADMO C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000649200210 532416416 /nfs/dbraw/zinc/41/64/16/532416416.db2.gz GKHRVVDXKJDTJT-ZBEGNZNMSA-N 1 1 378.270 2.446 20 0 GEADMO C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000649200210 532416424 /nfs/dbraw/zinc/41/64/24/532416424.db2.gz GKHRVVDXKJDTJT-ZBEGNZNMSA-N 1 1 378.270 2.446 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193039822 532418722 /nfs/dbraw/zinc/41/87/22/532418722.db2.gz BNVCVUYPWJQUJP-GASCZTMLSA-N 1 1 395.345 2.475 20 0 GEADMO COc1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1O ZINC000680649436 532418883 /nfs/dbraw/zinc/41/88/83/532418883.db2.gz BLZBXNJJPREVKG-OAHLLOKOSA-N 1 1 398.345 2.375 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000280941159 532417794 /nfs/dbraw/zinc/41/77/94/532417794.db2.gz ISUXTYMBMMRQSQ-UHFFFAOYSA-N 1 1 384.267 2.026 20 0 GEADMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270431 532419066 /nfs/dbraw/zinc/41/90/66/532419066.db2.gz UMQVEBFWXSYYJS-DTWKUNHWSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270431 532419069 /nfs/dbraw/zinc/41/90/69/532419069.db2.gz UMQVEBFWXSYYJS-DTWKUNHWSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281142464 532421123 /nfs/dbraw/zinc/42/11/23/532421123.db2.gz ONGZWEULOSGCBO-LLVKDONJSA-N 1 1 390.347 2.231 20 0 GEADMO C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000560538290 532419823 /nfs/dbraw/zinc/41/98/23/532419823.db2.gz VWBXDYGONHHVPE-VNQPRFMTSA-N 1 1 389.924 2.220 20 0 GEADMO C[N@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000560538290 532419827 /nfs/dbraw/zinc/41/98/27/532419827.db2.gz VWBXDYGONHHVPE-VNQPRFMTSA-N 1 1 389.924 2.220 20 0 GEADMO CC(=O)N1CCN(C(=O)C[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000649645725 532419975 /nfs/dbraw/zinc/41/99/75/532419975.db2.gz DVZCMUXQFBIURG-UHFFFAOYSA-N 1 1 394.313 2.109 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCC[N@H+]1C ZINC000427297660 532420133 /nfs/dbraw/zinc/42/01/33/532420133.db2.gz VQCVXKATFYMMNN-KCJUWKMLSA-N 1 1 390.228 2.265 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000193352608 532422450 /nfs/dbraw/zinc/42/24/50/532422450.db2.gz XGFCMVOKJFPSMQ-UHFFFAOYSA-N 1 1 394.273 2.193 20 0 GEADMO Cn1cc(CC[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)nn1 ZINC000625390182 532422795 /nfs/dbraw/zinc/42/27/95/532422795.db2.gz QNPHYIYRKJCBLF-UHFFFAOYSA-N 1 1 382.281 2.077 20 0 GEADMO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000517647313 532421681 /nfs/dbraw/zinc/42/16/81/532421681.db2.gz CGVDOQIUQVREGP-AWEZNQCLSA-N 1 1 395.297 2.458 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000681157899 532422128 /nfs/dbraw/zinc/42/21/28/532422128.db2.gz NHDCSKRSMPVZHE-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000681157899 532422136 /nfs/dbraw/zinc/42/21/36/532422136.db2.gz NHDCSKRSMPVZHE-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000681157900 532422149 /nfs/dbraw/zinc/42/21/49/532422149.db2.gz NHDCSKRSMPVZHE-CQSZACIVSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000681157900 532422157 /nfs/dbraw/zinc/42/21/57/532422157.db2.gz NHDCSKRSMPVZHE-CQSZACIVSA-N 1 1 391.331 2.147 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cnc2c(c1)NC(=O)CS2)CCC(F)(F)F ZINC000427439287 532424266 /nfs/dbraw/zinc/42/42/66/532424266.db2.gz PBLFCAHXSFHNJM-UHFFFAOYSA-N 1 1 376.404 2.130 20 0 GEADMO Cc1c(Br)cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(=O)n1C ZINC000373004184 532424779 /nfs/dbraw/zinc/42/47/79/532424779.db2.gz BUTZKJIWQDKDEH-DOMZBBRYSA-N 1 1 382.302 2.013 20 0 GEADMO CN(CC[N@@H+](C)Cc1cc(O)ccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000625452863 532428643 /nfs/dbraw/zinc/42/86/43/532428643.db2.gz BWRPSTPZSHYETP-UHFFFAOYSA-N 1 1 383.901 2.261 20 0 GEADMO 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Cc1ncsc1CCS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000295712366 532470539 /nfs/dbraw/zinc/47/05/39/532470539.db2.gz URILHFHCXZMKFD-UHFFFAOYSA-N 1 1 377.495 2.003 20 0 GEADMO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282483274 532471082 /nfs/dbraw/zinc/47/10/82/532471082.db2.gz MMGUFEDYARJNEF-GFCCVEGCSA-N 1 1 383.290 2.412 20 0 GEADMO C[C@@H](c1ccsc1)[NH+]1CCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000195247445 532472934 /nfs/dbraw/zinc/47/29/34/532472934.db2.gz GWCXGAUZVGNZBK-AAEUAGOBSA-N 1 1 375.416 2.117 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000195481045 532477987 /nfs/dbraw/zinc/47/79/87/532477987.db2.gz AQBNPAFDKJYWFY-UHFFFAOYSA-N 1 1 398.301 2.196 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)COCC(C)C)c1 ZINC000295814123 532479004 /nfs/dbraw/zinc/47/90/04/532479004.db2.gz BLLUDQOPBMKYFX-DYVFJYSZSA-N 1 1 390.318 2.456 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)COCC(C)C)c1 ZINC000295814123 532479010 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CN(C)c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000519850287 532482213 /nfs/dbraw/zinc/48/22/13/532482213.db2.gz RAFFWZFEESZBAR-INIZCTEOSA-N 1 1 382.917 2.382 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)CCOc1cccc(I)c1 ZINC000468958002 532482263 /nfs/dbraw/zinc/48/22/63/532482263.db2.gz NMADAPCBYQVNBE-CYBMUJFWSA-N 1 1 388.249 2.271 20 0 GEADMO O=C(CCCCOc1ccc(Br)cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174271 532482851 /nfs/dbraw/zinc/48/28/51/532482851.db2.gz NHEGSKRIHANASR-OAHLLOKOSA-N 1 1 385.302 2.181 20 0 GEADMO O[C@@H](CN1CCOCC1)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000519903731 532484219 /nfs/dbraw/zinc/48/42/19/532484219.db2.gz WFZWZSWQRAIQEK-INIZCTEOSA-N 1 1 387.293 2.246 20 0 GEADMO O[C@@H](CN1CCOCC1)C[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000519903731 532484229 /nfs/dbraw/zinc/48/42/29/532484229.db2.gz WFZWZSWQRAIQEK-INIZCTEOSA-N 1 1 387.293 2.246 20 0 GEADMO Cn1ncc(Cl)c1S(=O)(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429907044 532484306 /nfs/dbraw/zinc/48/43/06/532484306.db2.gz GPIVFVIAWFZCNE-MRXNPFEDSA-N 1 1 382.917 2.262 20 0 GEADMO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000429943341 532486436 /nfs/dbraw/zinc/48/64/36/532486436.db2.gz LWXOLZWKFYVTPE-CQSZACIVSA-N 1 1 378.274 2.799 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000374059535 532486875 /nfs/dbraw/zinc/48/68/75/532486875.db2.gz RERGFRCNGTVNEE-BOFPYLFWSA-N 1 1 393.325 2.178 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2O)C1 ZINC000225595092 532487873 /nfs/dbraw/zinc/48/78/73/532487873.db2.gz MHXYQSLUOSARKE-NSHDSACASA-N 1 1 388.249 2.457 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000520312876 532488984 /nfs/dbraw/zinc/48/89/84/532488984.db2.gz ZMZQLQVFZIAFRU-UHFFFAOYSA-N 1 1 394.317 2.083 20 0 GEADMO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000562993882 532492475 /nfs/dbraw/zinc/49/24/75/532492475.db2.gz QRQAVHIRVQYPIO-GDBMZVCRSA-N 1 1 390.355 2.206 20 0 GEADMO C[C@@H](NC(=O)CC(F)(F)C[NH3+])c1cc2c(cc1Br)OCCO2 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GEADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(SC)nc(SC)n2)CC1 ZINC000520428084 532494146 /nfs/dbraw/zinc/49/41/46/532494146.db2.gz KGEKASBNOZBVLT-UHFFFAOYSA-N 1 1 383.587 2.301 20 0 GEADMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000429370205 532475179 /nfs/dbraw/zinc/47/51/79/532475179.db2.gz DMIPGYGVRBMYJL-VXGBXAGGSA-N 1 1 382.309 2.100 20 0 GEADMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000429370205 532475186 /nfs/dbraw/zinc/47/51/86/532475186.db2.gz DMIPGYGVRBMYJL-VXGBXAGGSA-N 1 1 382.309 2.100 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000593925009 532502457 /nfs/dbraw/zinc/50/24/57/532502457.db2.gz GZPKDWLDKVIRQJ-OAHLLOKOSA-N 1 1 381.270 2.062 20 0 GEADMO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1cccc(I)c1 ZINC000431023179 532502682 /nfs/dbraw/zinc/50/26/82/532502682.db2.gz QATNHPCHEPTTAI-UHFFFAOYSA-N 1 1 399.276 2.305 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@H+]1C ZINC000469465507 532503230 /nfs/dbraw/zinc/50/32/30/532503230.db2.gz WKTFRSOTPBBOFL-OSMZGAPFSA-N 1 1 380.286 2.474 20 0 GEADMO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000629916268 532504141 /nfs/dbraw/zinc/50/41/41/532504141.db2.gz VHWJYZPCXWVXGK-ZDUSSCGKSA-N 1 1 383.279 2.284 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1Br ZINC000469577601 532506080 /nfs/dbraw/zinc/50/60/80/532506080.db2.gz AWDGDGXWBZNMPV-CQSZACIVSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1Br ZINC000469577601 532506084 /nfs/dbraw/zinc/50/60/84/532506084.db2.gz AWDGDGXWBZNMPV-CQSZACIVSA-N 1 1 382.302 2.495 20 0 GEADMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594460896 532507648 /nfs/dbraw/zinc/50/76/48/532507648.db2.gz BBVDXMNSTFMQGT-LBPRGKRZSA-N 1 1 392.880 2.371 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594460896 532507654 /nfs/dbraw/zinc/50/76/54/532507654.db2.gz BBVDXMNSTFMQGT-LBPRGKRZSA-N 1 1 392.880 2.371 20 0 GEADMO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000296229854 532508542 /nfs/dbraw/zinc/50/85/42/532508542.db2.gz KNGDAAALGPANMR-UKRRQHHQSA-N 1 1 385.555 2.138 20 0 GEADMO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000296229854 532508547 /nfs/dbraw/zinc/50/85/47/532508547.db2.gz KNGDAAALGPANMR-UKRRQHHQSA-N 1 1 385.555 2.138 20 0 GEADMO CC[C@H](C[N@H+](C)CC(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469743534 532509977 /nfs/dbraw/zinc/50/99/77/532509977.db2.gz CWNPGCRKOZLUFL-LLVKDONJSA-N 1 1 377.268 2.372 20 0 GEADMO CC[C@H](C[N@@H+](C)CC(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469743534 532509983 /nfs/dbraw/zinc/50/99/83/532509983.db2.gz CWNPGCRKOZLUFL-LLVKDONJSA-N 1 1 377.268 2.372 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCC[N@H+]1C ZINC000469763628 532511204 /nfs/dbraw/zinc/51/12/04/532511204.db2.gz KOTZXRQSIZGCLM-SWHYSGLUSA-N 1 1 380.286 2.474 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCn1cc(Br)ccc1=O ZINC000563864300 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C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)CC1 ZINC000632552033 532625103 /nfs/dbraw/zinc/62/51/03/532625103.db2.gz FYKQKASHLHYIJK-NSHDSACASA-N 1 1 378.420 2.056 20 0 GEADMO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1Br ZINC000376716595 532626113 /nfs/dbraw/zinc/62/61/13/532626113.db2.gz GXYQIMANFIDSNI-BXUZGUMPSA-N 1 1 395.301 2.367 20 0 GEADMO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1Br ZINC000376716597 532626376 /nfs/dbraw/zinc/62/63/76/532626376.db2.gz GXYQIMANFIDSNI-RISCZKNCSA-N 1 1 395.301 2.367 20 0 GEADMO C[S@@](=O)c1ccc(CC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000436135513 532626563 /nfs/dbraw/zinc/62/65/63/532626563.db2.gz QSDKABCUHQHYLQ-RUZDIDTESA-N 1 1 376.547 2.415 20 0 GEADMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000632597602 532627028 /nfs/dbraw/zinc/62/70/28/532627028.db2.gz XWSBRAHSVFBXLA-OAHLLOKOSA-N 1 1 380.501 2.328 20 0 GEADMO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000376758738 532627363 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Cn1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)n1 ZINC000632612444 532631643 /nfs/dbraw/zinc/63/16/43/532631643.db2.gz NMIRIXZSWQIYKQ-ZDUSSCGKSA-N 1 1 376.404 2.020 20 0 GEADMO O=C(NCCc1c(Cl)cccc1Cl)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000284931351 532633174 /nfs/dbraw/zinc/63/31/74/532633174.db2.gz DMNCLFFHVVUNKE-LBPRGKRZSA-N 1 1 384.307 2.253 20 0 GEADMO COCCC[N@@H+]1Cc2ccc(N3C(=O)[C@H](CCSC)NC3=S)cc2C1 ZINC000263676375 532633622 /nfs/dbraw/zinc/63/36/22/532633622.db2.gz LIMXYNGQTOIWJV-INIZCTEOSA-N 1 1 379.551 2.382 20 0 GEADMO COCCC[N@H+]1Cc2ccc(N3C(=O)[C@H](CCSC)NC3=S)cc2C1 ZINC000263676375 532633627 /nfs/dbraw/zinc/63/36/27/532633627.db2.gz LIMXYNGQTOIWJV-INIZCTEOSA-N 1 1 379.551 2.382 20 0 GEADMO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000566973468 532634400 /nfs/dbraw/zinc/63/44/00/532634400.db2.gz YYYRJXVXASGCAQ-CJNGLKHVSA-N 1 1 375.897 2.316 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1nc(C(F)(F)F)cs1 ZINC000298259747 532636702 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CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCCSCC2)cc1 ZINC000270546324 532799309 /nfs/dbraw/zinc/79/93/09/532799309.db2.gz IEXCTSIZCLIQOB-AWEZNQCLSA-N 1 1 385.555 2.139 20 0 GEADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCCSCC2)cc1 ZINC000270546324 532799312 /nfs/dbraw/zinc/79/93/12/532799312.db2.gz IEXCTSIZCLIQOB-AWEZNQCLSA-N 1 1 385.555 2.139 20 0 GEADMO COC(=O)C1(CS(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CCC1 ZINC000462073796 532800042 /nfs/dbraw/zinc/80/00/42/532800042.db2.gz MDWGLQUDJZKLOJ-HNNXBMFYSA-N 1 1 388.917 2.205 20 0 GEADMO CO[C@H]1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)[N@H+](C)C1 ZINC000328982728 532801105 /nfs/dbraw/zinc/80/11/05/532801105.db2.gz SEMUGHXZEPIZSX-KKUMJFAQSA-N 1 1 396.285 2.008 20 0 GEADMO CO[C@H]1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)[N@@H+](C)C1 ZINC000328982728 532801111 /nfs/dbraw/zinc/80/11/11/532801111.db2.gz SEMUGHXZEPIZSX-KKUMJFAQSA-N 1 1 396.285 2.008 20 0 GEADMO Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000270816467 532801743 /nfs/dbraw/zinc/80/17/43/532801743.db2.gz QHRJCTZMUDAUJA-LBPRGKRZSA-N 1 1 378.274 2.428 20 0 GEADMO Cn1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000270816467 532801749 /nfs/dbraw/zinc/80/17/49/532801749.db2.gz QHRJCTZMUDAUJA-LBPRGKRZSA-N 1 1 378.274 2.428 20 0 GEADMO Cc1ccc(Br)c(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000270821642 532802294 /nfs/dbraw/zinc/80/22/94/532802294.db2.gz OJOKCSMWARMXRR-UHFFFAOYSA-N 1 1 387.303 2.036 20 0 GEADMO CC[NH+](CC)CC[C@H](CO)NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000551942338 532802391 /nfs/dbraw/zinc/80/23/91/532802391.db2.gz DWPOESQRAXWIOZ-GFCCVEGCSA-N 1 1 383.290 2.148 20 0 GEADMO Cc1cnn(C)c1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000551962749 532802920 /nfs/dbraw/zinc/80/29/20/532802920.db2.gz VHERKSCIMAQANJ-MRXNPFEDSA-N 1 1 382.917 2.497 20 0 GEADMO CCOc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1OC(F)F ZINC000271174676 532803749 /nfs/dbraw/zinc/80/37/49/532803749.db2.gz KANZOSSVYSCATP-CYBMUJFWSA-N 1 1 378.441 2.187 20 0 GEADMO Cc1nn2cc(S(=O)(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)cnc2c1Cl ZINC000329942527 532813425 /nfs/dbraw/zinc/81/34/25/532813425.db2.gz VRHJTZCKUZWVDP-NEPJUHHUSA-N 1 1 385.921 2.090 20 0 GEADMO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)nn1 ZINC000329783258 532811670 /nfs/dbraw/zinc/81/16/70/532811670.db2.gz OJTPBELSZLKFEJ-BRWVUGGUSA-N 1 1 393.285 2.404 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000556685856 532811961 /nfs/dbraw/zinc/81/19/61/532811961.db2.gz KACTWDJGWJFHCB-LLVKDONJSA-N 1 1 375.803 2.433 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000556685856 532811964 /nfs/dbraw/zinc/81/19/64/532811964.db2.gz KACTWDJGWJFHCB-LLVKDONJSA-N 1 1 375.803 2.433 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[C@H]2CCCO2)CC1 ZINC000556683889 532811988 /nfs/dbraw/zinc/81/19/88/532811988.db2.gz RPGFESZLCAMYHF-CYBMUJFWSA-N 1 1 383.290 2.104 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)ccc3Br)[C@H]2C1 ZINC000272399775 532815048 /nfs/dbraw/zinc/81/50/48/532815048.db2.gz ZFIJXXQHLMCPND-YGRLFVJLSA-N 1 1 384.249 2.079 20 0 GEADMO COc1cc(Br)c(CN2CCC([N@@H+](C)CCCO)CC2)cc1O ZINC000272253542 532814281 /nfs/dbraw/zinc/81/42/81/532814281.db2.gz ISMDABIYCKWGPB-UHFFFAOYSA-N 1 1 387.318 2.442 20 0 GEADMO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000288009060 532814667 /nfs/dbraw/zinc/81/46/67/532814667.db2.gz HBGCGIXZXDAXAV-YHWZYXNKSA-N 1 1 398.301 2.132 20 0 GEADMO Cc1cc(CS(=O)(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)on1 ZINC000330191200 532815782 /nfs/dbraw/zinc/81/57/82/532815782.db2.gz WVPQHUDBXWLESI-AWEZNQCLSA-N 1 1 384.527 2.032 20 0 GEADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000330194467 532815965 /nfs/dbraw/zinc/81/59/65/532815965.db2.gz ZBJHIAHQAMVCGA-MRXNPFEDSA-N 1 1 386.587 2.182 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccsc1Br ZINC000288084288 532816667 /nfs/dbraw/zinc/81/66/67/532816667.db2.gz VZIGJODREWDELT-LBPRGKRZSA-N 1 1 388.331 2.117 20 0 GEADMO CNS(=O)(=O)c1csc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000272675906 532816732 /nfs/dbraw/zinc/81/67/32/532816732.db2.gz JVKLPYRQUGQDFK-CHWSQXEVSA-N 1 1 385.555 2.039 20 0 GEADMO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000330440220 532818756 /nfs/dbraw/zinc/81/87/56/532818756.db2.gz CTNBBODOCMIIJO-AWEZNQCLSA-N 1 1 378.897 2.255 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000330440220 532818758 /nfs/dbraw/zinc/81/87/58/532818758.db2.gz CTNBBODOCMIIJO-AWEZNQCLSA-N 1 1 378.897 2.255 20 0 GEADMO C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC000272933576 532819721 /nfs/dbraw/zinc/81/97/21/532819721.db2.gz LFLXRGHMCDPYBW-LRDDRELGSA-N 1 1 382.302 2.432 20 0 GEADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000273409655 532823690 /nfs/dbraw/zinc/82/36/90/532823690.db2.gz PILQPTHCWDHCCB-MRXNPFEDSA-N 1 1 381.519 2.221 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330607007 532822575 /nfs/dbraw/zinc/82/25/75/532822575.db2.gz LENZQVVNCPRADS-AGIUHOORSA-N 1 1 382.302 2.118 20 0 GEADMO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000288275745 532822684 /nfs/dbraw/zinc/82/26/84/532822684.db2.gz IKGJUFJQYVDTDO-OAHLLOKOSA-N 1 1 384.322 2.304 20 0 GEADMO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)[N@H+]1CCC[C@H](C)C1 ZINC000330667909 532825061 /nfs/dbraw/zinc/82/50/61/532825061.db2.gz JRMGLFRRWBIGDT-NWDGAFQWSA-N 1 1 376.320 2.243 20 0 GEADMO CS[C@H]1CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273566674 532826822 /nfs/dbraw/zinc/82/68/22/532826822.db2.gz YNDACNJNSHRQBJ-HOTGVXAUSA-N 1 1 382.551 2.050 20 0 GEADMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000414469039 532830142 /nfs/dbraw/zinc/83/01/42/532830142.db2.gz LJOULTKOSVUJSL-LLVKDONJSA-N 1 1 385.873 2.231 20 0 GEADMO O=C(Nc1ccncc1I)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000273689303 532830939 /nfs/dbraw/zinc/83/09/39/532830939.db2.gz GUZDOWOZPJRBIL-STQMWFEESA-N 1 1 386.237 2.435 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+](C)C3CC3)nc12 ZINC000273775948 532834249 /nfs/dbraw/zinc/83/42/49/532834249.db2.gz YTDZNWHPEKDTBJ-UHFFFAOYSA-N 1 1 380.290 2.299 20 0 GEADMO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000331280345 532836748 /nfs/dbraw/zinc/83/67/48/532836748.db2.gz BTRSSXPGWHKJKN-UHFFFAOYSA-N 1 1 396.329 2.316 20 0 GEADMO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000331280345 532836752 /nfs/dbraw/zinc/83/67/52/532836752.db2.gz BTRSSXPGWHKJKN-UHFFFAOYSA-N 1 1 396.329 2.316 20 0 GEADMO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000415097196 532838182 /nfs/dbraw/zinc/83/81/82/532838182.db2.gz SBZRVZNLEXYAGH-XJKSGUPXSA-N 1 1 381.318 2.178 20 0 GEADMO Cc1ccc(-n2cnnc2SCC(=O)N2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000331522036 532840939 /nfs/dbraw/zinc/84/09/39/532840939.db2.gz CTNHOCREPKNPMJ-CYBMUJFWSA-N 1 1 379.917 2.484 20 0 GEADMO Cc1ccc(-n2cnnc2SCC(=O)N2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000331522036 532840943 /nfs/dbraw/zinc/84/09/43/532840943.db2.gz CTNHOCREPKNPMJ-CYBMUJFWSA-N 1 1 379.917 2.484 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[NH+]3CCSCC3)nc12 ZINC000274141031 532841800 /nfs/dbraw/zinc/84/18/00/532841800.db2.gz DRWDRDIFSVPGPB-LBPRGKRZSA-N 1 1 397.342 2.459 20 0 GEADMO COc1ccc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)c(OC)c1 ZINC000288933831 532842338 /nfs/dbraw/zinc/84/23/38/532842338.db2.gz WGASYZCBXAHQPY-UHFFFAOYSA-N 1 1 397.273 2.233 20 0 GEADMO COc1ccc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)c(OC)c1 ZINC000288933831 532842342 /nfs/dbraw/zinc/84/23/42/532842342.db2.gz WGASYZCBXAHQPY-UHFFFAOYSA-N 1 1 397.273 2.233 20 0 GEADMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccn(-c5ccccc5)n4)C[C@@H]3C2)no1 ZINC000359976183 206275381 /nfs/dbraw/zinc/27/53/81/206275381.db2.gz GMPLRMNTDSUIKR-CALCHBBNSA-N 1 1 378.480 2.382 20 0 GEADMO Cc1nccn1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000359977781 206276202 /nfs/dbraw/zinc/27/62/02/206276202.db2.gz MDLMYBPQKTZLEG-IEBWSBKVSA-N 1 1 387.532 2.040 20 0 GEADMO COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000359998497 206278746 /nfs/dbraw/zinc/27/87/46/206278746.db2.gz XDMLNDPDMZABFR-RRFJBIMHSA-N 1 1 380.489 2.384 20 0 GEADMO COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000359998497 206278751 /nfs/dbraw/zinc/27/87/51/206278751.db2.gz XDMLNDPDMZABFR-RRFJBIMHSA-N 1 1 380.489 2.384 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(I)cc1 ZINC000015042651 206296099 /nfs/dbraw/zinc/29/60/99/206296099.db2.gz ODEFRJWKQYHWSR-LBPRGKRZSA-N 1 1 394.278 2.054 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(I)cc1 ZINC000015042648 206296140 /nfs/dbraw/zinc/29/61/40/206296140.db2.gz ODEFRJWKQYHWSR-GFCCVEGCSA-N 1 1 394.278 2.054 20 0 GEADMO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000331865672 532846175 /nfs/dbraw/zinc/84/61/75/532846175.db2.gz BXWQWDCUFSJOPL-VXGBXAGGSA-N 1 1 380.290 2.342 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1Br ZINC000274446859 532850751 /nfs/dbraw/zinc/85/07/51/532850751.db2.gz ULRXFZITZUJEMK-FZMZJTMJSA-N 1 1 380.286 2.295 20 0 GEADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)C2 ZINC000289416556 532853970 /nfs/dbraw/zinc/85/39/70/532853970.db2.gz AUCJLSCPGHVCMH-GFCCVEGCSA-N 1 1 391.269 2.271 20 0 GEADMO O=c1nc(C2CC[NH+](Cc3ccc(I)cc3)CC2)[nH][nH]1 ZINC000289464806 532855753 /nfs/dbraw/zinc/85/57/53/532855753.db2.gz QLZVEUIQBBHZEP-UHFFFAOYSA-N 1 1 384.221 2.082 20 0 GEADMO COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(SC)cc1OC ZINC000289541531 532857748 /nfs/dbraw/zinc/85/77/48/532857748.db2.gz QLQKKOCSLSCOKK-CQSZACIVSA-N 1 1 388.555 2.282 20 0 GEADMO COc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(SC)cc1OC ZINC000289541531 532857752 /nfs/dbraw/zinc/85/77/52/532857752.db2.gz QLQKKOCSLSCOKK-CQSZACIVSA-N 1 1 388.555 2.282 20 0 GEADMO COc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC(F)F ZINC000289556451 532858699 /nfs/dbraw/zinc/85/86/99/532858699.db2.gz RLOVHXXBYIHESV-ZDUSSCGKSA-N 1 1 378.441 2.152 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC(F)F ZINC000289556451 532858700 /nfs/dbraw/zinc/85/87/00/532858700.db2.gz RLOVHXXBYIHESV-ZDUSSCGKSA-N 1 1 378.441 2.152 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cn(-c3ccc(Cl)cc3Cl)nn1)C2 ZINC000274896519 532859253 /nfs/dbraw/zinc/85/92/53/532859253.db2.gz GAQBCHNHGMHFAM-UHFFFAOYSA-N 1 1 377.235 2.216 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cn(-c3ccc(Cl)cc3Cl)nn1)C2 ZINC000274896519 532859256 /nfs/dbraw/zinc/85/92/56/532859256.db2.gz GAQBCHNHGMHFAM-UHFFFAOYSA-N 1 1 377.235 2.216 20 0 GEADMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(O)ccc2Br)NC(=O)NC1=O ZINC000289605561 532860453 /nfs/dbraw/zinc/86/04/53/532860453.db2.gz KZSFNWVDYIWITP-BDJLRTHQSA-N 1 1 382.258 2.107 20 0 GEADMO O=C1[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)CCN1C1CCOCC1 ZINC000332694902 532860857 /nfs/dbraw/zinc/86/08/57/532860857.db2.gz VVPPILXVGWKRKV-DLBZAZTESA-N 1 1 397.313 2.242 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000275037978 532862133 /nfs/dbraw/zinc/86/21/33/532862133.db2.gz QQBIMYAPAXEDCB-DOMZBBRYSA-N 1 1 380.286 2.249 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000332905364 532862163 /nfs/dbraw/zinc/86/21/63/532862163.db2.gz BNTACYBJTGTGCY-HZMBPMFUSA-N 1 1 381.270 2.433 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416162716 532865831 /nfs/dbraw/zinc/86/58/31/532865831.db2.gz VXBLZFBHNWGJNI-LLVKDONJSA-N 1 1 392.700 2.146 20 0 GEADMO CN1CCN(C(=O)C2CC[NH+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000289858339 532866735 /nfs/dbraw/zinc/86/67/35/532866735.db2.gz QLBZMSVBTWELMY-UHFFFAOYSA-N 1 1 396.329 2.141 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@H]2C1 ZINC000333354817 532867558 /nfs/dbraw/zinc/86/75/58/532867558.db2.gz SGNURMVYWWRHIL-BZNIZROVSA-N 1 1 390.281 2.457 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc(Cl)c(Br)cc2F)CC1 ZINC000416214039 532867572 /nfs/dbraw/zinc/86/75/72/532867572.db2.gz KESPUDIGILNTJS-SNVBAGLBSA-N 1 1 393.684 2.309 20 0 GEADMO CN1C(=O)NCC12CC[NH+](Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000333444484 532868519 /nfs/dbraw/zinc/86/85/19/532868519.db2.gz XEQQYVWEMVBDMF-UHFFFAOYSA-N 1 1 396.285 2.210 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416300616 532870454 /nfs/dbraw/zinc/87/04/54/532870454.db2.gz UFHRJVCDGICBGL-IHRRRGAJSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416300616 532870457 /nfs/dbraw/zinc/87/04/57/532870457.db2.gz UFHRJVCDGICBGL-IHRRRGAJSA-N 1 1 385.302 2.130 20 0 GEADMO CS(=O)(=O)N[C@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000290021672 532870856 /nfs/dbraw/zinc/87/08/56/532870856.db2.gz MSVFVBOHGSJICW-AWEZNQCLSA-N 1 1 389.315 2.036 20 0 GEADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000290021672 532870859 /nfs/dbraw/zinc/87/08/59/532870859.db2.gz MSVFVBOHGSJICW-AWEZNQCLSA-N 1 1 389.315 2.036 20 0 GEADMO CN1C(=O)NCC12CC[NH+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000333691004 532871819 /nfs/dbraw/zinc/87/18/19/532871819.db2.gz FZYCINSITJQDGU-UHFFFAOYSA-N 1 1 396.285 2.210 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C(F)F ZINC000416371294 532872540 /nfs/dbraw/zinc/87/25/40/532872540.db2.gz MJNCPMGAASUHEC-LLVKDONJSA-N 1 1 378.470 2.309 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000275411445 532875813 /nfs/dbraw/zinc/87/58/13/532875813.db2.gz GPEYQUYYFYNWJL-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000416404420 532876693 /nfs/dbraw/zinc/87/66/93/532876693.db2.gz ADRFUOYROGWLOD-RYUDHWBXSA-N 1 1 376.906 2.460 20 0 GEADMO O=C(CCN1C(=O)COc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020687622 207210934 /nfs/dbraw/zinc/21/09/34/207210934.db2.gz ULFPYKUKXBIRSW-UHFFFAOYSA-N 1 1 379.460 2.147 20 0 GEADMO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419530488 532881990 /nfs/dbraw/zinc/88/19/90/532881990.db2.gz ZSVCYUYIITWESY-VWYCJHECSA-N 1 1 380.436 2.319 20 0 GEADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)ncc3Cl)CC2)CC1 ZINC000275726048 532882719 /nfs/dbraw/zinc/88/27/19/532882719.db2.gz UXJGAQJHVUWHDA-UHFFFAOYSA-N 1 1 385.295 2.015 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1cc(Br)c(F)cc1OC ZINC000417580199 532880205 /nfs/dbraw/zinc/88/02/05/532880205.db2.gz DRPSWHLJRLZCJY-UHFFFAOYSA-N 1 1 378.242 2.033 20 0 GEADMO Cc1c(Cl)cc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1Cl ZINC000275871155 532885153 /nfs/dbraw/zinc/88/51/53/532885153.db2.gz GUJBSJRMBAMNEG-UHFFFAOYSA-N 1 1 384.267 2.356 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420918936 532887861 /nfs/dbraw/zinc/88/78/61/532887861.db2.gz AOFTWNVGBXUODG-DLBZAZTESA-N 1 1 383.330 2.149 20 0 GEADMO Ic1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)nc1 ZINC000351089771 532887518 /nfs/dbraw/zinc/88/75/18/532887518.db2.gz LRQLVKDDRXWPSU-CMPLNLGQSA-N 1 1 398.204 2.272 20 0 GEADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420918939 532887817 /nfs/dbraw/zinc/88/78/17/532887817.db2.gz AOFTWNVGBXUODG-SJORKVTESA-N 1 1 383.330 2.149 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCc2c1cccc2Br ZINC000421169959 532889473 /nfs/dbraw/zinc/88/94/73/532889473.db2.gz DVJZLIXOEUZBMA-QWHCGFSZSA-N 1 1 392.297 2.081 20 0 GEADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000290783020 532889529 /nfs/dbraw/zinc/88/95/29/532889529.db2.gz CKNKEXSPOIFHAC-UHFFFAOYSA-N 1 1 388.896 2.398 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421169401 532889525 /nfs/dbraw/zinc/88/95/25/532889525.db2.gz CRHDVUZAMSMULH-CYBMUJFWSA-N 1 1 394.313 2.329 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421305576 532889718 /nfs/dbraw/zinc/88/97/18/532889718.db2.gz UXDDCUIJEQGGTQ-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000360165583 532889999 /nfs/dbraw/zinc/88/99/99/532889999.db2.gz MVNAAVCOTXUJER-GFCCVEGCSA-N 1 1 396.285 2.093 20 0 GEADMO Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000290773465 532888695 /nfs/dbraw/zinc/88/86/95/532888695.db2.gz BLXZIEUBLKODGI-MRVPVSSYSA-N 1 1 387.079 2.303 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000360926207 532891822 /nfs/dbraw/zinc/89/18/22/532891822.db2.gz IVUITVAWSAPVHE-ZLDLUXBVSA-N 1 1 398.301 2.169 20 0 GEADMO CN1C[C@@H]([NH2+]Cc2c(Br)cncc2Br)CCC1=O ZINC000290904238 532892076 /nfs/dbraw/zinc/89/20/76/532892076.db2.gz OGPRXVVQPFZSRO-QMMMGPOBSA-N 1 1 377.080 2.317 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000361909196 532894179 /nfs/dbraw/zinc/89/41/79/532894179.db2.gz SNQUUGXMEVJSDM-CJNGLKHVSA-N 1 1 394.313 2.122 20 0 GEADMO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccncc3Br)CCC[N@H+]2C)cn1 ZINC000361815519 532894191 /nfs/dbraw/zinc/89/41/91/532894191.db2.gz QEXNITABQXDZHA-MLGOLLRUSA-N 1 1 392.301 2.391 20 0 GEADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291015646 532894839 /nfs/dbraw/zinc/89/48/39/532894839.db2.gz MJJZHSVNOKYQNW-PKIAMQTDSA-N 1 1 383.539 2.137 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291015646 532894841 /nfs/dbraw/zinc/89/48/41/532894841.db2.gz MJJZHSVNOKYQNW-PKIAMQTDSA-N 1 1 383.539 2.137 20 0 GEADMO Brc1cncc(Br)c1CNCCC[NH+]1CCOCC1 ZINC000290920097 532892823 /nfs/dbraw/zinc/89/28/23/532892823.db2.gz QJNZLABTDQKFIL-UHFFFAOYSA-N 1 1 393.123 2.419 20 0 GEADMO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361311977 532892954 /nfs/dbraw/zinc/89/29/54/532892954.db2.gz ZBMTWIOVPVEYOF-STQMWFEESA-N 1 1 375.416 2.172 20 0 GEADMO Cc1cc(S(=O)(=O)NCCN[C@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000423002390 532893026 /nfs/dbraw/zinc/89/30/26/532893026.db2.gz YSAMBUVLSXNJAH-GFCCVEGCSA-N 1 1 382.555 2.156 20 0 GEADMO O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363170253 532896987 /nfs/dbraw/zinc/89/69/87/532896987.db2.gz FGKXHYQGASGSOT-CYBMUJFWSA-N 1 1 395.579 2.342 20 0 GEADMO O=C(CSc1n[nH]c(=S)s1)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363170253 532896994 /nfs/dbraw/zinc/89/69/94/532896994.db2.gz FGKXHYQGASGSOT-CYBMUJFWSA-N 1 1 395.579 2.342 20 0 GEADMO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000363213550 532897732 /nfs/dbraw/zinc/89/77/32/532897732.db2.gz YILREGJHFUCJMF-LBPRGKRZSA-N 1 1 378.274 2.396 20 0 GEADMO Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000363213550 532897733 /nfs/dbraw/zinc/89/77/33/532897733.db2.gz YILREGJHFUCJMF-LBPRGKRZSA-N 1 1 378.274 2.396 20 0 GEADMO C[C@H](NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)c1ccc(Cl)c(Cl)c1 ZINC000291192324 532897901 /nfs/dbraw/zinc/89/79/01/532897901.db2.gz PGLBRFQYXQHORY-NSHDSACASA-N 1 1 391.295 2.274 20 0 GEADMO CCn1cc(Br)cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363540943 532899410 /nfs/dbraw/zinc/89/94/10/532899410.db2.gz CZAUPAVEOYDEMO-OAHLLOKOSA-N 1 1 383.334 2.123 20 0 GEADMO O=C(CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1Br ZINC000363672004 532899997 /nfs/dbraw/zinc/89/99/97/532899997.db2.gz MABUFWPPYSVTOW-HUUCEWRRSA-N 1 1 396.329 2.309 20 0 GEADMO C[C@@H](CC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(Br)c1 ZINC000291608274 532905235 /nfs/dbraw/zinc/90/52/35/532905235.db2.gz DFHOODYANLZAOY-JSGCOSHPSA-N 1 1 386.309 2.444 20 0 GEADMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000276984223 532904998 /nfs/dbraw/zinc/90/49/98/532904998.db2.gz VIRJRNGXGKQHNI-HIFRSBDPSA-N 1 1 388.917 2.128 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276979824 532905071 /nfs/dbraw/zinc/90/50/71/532905071.db2.gz SJLRRMNCXVPYLX-JTQLQIEISA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276979824 532905072 /nfs/dbraw/zinc/90/50/72/532905072.db2.gz SJLRRMNCXVPYLX-JTQLQIEISA-N 1 1 397.722 2.102 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000364293719 532905858 /nfs/dbraw/zinc/90/58/58/532905858.db2.gz ZMLLHTJGXZPUBS-FZMZJTMJSA-N 1 1 389.315 2.172 20 0 GEADMO 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/nfs/dbraw/zinc/90/70/26/532907026.db2.gz HCIZTVVIYZJCOT-CQSZACIVSA-N 1 1 396.232 2.373 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)ncc2Br)[C@H](C)C1 ZINC000291709571 532907346 /nfs/dbraw/zinc/90/73/46/532907346.db2.gz PTCZENVTSDXFCJ-NXEZZACHSA-N 1 1 376.682 2.025 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)ncc2Br)[C@H](C)C1 ZINC000291709571 532907347 /nfs/dbraw/zinc/90/73/47/532907347.db2.gz PTCZENVTSDXFCJ-NXEZZACHSA-N 1 1 376.682 2.025 20 0 GEADMO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000365320147 532909698 /nfs/dbraw/zinc/90/96/98/532909698.db2.gz NQCOFIDAAABMTG-STQMWFEESA-N 1 1 386.279 2.220 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000365373978 532910300 /nfs/dbraw/zinc/91/03/00/532910300.db2.gz ZKZFCAJQFYUYIS-CQSZACIVSA-N 1 1 384.293 2.440 20 0 GEADMO Cc1cccc2cc(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)sc21 ZINC000291902939 532910397 /nfs/dbraw/zinc/91/03/97/532910397.db2.gz KFKHRCBGZHHMFE-HNNXBMFYSA-N 1 1 380.535 2.401 20 0 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GEADMO O=C(C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000833105828 601430354 /nfs/dbraw/zinc/43/03/54/601430354.db2.gz MSADJIJTTLAHDR-APWZRJJASA-N 1 1 377.529 2.085 20 0 GEADMO O=C(C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000833105828 601430355 /nfs/dbraw/zinc/43/03/55/601430355.db2.gz MSADJIJTTLAHDR-APWZRJJASA-N 1 1 377.529 2.085 20 0 GEADMO O=C(C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000833105831 601430387 /nfs/dbraw/zinc/43/03/87/601430387.db2.gz MSADJIJTTLAHDR-LPHOPBHVSA-N 1 1 377.529 2.085 20 0 GEADMO O=C(C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000833105831 601430389 /nfs/dbraw/zinc/43/03/89/601430389.db2.gz MSADJIJTTLAHDR-LPHOPBHVSA-N 1 1 377.529 2.085 20 0 GEADMO CC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC1CCN(c2ccccn2)CC1 ZINC000825439685 607507501 /nfs/dbraw/zinc/50/75/01/607507501.db2.gz KNRIFSVPFASMSN-UHFFFAOYSA-N 1 1 378.484 2.395 20 0 GEADMO FC(F)(F)c1cc([C@@H]2CCC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC000826368674 607508728 /nfs/dbraw/zinc/50/87/28/607508728.db2.gz YIRAXCJJAJMDLI-LLVKDONJSA-N 1 1 378.362 2.383 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826441653 607514325 /nfs/dbraw/zinc/51/43/25/607514325.db2.gz OAOADRSZNDMZMZ-YJBOKZPZSA-N 1 1 399.474 2.164 20 0 GEADMO C[C@H]1C[NH+](Cc2ccccc2NCc2ccnc(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824994911 607548420 /nfs/dbraw/zinc/54/84/20/607548420.db2.gz XEKBZVCHJAPLJK-GJZGRUSLSA-N 1 1 379.468 2.483 20 0 GEADMO CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CC(=O)[O-])C3CCCC3)cc2)CC1 ZINC000829781232 602338497 /nfs/dbraw/zinc/33/84/97/602338497.db2.gz RYIACWQWIRPAFE-UHFFFAOYSA-N 1 1 388.512 2.096 20 0 GEADMO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CC(=O)[O-])C3CCCC3)cc2)CC1 ZINC000829781232 602338501 /nfs/dbraw/zinc/33/85/01/602338501.db2.gz RYIACWQWIRPAFE-UHFFFAOYSA-N 1 1 388.512 2.096 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739458330 602510130 /nfs/dbraw/zinc/51/01/30/602510130.db2.gz WTPXHEMLYYMKSR-HNNXBMFYSA-N 1 1 380.464 2.404 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824937766 607579441 /nfs/dbraw/zinc/57/94/41/607579441.db2.gz QUQXVKRVPLQWIM-LBPRGKRZSA-N 1 1 398.920 2.063 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826330995 607601498 /nfs/dbraw/zinc/60/14/98/607601498.db2.gz PCDKYAWWMVTJGM-UHFFFAOYSA-N 1 1 397.483 2.469 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000825195330 607612956 /nfs/dbraw/zinc/61/29/56/607612956.db2.gz WDDZPMOKJINEDU-CQSZACIVSA-N 1 1 392.529 2.046 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000826181790 607636612 /nfs/dbraw/zinc/63/66/12/607636612.db2.gz NXHKHCLTEQONDM-OAHLLOKOSA-N 1 1 388.472 2.317 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000444166907 649938804 /nfs/dbraw/zinc/93/88/04/649938804.db2.gz CMLYTBXMQDTIMO-LLVKDONJSA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000444171553 649938891 /nfs/dbraw/zinc/93/88/91/649938891.db2.gz WTWRMVBIUSTNSL-UHFFFAOYSA-N 1 1 391.740 2.021 20 0 GEADMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000444171553 649938894 /nfs/dbraw/zinc/93/88/94/649938894.db2.gz WTWRMVBIUSTNSL-UHFFFAOYSA-N 1 1 391.740 2.021 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000444166907 649938807 /nfs/dbraw/zinc/93/88/07/649938807.db2.gz CMLYTBXMQDTIMO-LLVKDONJSA-N 1 1 386.823 2.358 20 0 GEADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000824936855 607697407 /nfs/dbraw/zinc/69/74/07/607697407.db2.gz MLFNLCBZXZMWMQ-CQSZACIVSA-N 1 1 379.468 2.499 20 0 GEADMO O=C(C[N@H+](CCO)C1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000444779908 649952370 /nfs/dbraw/zinc/95/23/70/649952370.db2.gz ZLNGWMWPEYEYBR-UHFFFAOYSA-N 1 1 393.228 2.139 20 0 GEADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000833625548 605135082 /nfs/dbraw/zinc/13/50/82/605135082.db2.gz MZCJNTZWCRVGDA-PKOBYXMFSA-N 1 1 388.512 2.014 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1CCC(=O)[O-] ZINC000833619175 605274779 /nfs/dbraw/zinc/27/47/79/605274779.db2.gz SVNHVOJTZWSSKU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1CCC(=O)[O-] ZINC000833619175 605274780 /nfs/dbraw/zinc/27/47/80/605274780.db2.gz SVNHVOJTZWSSKU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1CCC(=O)[O-] ZINC000833619175 605274781 /nfs/dbraw/zinc/27/47/81/605274781.db2.gz SVNHVOJTZWSSKU-AEFFLSMTSA-N 1 1 391.487 2.045 20 0 GEADMO CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCC(=O)[O-])cc3)CC2)CC1 ZINC000833500263 605298712 /nfs/dbraw/zinc/29/87/12/605298712.db2.gz OVDIDJVEXWGVAK-UHFFFAOYSA-N 1 1 375.513 2.140 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000824698955 607755790 /nfs/dbraw/zinc/75/57/90/607755790.db2.gz OUAZIRGDUNLDTH-DMDPSCGWSA-N 1 1 378.864 2.082 20 0 GEADMO COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833883729 605631659 /nfs/dbraw/zinc/63/16/59/605631659.db2.gz QPFWQQYVGXMLTR-XLIONFOSSA-N 1 1 377.485 2.191 20 0 GEADMO COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833883729 605631665 /nfs/dbraw/zinc/63/16/65/605631665.db2.gz QPFWQQYVGXMLTR-XLIONFOSSA-N 1 1 377.485 2.191 20 0 GEADMO C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)[O-])C2)c1)C1CCOCC1 ZINC000828337445 605846038 /nfs/dbraw/zinc/84/60/38/605846038.db2.gz SXUIKDNIJBXFDF-QGZVFWFLSA-N 1 1 377.485 2.018 20 0 GEADMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000820564135 606075943 /nfs/dbraw/zinc/07/59/43/606075943.db2.gz YYBDXOIBUKINOA-AWEZNQCLSA-N 1 1 378.436 2.091 20 0 GEADMO 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GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000461634061 650457496 /nfs/dbraw/zinc/45/74/96/650457496.db2.gz BPYYNHYXSRBLHI-ZDUSSCGKSA-N 1 1 384.318 2.416 20 0 GEADMO C[C@@H]1[C@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@H+]1C ZINC000462060253 650465359 /nfs/dbraw/zinc/46/53/59/650465359.db2.gz QBQABONXSFXPHV-IUODEOHRSA-N 1 1 375.332 2.394 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C(=O)OC)CCC1)c1ccsc1 ZINC000462086807 650466884 /nfs/dbraw/zinc/46/68/84/650466884.db2.gz YLUDUFCLYAINKA-OAHLLOKOSA-N 1 1 388.555 2.394 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000462120054 650470002 /nfs/dbraw/zinc/47/00/02/650470002.db2.gz HPDPZRYMQBIDMC-UHFFFAOYSA-N 1 1 397.317 2.086 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000462160156 650471831 /nfs/dbraw/zinc/47/18/31/650471831.db2.gz AJEKMEWLUTYGLD-NSHDSACASA-N 1 1 376.270 2.263 20 0 GEADMO C[C@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000462262441 650472773 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COC(=O)Cn1cc(CC[N@H+]2CCc3c(Br)cccc3[C@@H]2C)nn1 ZINC000509486823 650494373 /nfs/dbraw/zinc/49/43/73/650494373.db2.gz ZMFOEWRAQZNCMQ-LBPRGKRZSA-N 1 1 393.285 2.375 20 0 GEADMO COC(=O)Cn1cc(CC[N@@H+]2CCc3c(Br)cccc3[C@H]2C)nn1 ZINC000509486822 650494418 /nfs/dbraw/zinc/49/44/18/650494418.db2.gz ZMFOEWRAQZNCMQ-GFCCVEGCSA-N 1 1 393.285 2.375 20 0 GEADMO COC(=O)Cn1cc(CC[N@H+]2CCc3c(Br)cccc3[C@H]2C)nn1 ZINC000509486822 650494420 /nfs/dbraw/zinc/49/44/20/650494420.db2.gz ZMFOEWRAQZNCMQ-GFCCVEGCSA-N 1 1 393.285 2.375 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000509592013 650496646 /nfs/dbraw/zinc/49/66/46/650496646.db2.gz MAFQDFCUVVKEBJ-QWRGUYRKSA-N 1 1 388.331 2.134 20 0 GEADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000468137448 650504340 /nfs/dbraw/zinc/50/43/40/650504340.db2.gz FEKUWWYJKGMWNS-MAZHCROVSA-N 1 1 389.949 2.023 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccccn2)cc1Br ZINC000467021986 650501065 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CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000468931457 650508529 /nfs/dbraw/zinc/50/85/29/650508529.db2.gz KSYAMKHELBDPSC-SFHVURJKSA-N 1 1 377.595 2.014 20 0 GEADMO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2ncc(Cl)s2)N2CC[C@H]1C2 ZINC000472076543 650519349 /nfs/dbraw/zinc/51/93/49/650519349.db2.gz DHURPPQJKDUQIF-GJZGRUSLSA-N 1 1 376.913 2.485 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000472064290 650519360 /nfs/dbraw/zinc/51/93/60/650519360.db2.gz RPELXILQSQMCJJ-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000474107362 650527982 /nfs/dbraw/zinc/52/79/82/650527982.db2.gz YALWPNFULYYSOP-GHMZBOCLSA-N 1 1 377.304 2.219 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccsc1Br ZINC000511404329 650535953 /nfs/dbraw/zinc/53/59/53/650535953.db2.gz KFVXTOPMASAYMW-GFCCVEGCSA-N 1 1 376.320 2.421 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1cscc1Br)NC[C@H]1CCCCO1 ZINC000512066481 650544822 /nfs/dbraw/zinc/54/48/22/650544822.db2.gz 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CCOC(=O)CC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000476600522 650555352 /nfs/dbraw/zinc/55/53/52/650555352.db2.gz LITUESSDWAIKPT-UHFFFAOYSA-N 1 1 377.304 2.354 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[N@@H+]1C ZINC000513088633 650557735 /nfs/dbraw/zinc/55/77/35/650557735.db2.gz KMRPHPJLAADHDX-ZENOOKHLSA-N 1 1 394.313 2.353 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@H](C)[N@@H+]1C ZINC000513164643 650559157 /nfs/dbraw/zinc/55/91/57/650559157.db2.gz IMJSMCPMHZWTJK-MJBXVCDLSA-N 1 1 394.313 2.353 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000476780570 650559744 /nfs/dbraw/zinc/55/97/44/650559744.db2.gz VUFWSWUTPFKQGN-NSHDSACASA-N 1 1 388.281 2.051 20 0 GEADMO CO[C@@H](C)C[N@@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000513329686 650561466 /nfs/dbraw/zinc/56/14/66/650561466.db2.gz PNXLTMILFHPCPC-LBPRGKRZSA-N 1 1 375.300 2.004 20 0 GEADMO C[C@@H]1COCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000513975716 650572310 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20 0 GEADMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000542321756 650890164 /nfs/dbraw/zinc/89/01/64/650890164.db2.gz MJOSRGNAZJWFRO-HNNXBMFYSA-N 1 1 387.933 2.372 20 0 GEADMO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000156349022 644090459 /nfs/dbraw/zinc/09/04/59/644090459.db2.gz IYFJPUKZRKCQHG-NSHDSACASA-N 1 1 383.246 2.392 20 0 GEADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000156349022 644090466 /nfs/dbraw/zinc/09/04/66/644090466.db2.gz IYFJPUKZRKCQHG-NSHDSACASA-N 1 1 383.246 2.392 20 0 GEADMO CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1F ZINC000156401546 644094503 /nfs/dbraw/zinc/09/45/03/644094503.db2.gz UFEFVJADMUSIPS-UHFFFAOYSA-N 1 1 399.264 2.417 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000156599718 644106243 /nfs/dbraw/zinc/10/62/43/644106243.db2.gz PPFLSXJRTXHXDO-CYBMUJFWSA-N 1 1 375.252 2.421 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000156599718 644106247 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CC[N@H+]1CCC[C@H]1CNC(=O)c1cccn2c(I)cnc12 ZINC000176785948 644405583 /nfs/dbraw/zinc/40/55/83/644405583.db2.gz SMNDEIPIMAACSF-NSHDSACASA-N 1 1 398.248 2.153 20 0 GEADMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CSCCS2)[C@H](c2ccccc2)C1 ZINC000176976478 644407691 /nfs/dbraw/zinc/40/76/91/644407691.db2.gz QOKQERCPOAWUPL-ROUUACIJSA-N 1 1 379.595 2.330 20 0 GEADMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CSCCS2)[C@H](c2ccccc2)C1 ZINC000176976478 644407696 /nfs/dbraw/zinc/40/76/96/644407696.db2.gz QOKQERCPOAWUPL-ROUUACIJSA-N 1 1 379.595 2.330 20 0 GEADMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CSCCS2)[C@H](c2ccccc2)C1 ZINC000176976478 644407699 /nfs/dbraw/zinc/40/76/99/644407699.db2.gz QOKQERCPOAWUPL-ROUUACIJSA-N 1 1 379.595 2.330 20 0 GEADMO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000543681862 650919084 /nfs/dbraw/zinc/91/90/84/650919084.db2.gz AEEFSYYCGIOKRG-IIAWOOMASA-N 1 1 385.555 2.007 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000543681862 650919087 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COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000398874690 647900871 /nfs/dbraw/zinc/90/08/71/647900871.db2.gz BJBMAXBZSLNVCK-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000398874690 647900877 /nfs/dbraw/zinc/90/08/77/647900877.db2.gz BJBMAXBZSLNVCK-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO CO[C@@]1(CO)CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000401786617 647904053 /nfs/dbraw/zinc/90/40/53/647904053.db2.gz UFUYEMJLVOQNOI-DYVFJYSZSA-N 1 1 385.302 2.100 20 0 GEADMO CO[C@@]1(CO)CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000401786617 647904062 /nfs/dbraw/zinc/90/40/62/647904062.db2.gz UFUYEMJLVOQNOI-DYVFJYSZSA-N 1 1 385.302 2.100 20 0 GEADMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)[C@@H](C)C[N@H+]1C ZINC000408071854 647922188 /nfs/dbraw/zinc/92/21/88/647922188.db2.gz QMDWYIYLEJDILC-ZJUUUORDSA-N 1 1 398.248 2.332 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000408071852 647922399 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C[C@H](Nc1nc(N[C@@H](C)c2csnn2)c2c([nH+]1)CCS2)c1csnn1 ZINC000413546413 648072395 /nfs/dbraw/zinc/07/23/95/648072395.db2.gz CBRQWLAYYJLACP-YUMQZZPRSA-N 1 1 392.539 2.018 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cccc(Br)c1Cl ZINC000413648207 648078883 /nfs/dbraw/zinc/07/88/83/648078883.db2.gz BMVKRYWMHHFBQD-LLVKDONJSA-N 1 1 390.709 2.311 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cccc(Br)c1Cl ZINC000413648207 648078885 /nfs/dbraw/zinc/07/88/85/648078885.db2.gz BMVKRYWMHHFBQD-LLVKDONJSA-N 1 1 390.709 2.311 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCc1cccc(Br)c1Cl ZINC000413657079 648079929 /nfs/dbraw/zinc/07/99/29/648079929.db2.gz OXVPDKIBXKQRSF-UHFFFAOYSA-N 1 1 378.698 2.216 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CC[N@H+](C)C1 ZINC000413900978 648083204 /nfs/dbraw/zinc/08/32/04/648083204.db2.gz LQBLBCQOUSMFDH-LLVKDONJSA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+](C)C1 ZINC000413900978 648083217 /nfs/dbraw/zinc/08/32/17/648083217.db2.gz LQBLBCQOUSMFDH-LLVKDONJSA-N 1 1 389.677 2.279 20 0 GEADMO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)n1 ZINC000415598047 648109280 /nfs/dbraw/zinc/10/92/80/648109280.db2.gz OPZOCBKYOWVSBX-UHFFFAOYSA-N 1 1 386.449 2.251 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C1 ZINC000416409953 648115564 /nfs/dbraw/zinc/11/55/64/648115564.db2.gz DFEUWBIMVSBYSD-CYBMUJFWSA-N 1 1 388.917 2.479 20 0 GEADMO CCOc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1Br ZINC000416492485 648146920 /nfs/dbraw/zinc/14/69/20/648146920.db2.gz AHHZYPVOCIYHCF-LLVKDONJSA-N 1 1 377.304 2.078 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)cc2Br)CC[N@@H+](C)C1 ZINC000416740526 648210760 /nfs/dbraw/zinc/21/07/60/648210760.db2.gz URKMDNLFFQTKQX-GFCCVEGCSA-N 1 1 384.274 2.326 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+](C)C1 ZINC000416901158 648215868 /nfs/dbraw/zinc/21/58/68/648215868.db2.gz ANIVRCARWKRFLZ-JTQLQIEISA-N 1 1 388.237 2.157 20 0 GEADMO O=C(Nc1cccnn1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000416921628 648216862 /nfs/dbraw/zinc/21/68/62/648216862.db2.gz VAYIHVZYLCVLPK-UHFFFAOYSA-N 1 1 390.285 3.025 20 0 GEADMO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417731364 648260210 /nfs/dbraw/zinc/26/02/10/648260210.db2.gz OSSACUAYESSJII-MNOVXSKESA-N 1 1 393.289 2.113 20 0 GEADMO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417731364 648260215 /nfs/dbraw/zinc/26/02/15/648260215.db2.gz OSSACUAYESSJII-MNOVXSKESA-N 1 1 393.289 2.113 20 0 GEADMO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417731367 648260293 /nfs/dbraw/zinc/26/02/93/648260293.db2.gz OSSACUAYESSJII-QWRGUYRKSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417731367 648260299 /nfs/dbraw/zinc/26/02/99/648260299.db2.gz OSSACUAYESSJII-QWRGUYRKSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094979 648279091 /nfs/dbraw/zinc/27/90/91/648279091.db2.gz IQOBOXYXMGCVDZ-WMLDXEAASA-N 1 1 399.308 2.371 20 0 GEADMO Cc1cc(Br)cn2c(CN3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cnc12 ZINC000418114939 648282060 /nfs/dbraw/zinc/28/20/60/648282060.db2.gz OULUTXSRNXQDEW-KGLIPLIRSA-N 1 1 381.318 2.292 20 0 GEADMO Cc1cc(Br)cn2c(CN3C[C@H](C)[N@H+](CCO)C[C@H]3C)cnc12 ZINC000418114940 648282141 /nfs/dbraw/zinc/28/21/41/648282141.db2.gz OULUTXSRNXQDEW-UONOGXRCSA-N 1 1 381.318 2.292 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418522214 648299626 /nfs/dbraw/zinc/29/96/26/648299626.db2.gz IJKSFSUUSMOGKJ-UHFFFAOYSA-N 1 1 395.237 2.055 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418525191 648299859 /nfs/dbraw/zinc/29/98/59/648299859.db2.gz OJVCKRWIYMSWDD-GFCCVEGCSA-N 1 1 378.217 2.126 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](C)[C@H]1C ZINC000419381832 648351078 /nfs/dbraw/zinc/35/10/78/648351078.db2.gz YSPPYJJAMXPHFP-AGIUHOORSA-N 1 1 382.302 2.480 20 0 GEADMO C[C@H]1[C@@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000419381834 648351233 /nfs/dbraw/zinc/35/12/33/648351233.db2.gz YSPPYJJAMXPHFP-JHJVBQTASA-N 1 1 382.302 2.480 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(Br)s1 ZINC000419418857 648351367 /nfs/dbraw/zinc/35/13/67/648351367.db2.gz YQYVQGHKPSCCOR-RYUDHWBXSA-N 1 1 390.347 2.150 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(F)ccc1Br ZINC000419416923 648351776 /nfs/dbraw/zinc/35/17/76/648351776.db2.gz AIRZGNNDOGTKGI-VXGBXAGGSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)s1 ZINC000419424152 648351810 /nfs/dbraw/zinc/35/18/10/648351810.db2.gz CJJDJDNJDDEMLZ-QWRGUYRKSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2sccc2Br)[C@@H](C)C[N@H+]1CCO ZINC000419434305 648352761 /nfs/dbraw/zinc/35/27/61/648352761.db2.gz IVNRIBNZIZODQG-MNOVXSKESA-N 1 1 376.320 2.107 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000419433739 648352874 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Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000421518479 648495824 /nfs/dbraw/zinc/49/58/24/648495824.db2.gz OYMSWOWNRYAIDY-CQSZACIVSA-N 1 1 396.329 2.222 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709949 648506086 /nfs/dbraw/zinc/50/60/86/648506086.db2.gz IAEKATKPZTWLDD-TZMCWYRMSA-N 1 1 380.286 2.428 20 0 GEADMO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422096488 648521959 /nfs/dbraw/zinc/52/19/59/648521959.db2.gz AJRZPPHESNRTED-MRXNPFEDSA-N 1 1 396.329 2.269 20 0 GEADMO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422109836 648522798 /nfs/dbraw/zinc/52/27/98/648522798.db2.gz VXJQHGSTHQCUNT-LBPRGKRZSA-N 1 1 388.331 2.022 20 0 GEADMO CNc1cc(I)ccc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422129243 648524455 /nfs/dbraw/zinc/52/44/55/648524455.db2.gz GFMPLVQQDDNFPL-GFCCVEGCSA-N 1 1 387.265 2.499 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422300719 648534833 /nfs/dbraw/zinc/53/48/33/648534833.db2.gz DHEWMQUFGBNHDG-HNNXBMFYSA-N 1 1 396.329 2.364 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CS1 ZINC000422352169 648539558 /nfs/dbraw/zinc/53/95/58/648539558.db2.gz DQESLTXLXYGOKB-ORIJERBGSA-N 1 1 381.567 2.257 20 0 GEADMO CCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000422555831 648559032 /nfs/dbraw/zinc/55/90/32/648559032.db2.gz BVDIPNHMYPIOIQ-UHFFFAOYSA-N 1 1 396.329 2.398 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCCN[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422908855 648576718 /nfs/dbraw/zinc/57/67/18/648576718.db2.gz MWZPAEVMOXZFFN-WBMJQRKESA-N 1 1 384.318 2.308 20 0 GEADMO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422989355 648579707 /nfs/dbraw/zinc/57/97/07/648579707.db2.gz LDKRSZQCCJTQOP-RRQGHBQHSA-N 1 1 398.345 2.128 20 0 GEADMO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1Br ZINC000423959377 648605688 /nfs/dbraw/zinc/60/56/88/648605688.db2.gz RFKIAJZGXUEPLJ-AWEZNQCLSA-N 1 1 377.242 2.040 20 0 GEADMO 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O=C(NCc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000550362214 651109851 /nfs/dbraw/zinc/10/98/51/651109851.db2.gz PXWMENJKRLBJKW-INIZCTEOSA-N 1 1 394.313 2.198 20 0 GEADMO CS[C@@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000550671303 651114032 /nfs/dbraw/zinc/11/40/32/651114032.db2.gz FRPHQJKOEHDBQQ-XJKSGUPXSA-N 1 1 383.945 2.461 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(Br)cc2)C[C@H]1C ZINC000550763359 651115187 /nfs/dbraw/zinc/11/51/87/651115187.db2.gz XOYVWEWAKQZVIN-OLZOCXBDSA-N 1 1 382.302 2.006 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(Br)cc2)C[C@H]1C ZINC000550763359 651115188 /nfs/dbraw/zinc/11/51/88/651115188.db2.gz XOYVWEWAKQZVIN-OLZOCXBDSA-N 1 1 382.302 2.006 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2)C[C@@H]1C ZINC000550763227 651115197 /nfs/dbraw/zinc/11/51/97/651115197.db2.gz VRERJYUYJUMOGK-XJKSGUPXSA-N 1 1 396.329 2.397 20 0 GEADMO O=C(NCCSc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551496222 651125974 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C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCC[C@@H]21 ZINC000552266372 651145280 /nfs/dbraw/zinc/14/52/80/651145280.db2.gz JJBDCYLKOKXNML-BPUTZDHNSA-N 1 1 389.924 2.220 20 0 GEADMO C[N@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCC[C@@H]21 ZINC000552266372 651145284 /nfs/dbraw/zinc/14/52/84/651145284.db2.gz JJBDCYLKOKXNML-BPUTZDHNSA-N 1 1 389.924 2.220 20 0 GEADMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(=O)[nH]n1 ZINC000552323230 651146675 /nfs/dbraw/zinc/14/66/75/651146675.db2.gz AWFBYFINWJDTNN-VIFPVBQESA-N 1 1 391.280 2.118 20 0 GEADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ncc(Br)cn1 ZINC000552385874 651147903 /nfs/dbraw/zinc/14/79/03/651147903.db2.gz OEANVCIPIZVGNJ-FZMZJTMJSA-N 1 1 383.290 2.060 20 0 GEADMO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000552499249 651150974 /nfs/dbraw/zinc/15/09/74/651150974.db2.gz XUDNHCGTNPBSGA-NSHDSACASA-N 1 1 386.290 2.089 20 0 GEADMO C[N@H+]1CC[C@@H](C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000552802629 651158227 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ZINC000631418407 652523901 /nfs/dbraw/zinc/52/39/01/652523901.db2.gz HMFYCUPLWRUGAX-LBPRGKRZSA-N 1 1 379.448 2.265 20 0 GEADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ncsc1Br ZINC000584664149 652524853 /nfs/dbraw/zinc/52/48/53/652524853.db2.gz XZGHYAIMQRLGED-OLZOCXBDSA-N 1 1 396.310 2.271 20 0 GEADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccnc1I ZINC000757913636 652525152 /nfs/dbraw/zinc/52/51/52/652525152.db2.gz OEYTZTQIHLWMHF-UHFFFAOYSA-N 1 1 384.221 2.436 20 0 GEADMO C[NH+](C)CCN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000631642321 652529296 /nfs/dbraw/zinc/52/92/96/652529296.db2.gz CRBYXNHGZJECGS-NSHDSACASA-N 1 1 397.299 2.323 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000584781852 652529425 /nfs/dbraw/zinc/52/94/25/652529425.db2.gz QHDBWHWFQPCBOU-IIYDPXPESA-N 1 1 381.314 2.392 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000584781852 652529426 /nfs/dbraw/zinc/52/94/26/652529426.db2.gz QHDBWHWFQPCBOU-IIYDPXPESA-N 1 1 381.314 2.392 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(c3ncnc4ccc(Br)cc43)CC2)C1 ZINC000664600799 652531509 /nfs/dbraw/zinc/53/15/09/652531509.db2.gz KFLAKANCNVSXOS-CQSZACIVSA-N 1 1 377.286 2.428 20 0 GEADMO CC(C)(C)Oc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ncc1Br ZINC000664598831 652531574 /nfs/dbraw/zinc/53/15/74/652531574.db2.gz WOZWFYZDWRONHJ-CYBMUJFWSA-N 1 1 399.333 2.452 20 0 GEADMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000664604185 652531821 /nfs/dbraw/zinc/53/18/21/652531821.db2.gz CUNQIINWWDDPCU-UHFFFAOYSA-N 1 1 379.766 2.341 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000631785002 652533668 /nfs/dbraw/zinc/53/36/68/652533668.db2.gz KAOCOHRCWWNHDB-TUAOUCFPSA-N 1 1 380.436 2.454 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000631785563 652534020 /nfs/dbraw/zinc/53/40/20/652534020.db2.gz IRQFLYKOWOMTCZ-UHFFFAOYSA-N 1 1 376.404 2.359 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000631787933 652534056 /nfs/dbraw/zinc/53/40/56/652534056.db2.gz IZZHPZXNFFSJLO-CYBMUJFWSA-N 1 1 389.315 2.286 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000631787120 652534088 /nfs/dbraw/zinc/53/40/88/652534088.db2.gz AFMQIOQYQPPLOE-UHFFFAOYSA-N 1 1 386.945 2.402 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758237036 652534626 /nfs/dbraw/zinc/53/46/26/652534626.db2.gz VMGNGVARQMKOKU-MRXNPFEDSA-N 1 1 390.311 2.438 20 0 GEADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000631806242 652535696 /nfs/dbraw/zinc/53/56/96/652535696.db2.gz BPDSDKMEYBQGAK-UHFFFAOYSA-N 1 1 376.259 2.369 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664723140 652536853 /nfs/dbraw/zinc/53/68/53/652536853.db2.gz VTLQFALJWGVKCB-QGZVFWFLSA-N 1 1 396.329 2.498 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1Br ZINC000758335483 652537619 /nfs/dbraw/zinc/53/76/19/652537619.db2.gz PADJWYDYBHZGEA-ABAIWWIYSA-N 1 1 381.270 2.239 20 0 GEADMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337840 652537988 /nfs/dbraw/zinc/53/79/88/652537988.db2.gz SWILWVMZUPOGAG-QMTHXVAHSA-N 1 1 376.400 2.193 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337840 652537989 /nfs/dbraw/zinc/53/79/89/652537989.db2.gz SWILWVMZUPOGAG-QMTHXVAHSA-N 1 1 376.400 2.193 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000631941242 652542784 /nfs/dbraw/zinc/54/27/84/652542784.db2.gz RTEPEMHIDWLDQP-SNVBAGLBSA-N 1 1 382.349 2.199 20 0 GEADMO CN(C(=O)NCC[N@H+]1CCCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664958192 652544230 /nfs/dbraw/zinc/54/42/30/652544230.db2.gz KBWSFWAJNJJTGT-HNNXBMFYSA-N 1 1 390.311 2.391 20 0 GEADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000589232737 652562638 /nfs/dbraw/zinc/56/26/38/652562638.db2.gz ZEKANERPHVJXFJ-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cnc3c(Br)csc3c2)C1 ZINC000632431179 652563221 /nfs/dbraw/zinc/56/32/21/652563221.db2.gz VYBZREOCYHWWNQ-SECBINFHSA-N 1 1 390.328 2.289 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)C1 ZINC000632566705 652566885 /nfs/dbraw/zinc/56/68/85/652566885.db2.gz KEUCJSURDBEOHP-VXGBXAGGSA-N 1 1 379.448 2.094 20 0 GEADMO O=C(CC[NH+]1CCOCC1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000759609942 652579443 /nfs/dbraw/zinc/57/94/43/652579443.db2.gz YLTYBVXFUKPIPL-UHFFFAOYSA-N 1 1 375.296 2.427 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000759740899 652584872 /nfs/dbraw/zinc/58/48/72/652584872.db2.gz QXQFLCGRABYLSE-UHFFFAOYSA-N 1 1 386.949 2.316 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097484 652585300 /nfs/dbraw/zinc/58/53/00/652585300.db2.gz JAKKZMAKXVHTJU-HIFRSBDPSA-N 1 1 385.302 2.443 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097489 652585348 /nfs/dbraw/zinc/58/53/48/652585348.db2.gz JAKKZMAKXVHTJU-ZFWWWQNUSA-N 1 1 385.302 2.443 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633256330 652590052 /nfs/dbraw/zinc/59/00/52/652590052.db2.gz KCLPKDAPSJFJJT-DZJNRPSUSA-N 1 1 393.325 2.298 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633266744 652590490 /nfs/dbraw/zinc/59/04/90/652590490.db2.gz VHXSEILPQCCXTK-IKGGRYGDSA-N 1 1 394.313 2.109 20 0 GEADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195395 652590544 /nfs/dbraw/zinc/59/05/44/652590544.db2.gz KAPUASLVRPBGCF-GHMZBOCLSA-N 1 1 375.252 2.178 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000592199136 652590891 /nfs/dbraw/zinc/59/08/91/652590891.db2.gz XNKUGDGBYKXUMK-RTXFEEFZSA-N 1 1 389.279 2.026 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000592199136 652590899 /nfs/dbraw/zinc/59/08/99/652590899.db2.gz XNKUGDGBYKXUMK-RTXFEEFZSA-N 1 1 389.279 2.026 20 0 GEADMO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000667130777 652592853 /nfs/dbraw/zinc/59/28/53/652592853.db2.gz FDRKVRGVMWSOHH-YESZJQIVSA-N 1 1 396.329 2.231 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000592409826 652593985 /nfs/dbraw/zinc/59/39/85/652593985.db2.gz GLGZVDYJUCZFON-HOTGVXAUSA-N 1 1 383.286 2.129 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000633428684 652596766 /nfs/dbraw/zinc/59/67/66/652596766.db2.gz SEXFHHGMASIMPK-AWEZNQCLSA-N 1 1 378.274 2.169 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000633428684 652596771 /nfs/dbraw/zinc/59/67/71/652596771.db2.gz SEXFHHGMASIMPK-AWEZNQCLSA-N 1 1 378.274 2.169 20 0 GEADMO CC[C@H](NC(C)=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000633440934 652597052 /nfs/dbraw/zinc/59/70/52/652597052.db2.gz CVZFGYXGIURNPC-KRWDZBQOSA-N 1 1 396.329 2.444 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633442770 652597458 /nfs/dbraw/zinc/59/74/58/652597458.db2.gz DZNUZNBGNDNGGN-FQWUGETNSA-N 1 1 393.325 2.248 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633442770 652597461 /nfs/dbraw/zinc/59/74/61/652597461.db2.gz DZNUZNBGNDNGGN-FQWUGETNSA-N 1 1 393.325 2.248 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000592531289 652598686 /nfs/dbraw/zinc/59/86/86/652598686.db2.gz JRMCQVDHBNBTDY-HIFRSBDPSA-N 1 1 382.254 2.081 20 0 GEADMO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000667492966 652607803 /nfs/dbraw/zinc/60/78/03/652607803.db2.gz CIMFJUVMTPYIBT-AWEZNQCLSA-N 1 1 382.302 2.223 20 0 GEADMO Cc1c(Br)cncc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000667492966 652607806 /nfs/dbraw/zinc/60/78/06/652607806.db2.gz CIMFJUVMTPYIBT-AWEZNQCLSA-N 1 1 382.302 2.223 20 0 GEADMO O=C(C[N@H+]1CCCN(Cc2c(F)cncc2Br)CC1)N1CCCC1 ZINC000667497990 652608009 /nfs/dbraw/zinc/60/80/09/652608009.db2.gz VJZGEPCMZHTEAM-UHFFFAOYSA-N 1 1 399.308 2.113 20 0 GEADMO O=C(C[N@@H+]1CCCN(Cc2c(F)cncc2Br)CC1)N1CCCC1 ZINC000667497990 652608010 /nfs/dbraw/zinc/60/80/10/652608010.db2.gz VJZGEPCMZHTEAM-UHFFFAOYSA-N 1 1 399.308 2.113 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCCc2sccc2C1 ZINC000592985261 652611014 /nfs/dbraw/zinc/61/10/14/652611014.db2.gz VWEFDJZPZJOPII-LBPRGKRZSA-N 1 1 379.507 2.171 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCCc2sccc2C1 ZINC000592985261 652611017 /nfs/dbraw/zinc/61/10/17/652611017.db2.gz VWEFDJZPZJOPII-LBPRGKRZSA-N 1 1 379.507 2.171 20 0 GEADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCCc2sccc2C1 ZINC000592985260 652611110 /nfs/dbraw/zinc/61/11/10/652611110.db2.gz VWEFDJZPZJOPII-GFCCVEGCSA-N 1 1 379.507 2.171 20 0 GEADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCCc2sccc2C1 ZINC000592985260 652611114 /nfs/dbraw/zinc/61/11/14/652611114.db2.gz VWEFDJZPZJOPII-GFCCVEGCSA-N 1 1 379.507 2.171 20 0 GEADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667682248 652617523 /nfs/dbraw/zinc/61/75/23/652617523.db2.gz FDKDWPKMZWNRJF-NSHDSACASA-N 1 1 380.905 2.226 20 0 GEADMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnc(Cl)n1C ZINC000760605345 652617690 /nfs/dbraw/zinc/61/76/90/652617690.db2.gz YLYOKXBKPLOZSX-OAHLLOKOSA-N 1 1 382.917 2.359 20 0 GEADMO C[NH+](C)[C@@H](C(=O)NC[C@H](n1cncn1)C(F)(F)F)c1cccc(Cl)c1 ZINC000633982923 652624707 /nfs/dbraw/zinc/62/47/07/652624707.db2.gz ADOWUMQIGGSKTI-QWHCGFSZSA-N 1 1 375.782 2.454 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc1Cl ZINC000593617124 652628268 /nfs/dbraw/zinc/62/82/68/652628268.db2.gz WWWXFFUSIVLDQV-UHFFFAOYSA-N 1 1 376.906 2.383 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761078396 652631753 /nfs/dbraw/zinc/63/17/53/652631753.db2.gz OUJKEHUFIYRSRG-VXGBXAGGSA-N 1 1 387.265 2.254 20 0 GEADMO CN(C)c1[nH+]cc(CN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)n1C ZINC000761270083 652639969 /nfs/dbraw/zinc/63/99/69/652639969.db2.gz UPFJKQSLADWNMO-ZDUSSCGKSA-N 1 1 392.257 2.042 20 0 GEADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(I)cn1 ZINC000594198096 652642768 /nfs/dbraw/zinc/64/27/68/652642768.db2.gz RTZGGNZCWWAEEV-JSGCOSHPSA-N 1 1 385.249 2.433 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(I)cn1 ZINC000594198097 652643000 /nfs/dbraw/zinc/64/30/00/652643000.db2.gz RTZGGNZCWWAEEV-OCCSQVGLSA-N 1 1 385.249 2.433 20 0 GEADMO CCc1cc(NC(=O)c2sc3c(c2I)C[NH2+]C3)n[nH]1 ZINC000602605662 652643052 /nfs/dbraw/zinc/64/30/52/652643052.db2.gz ZDRVRDUETWCBDD-UHFFFAOYSA-N 1 1 388.234 2.494 20 0 GEADMO C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(I)s2)C1 ZINC000594262307 652643714 /nfs/dbraw/zinc/64/37/14/652643714.db2.gz AWQZWVOCGAJEKG-JTQLQIEISA-N 1 1 378.279 2.353 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668596881 652650703 /nfs/dbraw/zinc/65/07/03/652650703.db2.gz NVOPYMMACIPKNE-WPKBUWHJSA-N 1 1 397.313 2.431 20 0 GEADMO CCN(C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1)[C@H]1CC[N@@H+](C)C1 ZINC000668610882 652652978 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CC[S@](=O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775504100 653315044 /nfs/dbraw/zinc/31/50/44/653315044.db2.gz SLEZLSGBUWQINT-BUXKBTBVSA-N 1 1 380.329 2.026 20 0 GEADMO C[N@@H+](CC(=O)NCc1ccco1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775562758 653317082 /nfs/dbraw/zinc/31/70/82/653317082.db2.gz KHYGUSIAIDYQFT-HNNXBMFYSA-N 1 1 385.233 2.463 20 0 GEADMO C[N@H+](CC(=O)NCc1ccco1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775562758 653317091 /nfs/dbraw/zinc/31/70/91/653317091.db2.gz KHYGUSIAIDYQFT-HNNXBMFYSA-N 1 1 385.233 2.463 20 0 GEADMO Cn1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(Br)n1 ZINC000712459602 653323833 /nfs/dbraw/zinc/32/38/33/653323833.db2.gz PTXFMQUZASCIKY-INIZCTEOSA-N 1 1 379.302 2.173 20 0 GEADMO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000810117838 653327083 /nfs/dbraw/zinc/32/70/83/653327083.db2.gz VRECJXDSLQPSCI-MRXNPFEDSA-N 1 1 399.310 2.262 20 0 GEADMO Cc1cnc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000836089780 653329865 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C[C@@H](SC1=NCCS1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000821166007 653791981 /nfs/dbraw/zinc/79/19/81/653791981.db2.gz NLEHCIVGHSZAQO-CQSZACIVSA-N 1 1 379.551 2.360 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000866379945 653792115 /nfs/dbraw/zinc/79/21/15/653792115.db2.gz VWALJQXKDBYPFQ-NVXWUHKLSA-N 1 1 385.555 2.355 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000866379945 653792116 /nfs/dbraw/zinc/79/21/16/653792116.db2.gz VWALJQXKDBYPFQ-NVXWUHKLSA-N 1 1 385.555 2.355 20 0 GEADMO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N=[S@](C)(=O)CC ZINC000866420299 653794112 /nfs/dbraw/zinc/79/41/12/653794112.db2.gz NSCGAYXYWFSCHD-JOCHJYFZSA-N 1 1 381.589 2.254 20 0 GEADMO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866420300 653794125 /nfs/dbraw/zinc/79/41/25/653794125.db2.gz NSCGAYXYWFSCHD-QFIPXVFZSA-N 1 1 381.589 2.254 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2C1 ZINC000821328646 653794787 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IJJMNKWKQSVIOV-XYPYZODXSA-N 1 1 378.288 2.132 20 0 GEADMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000883380181 653838092 /nfs/dbraw/zinc/83/80/92/653838092.db2.gz CIOWMPSTIKMUJH-XYPYZODXSA-N 1 1 383.226 2.096 20 0 GEADMO Nc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565736 653840932 /nfs/dbraw/zinc/84/09/32/653840932.db2.gz XFNNIPDIUWHDPS-SFYZADRCSA-N 1 1 384.378 2.100 20 0 GEADMO COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000883474680 653841745 /nfs/dbraw/zinc/84/17/45/653841745.db2.gz BHEDESSBBWGCEK-MRXNPFEDSA-N 1 1 381.885 2.220 20 0 GEADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)cc(Br)c1F ZINC000822931061 653846430 /nfs/dbraw/zinc/84/64/30/653846430.db2.gz JPGFYTQSYOSQOO-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)cc(Br)c1F ZINC000822931061 653846432 /nfs/dbraw/zinc/84/64/32/653846432.db2.gz JPGFYTQSYOSQOO-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO CCO/C=C/[C@](O)(C[NH2+]Cc1c(Br)c(C)nn1C)C(F)(F)F ZINC000895714170 653847416 /nfs/dbraw/zinc/84/74/16/653847416.db2.gz RFQGFNWNQCGCRW-FYJFLYSWSA-N 1 1 386.212 2.424 20 0 GEADMO Cc1[nH]nc(I)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000895853153 653852738 /nfs/dbraw/zinc/85/27/38/653852738.db2.gz DLVBZPSETXUJPQ-VHSXEESVSA-N 1 1 390.269 2.173 20 0 GEADMO CC[N@@H+]1CCN(C(=O)c2cnn(C(C)C)c2I)C[C@H]1C ZINC000866948753 653853538 /nfs/dbraw/zinc/85/35/38/653853538.db2.gz JSQPMBQCXBGOGW-LLVKDONJSA-N 1 1 390.269 2.235 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2cnn(C(C)C)c2I)C[C@H]1C ZINC000866948753 653853540 /nfs/dbraw/zinc/85/35/40/653853540.db2.gz JSQPMBQCXBGOGW-LLVKDONJSA-N 1 1 390.269 2.235 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866963310 653856387 /nfs/dbraw/zinc/85/63/87/653856387.db2.gz SIYJNAOGIXFENW-NTNODYOTSA-N 1 1 387.571 2.095 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866963310 653856390 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CN(C)c1cc[nH+]c(N[C@@H](CO)c2ccccc2I)n1 ZINC000897559386 653927029 /nfs/dbraw/zinc/92/70/29/653927029.db2.gz VEWGYBJFMWCLJV-LBPRGKRZSA-N 1 1 384.221 2.293 20 0 GEADMO CO[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000847409975 653927475 /nfs/dbraw/zinc/92/74/75/653927475.db2.gz XQFVOKFJKJPISW-XEZPLFJOSA-N 1 1 383.286 2.116 20 0 GEADMO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897565693 653927837 /nfs/dbraw/zinc/92/78/37/653927837.db2.gz RXCOJEAJHWBBQY-KSSFIOAISA-N 1 1 381.314 2.202 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cnc(Cl)c(Br)c1 ZINC000847479842 653930397 /nfs/dbraw/zinc/93/03/97/653930397.db2.gz CFRXVBITBZUYGF-UHFFFAOYSA-N 1 1 389.725 2.207 20 0 GEADMO CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000825625167 653935753 /nfs/dbraw/zinc/93/57/53/653935753.db2.gz HJAPIHDSJOGTPT-JSGCOSHPSA-N 1 1 380.286 2.475 20 0 GEADMO CCOc1cccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1OC(F)F ZINC000897831941 653939483 /nfs/dbraw/zinc/93/94/83/653939483.db2.gz 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ZINC000852217627 654226051 /nfs/dbraw/zinc/22/60/51/654226051.db2.gz ITBRGVFUTYBJNU-SFHVURJKSA-N 1 1 391.265 2.017 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000852217627 654226055 /nfs/dbraw/zinc/22/60/55/654226055.db2.gz ITBRGVFUTYBJNU-SFHVURJKSA-N 1 1 391.265 2.017 20 0 GEADMO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(F)cc1Br ZINC000903208502 654227128 /nfs/dbraw/zinc/22/71/28/654227128.db2.gz OSOCVWBLYCTKHI-LLVKDONJSA-N 1 1 377.279 2.365 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000903230211 654230209 /nfs/dbraw/zinc/23/02/09/654230209.db2.gz XDRKJLQNJKWGQC-MRXNPFEDSA-N 1 1 386.539 2.036 20 0 GEADMO O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000852307478 654231312 /nfs/dbraw/zinc/23/13/12/654231312.db2.gz ZBFUXARNWTUKSK-SXBQZSJRSA-N 1 1 383.480 2.394 20 0 GEADMO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000871397605 654233180 /nfs/dbraw/zinc/23/31/80/654233180.db2.gz WHGJPGSLFHNMFM-JOYOIKCWSA-N 1 1 375.288 2.277 20 0 GEADMO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000871397605 654233186 /nfs/dbraw/zinc/23/31/86/654233186.db2.gz WHGJPGSLFHNMFM-JOYOIKCWSA-N 1 1 375.288 2.277 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903325175 654234358 /nfs/dbraw/zinc/23/43/58/654234358.db2.gz JZKRJZFLILPTIE-SOUVJXGZSA-N 1 1 379.302 2.314 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903325175 654234362 /nfs/dbraw/zinc/23/43/62/654234362.db2.gz JZKRJZFLILPTIE-SOUVJXGZSA-N 1 1 379.302 2.314 20 0 GEADMO COc1cc([C@@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)ccn1 ZINC000903326535 654234378 /nfs/dbraw/zinc/23/43/78/654234378.db2.gz QZVSHIDSPWNFFA-NOZJJQNGSA-N 1 1 377.242 2.462 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852356097 654235441 /nfs/dbraw/zinc/23/54/41/654235441.db2.gz UFXZYPBVUGAFLZ-OAHLLOKOSA-N 1 1 376.284 2.048 20 0 GEADMO CO[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2Br)CCS(=O)(=O)C1 ZINC000903368538 654237189 /nfs/dbraw/zinc/23/71/89/654237189.db2.gz OOWXHEQDNLMYQS-HZMBPMFUSA-N 1 1 380.279 2.443 20 0 GEADMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852430002 654238358 /nfs/dbraw/zinc/23/83/58/654238358.db2.gz DFCCGCYNSDQZKQ-WFASDCNBSA-N 1 1 396.285 2.153 20 0 GEADMO C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852430002 654238364 /nfs/dbraw/zinc/23/83/64/654238364.db2.gz DFCCGCYNSDQZKQ-WFASDCNBSA-N 1 1 396.285 2.153 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000802736449 654238536 /nfs/dbraw/zinc/23/85/36/654238536.db2.gz KPLJXCXYDRKXBY-CYBMUJFWSA-N 1 1 390.285 2.366 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000802736449 654238540 /nfs/dbraw/zinc/23/85/40/654238540.db2.gz KPLJXCXYDRKXBY-CYBMUJFWSA-N 1 1 390.285 2.366 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000802738662 654238928 /nfs/dbraw/zinc/23/89/28/654238928.db2.gz OCGHQFMIEADHQL-ZDUSSCGKSA-N 1 1 396.329 2.139 20 0 GEADMO COC(=O)c1ncn(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000921187366 654239452 /nfs/dbraw/zinc/23/94/52/654239452.db2.gz CXNPQVRFFCXTEQ-CQSZACIVSA-N 1 1 379.258 2.492 20 0 GEADMO O=C1OCCN1[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438697 654239735 /nfs/dbraw/zinc/23/97/35/654239735.db2.gz VSEKXZDEHSVRAT-GJZGRUSLSA-N 1 1 394.269 2.081 20 0 GEADMO O=C1OCCN1[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438697 654239745 /nfs/dbraw/zinc/23/97/45/654239745.db2.gz VSEKXZDEHSVRAT-GJZGRUSLSA-N 1 1 394.269 2.081 20 0 GEADMO O=C1OCCN1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438698 654239847 /nfs/dbraw/zinc/23/98/47/654239847.db2.gz VSEKXZDEHSVRAT-HUUCEWRRSA-N 1 1 394.269 2.081 20 0 GEADMO O=C1OCCN1[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000852438698 654239853 /nfs/dbraw/zinc/23/98/53/654239853.db2.gz VSEKXZDEHSVRAT-HUUCEWRRSA-N 1 1 394.269 2.081 20 0 GEADMO C[C@@H](c1ncc(Br)cn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506697 654242719 /nfs/dbraw/zinc/24/27/19/654242719.db2.gz DWKHUUBPWVBRID-VBNZEHGJSA-N 1 1 380.334 2.201 20 0 GEADMO C[C@@H](c1ncc(Br)cn1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506697 654242726 /nfs/dbraw/zinc/24/27/26/654242726.db2.gz DWKHUUBPWVBRID-VBNZEHGJSA-N 1 1 380.334 2.201 20 0 GEADMO O=S(=O)(Cc1cccc2cccnc21)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323753 654248399 /nfs/dbraw/zinc/24/83/99/654248399.db2.gz MUVCBELMTLJZCW-IRXDYDNUSA-N 1 1 377.535 2.234 20 0 GEADMO O=S(=O)(Cc1cccc2cccnc21)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323753 654248401 /nfs/dbraw/zinc/24/84/01/654248401.db2.gz MUVCBELMTLJZCW-IRXDYDNUSA-N 1 1 377.535 2.234 20 0 GEADMO CC(C)COC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000852801374 654260859 /nfs/dbraw/zinc/26/08/59/654260859.db2.gz YVFXZUUFBYVWFB-HNNXBMFYSA-N 1 1 398.301 2.386 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1ccccc1Br ZINC000852805529 654261189 /nfs/dbraw/zinc/26/11/89/654261189.db2.gz BZQIHGXHKXAEFS-CXAGYDPISA-N 1 1 394.313 2.452 20 0 GEADMO CCc1c(NC(=O)C2=NO[C@@H](C[NH3+])C2)[nH]nc1-c1ccc(Br)cc1 ZINC000852839053 654262769 /nfs/dbraw/zinc/26/27/69/654262769.db2.gz VWEYGVMMJXJUFS-LLVKDONJSA-N 1 1 392.257 2.444 20 0 GEADMO COC(=O)c1cc2nc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)[nH]c2c(Br)c1 ZINC000891092500 654263479 /nfs/dbraw/zinc/26/34/79/654263479.db2.gz HVQNTKRHABTYQE-VIFPVBQESA-N 1 1 395.257 2.392 20 0 GEADMO COC(=O)c1cc2[nH]c(NC(=O)C[C@@H]3CC[N@H+](C)C3)nc2c(Br)c1 ZINC000891092500 654263482 /nfs/dbraw/zinc/26/34/82/654263482.db2.gz HVQNTKRHABTYQE-VIFPVBQESA-N 1 1 395.257 2.392 20 0 GEADMO COC(=O)c1cc2[nH]c(NC(=O)C[C@@H]3CC[N@@H+](C)C3)nc2c(Br)c1 ZINC000891092500 654263485 /nfs/dbraw/zinc/26/34/85/654263485.db2.gz HVQNTKRHABTYQE-VIFPVBQESA-N 1 1 395.257 2.392 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1Br ZINC000852854982 654263804 /nfs/dbraw/zinc/26/38/04/654263804.db2.gz DMDKGWBOUUEARE-DYEKYZERSA-N 1 1 375.213 2.379 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921436700 654267147 /nfs/dbraw/zinc/26/71/47/654267147.db2.gz ZYTKDJHECSCZHC-BXUZGUMPSA-N 1 1 394.317 2.400 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(C(=S)NCc3ccc(Br)cc3)CC2)C1 ZINC000853043847 654274022 /nfs/dbraw/zinc/27/40/22/654274022.db2.gz PHDYKPMRZDFUPW-MRXNPFEDSA-N 1 1 398.370 2.355 20 0 GEADMO C[C@@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000871895631 654274111 /nfs/dbraw/zinc/27/41/11/654274111.db2.gz VQHOQASSOTZIMU-SMDDNHRTSA-N 1 1 376.507 2.114 20 0 GEADMO CC(C)c1[nH+]ccn1CCNS(=O)(=O)Cc1ncsc1Br ZINC000921528791 654278515 /nfs/dbraw/zinc/27/85/15/654278515.db2.gz WTPZIYWEYCODRY-UHFFFAOYSA-N 1 1 393.332 2.345 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1Cl ZINC000921545059 654279487 /nfs/dbraw/zinc/27/94/87/654279487.db2.gz UJEUONGRQLETJT-UHFFFAOYSA-N 1 1 382.917 2.456 20 0 GEADMO Brc1ccc(N2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903767429 654282351 /nfs/dbraw/zinc/28/23/51/654282351.db2.gz XIUWRSZPMSQSOD-MSOLQXFVSA-N 1 1 380.330 2.340 20 0 GEADMO CCCN(C(=O)C(=O)Nc1ccc(C)nc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000832743016 654292904 /nfs/dbraw/zinc/29/29/04/654292904.db2.gz RNZGVBSIZOFIDO-LBPRGKRZSA-N 1 1 383.290 2.034 20 0 GEADMO C[C@@H]1CN(C(=O)c2cccnc2I)CC[N@H+](C2CC2)C1 ZINC000832950328 654301470 /nfs/dbraw/zinc/30/14/70/654301470.db2.gz XUMSIKFNIHDWFQ-NSHDSACASA-N 1 1 385.249 2.243 20 0 GEADMO S=c1n(-c2cccc(Cl)c2)cnn1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853553010 654303094 /nfs/dbraw/zinc/30/30/94/654303094.db2.gz LQMYMDXAVUMEFA-INIZCTEOSA-N 1 1 379.917 2.421 20 0 GEADMO COCC[NH+]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000891624713 654303449 /nfs/dbraw/zinc/30/34/49/654303449.db2.gz FHBQIIWBXZNPKN-UHFFFAOYSA-N 1 1 397.321 2.112 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1Cl ZINC000921681991 654304059 /nfs/dbraw/zinc/30/40/59/654304059.db2.gz AVOBMNHZZCZZOM-UHFFFAOYSA-N 1 1 384.933 2.500 20 0 GEADMO CC[N@@H+]1CCN(C(=O)c2ccc3ncc(I)n3c2)[C@@H](C)C1 ZINC000804381656 654307866 /nfs/dbraw/zinc/30/78/66/654307866.db2.gz QZHKNUACMMXJIM-NSHDSACASA-N 1 1 398.248 2.105 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2ccc3ncc(I)n3c2)[C@@H](C)C1 ZINC000804381656 654307870 /nfs/dbraw/zinc/30/78/70/654307870.db2.gz QZHKNUACMMXJIM-NSHDSACASA-N 1 1 398.248 2.105 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000804591821 654314612 /nfs/dbraw/zinc/31/46/12/654314612.db2.gz JSGQVZLLIJZJFI-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO C[C@]1(c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)C[NH2+]CCO1 ZINC000872178312 654315531 /nfs/dbraw/zinc/31/55/31/654315531.db2.gz NOYXBGPNPOMDHT-CQSZACIVSA-N 1 1 392.264 2.185 20 0 GEADMO CCOC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)on1 ZINC000872229389 654317894 /nfs/dbraw/zinc/31/78/94/654317894.db2.gz QFYZXPONUKFJJY-GFCCVEGCSA-N 1 1 399.241 2.143 20 0 GEADMO O[C@@H](C[NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Br)cc1 ZINC000872221778 654318062 /nfs/dbraw/zinc/31/80/62/654318062.db2.gz JVAVSYDWCDTFLP-AWEZNQCLSA-N 1 1 381.274 2.284 20 0 GEADMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)C1 ZINC000891923616 654318497 /nfs/dbraw/zinc/31/84/97/654318497.db2.gz PONGZIGQNPEXJB-CVYDXHPNSA-N 1 1 386.378 2.472 20 0 GEADMO Cn1ncc(I)c1C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000872241497 654319014 /nfs/dbraw/zinc/31/90/14/654319014.db2.gz DHLGVQCJNFQVJO-ZDUSSCGKSA-N 1 1 393.175 2.126 20 0 GEADMO Oc1cc(Br)cnc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000891950028 654319944 /nfs/dbraw/zinc/31/99/44/654319944.db2.gz YXSXHIXWTTYSIZ-NSHDSACASA-N 1 1 378.274 2.467 20 0 GEADMO Oc1cc(Br)cnc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000891950028 654319951 /nfs/dbraw/zinc/31/99/51/654319951.db2.gz YXSXHIXWTTYSIZ-NSHDSACASA-N 1 1 378.274 2.467 20 0 GEADMO O=C(NCc1ccc(Br)s1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892006901 654323526 /nfs/dbraw/zinc/32/35/26/654323526.db2.gz ASBGWNMVPGUBJA-CHWSQXEVSA-N 1 1 388.331 2.251 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000853838103 654324710 /nfs/dbraw/zinc/32/47/10/654324710.db2.gz DZDSABJKTFFRHM-IUODEOHRSA-N 1 1 394.313 2.287 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CCN1C(=O)c2ccc(Br)cc2S1(=O)=O ZINC000804919986 654324927 /nfs/dbraw/zinc/32/49/27/654324927.db2.gz IANYQAGKOITXCW-GFCCVEGCSA-N 1 1 387.299 2.468 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851341 654325591 /nfs/dbraw/zinc/32/55/91/654325591.db2.gz WYHKGFHMDWZZJR-BLLLJJGKSA-N 1 1 394.313 2.145 20 0 GEADMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(Br)cc1NC(C)=O ZINC000892045366 654326534 /nfs/dbraw/zinc/32/65/34/654326534.db2.gz WDUWWOXDSKNGRF-UHFFFAOYSA-N 1 1 387.274 2.419 20 0 GEADMO CC(=O)OCCCS(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000804948852 654327644 /nfs/dbraw/zinc/32/76/44/654327644.db2.gz COBYZPWNOAKWSH-QGZVFWFLSA-N 1 1 388.917 2.350 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@H](C)C1 ZINC000805005778 654333532 /nfs/dbraw/zinc/33/35/32/654333532.db2.gz UESZKNARZITXEK-HIFRSBDPSA-N 1 1 389.949 2.459 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@H](C)C1 ZINC000805005779 654333669 /nfs/dbraw/zinc/33/36/69/654333669.db2.gz UESZKNARZITXEK-UKRRQHHQSA-N 1 1 389.949 2.459 20 0 GEADMO C[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000853973301 654333810 /nfs/dbraw/zinc/33/38/10/654333810.db2.gz BWNZRCRGIZGTND-OLXKUKDPSA-N 1 1 383.480 2.250 20 0 GEADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ncc(Cl)s2)CC1 ZINC000834558325 654335035 /nfs/dbraw/zinc/33/50/35/654335035.db2.gz VBQHOFWEDCGKAP-UHFFFAOYSA-N 1 1 388.921 2.356 20 0 GEADMO O[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173959 654335874 /nfs/dbraw/zinc/33/58/74/654335874.db2.gz IOWXNIBPJNWJKC-KURKYZTESA-N 1 1 383.330 2.450 20 0 GEADMO O[C@@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173959 654335880 /nfs/dbraw/zinc/33/58/80/654335880.db2.gz IOWXNIBPJNWJKC-KURKYZTESA-N 1 1 383.330 2.450 20 0 GEADMO O[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173960 654335983 /nfs/dbraw/zinc/33/59/83/654335983.db2.gz IOWXNIBPJNWJKC-SQNIBIBYSA-N 1 1 383.330 2.450 20 0 GEADMO O[C@@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000905173960 654335991 /nfs/dbraw/zinc/33/59/91/654335991.db2.gz IOWXNIBPJNWJKC-SQNIBIBYSA-N 1 1 383.330 2.450 20 0 GEADMO Cc1ccc(NCCNS(=O)(=O)Cc2ncsc2Br)[nH+]c1 ZINC000921872109 654336123 /nfs/dbraw/zinc/33/61/23/654336123.db2.gz CKDRJCOJTJMXBX-UHFFFAOYSA-N 1 1 391.316 2.141 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCNc1ccc(C)c[nH+]1 ZINC000921872425 654336410 /nfs/dbraw/zinc/33/64/10/654336410.db2.gz HKJXHUYNUQTBBR-UHFFFAOYSA-N 1 1 383.857 2.220 20 0 GEADMO COc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1Cl ZINC000921912226 654340876 /nfs/dbraw/zinc/34/08/76/654340876.db2.gz WJIAQCQVHJPYLI-CQSZACIVSA-N 1 1 388.917 2.189 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000921912233 654340937 /nfs/dbraw/zinc/34/09/37/654340937.db2.gz WKQRXRXHGSYZDJ-HNFVBEJKSA-N 1 1 384.464 2.280 20 0 GEADMO COCC[N@H+]1CC[C@H](Nc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892414248 654345088 /nfs/dbraw/zinc/34/50/88/654345088.db2.gz QZFIZYBUVAHLNY-NSHDSACASA-N 1 1 397.321 2.476 20 0 GEADMO Cc1nc(SCC(C)C)sc1CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000854278340 654347370 /nfs/dbraw/zinc/34/73/70/654347370.db2.gz VAXZEFVLJFQYFM-UHFFFAOYSA-N 1 1 384.615 2.496 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892524281 654349758 /nfs/dbraw/zinc/34/97/58/654349758.db2.gz LTGSHHWFKBCIDZ-KGLIPLIRSA-N 1 1 386.949 2.473 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892524279 654349795 /nfs/dbraw/zinc/34/97/95/654349795.db2.gz LTGSHHWFKBCIDZ-KBPBESRZSA-N 1 1 386.949 2.473 20 0 GEADMO COc1cc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(Br)c1OC ZINC000892556000 654351202 /nfs/dbraw/zinc/35/12/02/654351202.db2.gz YLNMFHXVJCDEKD-GXTWGEPZSA-N 1 1 398.301 2.312 20 0 GEADMO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872487465 654353502 /nfs/dbraw/zinc/35/35/02/654353502.db2.gz VXNRNQUKOKOYOL-QHCPKHFHSA-N 1 1 379.548 2.174 20 0 GEADMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872487465 654353504 /nfs/dbraw/zinc/35/35/04/654353504.db2.gz VXNRNQUKOKOYOL-QHCPKHFHSA-N 1 1 379.548 2.174 20 0 GEADMO Cc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(Br)c1 ZINC000854353828 654355009 /nfs/dbraw/zinc/35/50/09/654355009.db2.gz HAKYQOWIDUIORP-JFDDCEBESA-N 1 1 378.314 2.277 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1nc2ccc(Cl)cc2n1C ZINC000834889857 654355251 /nfs/dbraw/zinc/35/52/51/654355251.db2.gz KKKTXTBKBNRLCP-GFCCVEGCSA-N 1 1 385.917 2.471 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NCc2cnn(CCF)c2)CC1 ZINC000905415208 654355838 /nfs/dbraw/zinc/35/58/38/654355838.db2.gz ZRKSDKQIOGNYIZ-UHFFFAOYSA-N 1 1 397.296 2.374 20 0 GEADMO Cc1nc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)sc1Br ZINC000922028897 654357396 /nfs/dbraw/zinc/35/73/96/654357396.db2.gz IURCJCUYWSQLOL-UHFFFAOYSA-N 1 1 398.330 2.066 20 0 GEADMO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000922041984 654358480 /nfs/dbraw/zinc/35/84/80/654358480.db2.gz KOBBCNUKIILSLB-GFCCVEGCSA-N 1 1 383.491 2.382 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Br)n2)C1 ZINC000872503703 654358949 /nfs/dbraw/zinc/35/89/49/654358949.db2.gz RZJSTCNZLMCNLL-NSHDSACASA-N 1 1 376.320 2.243 20 0 GEADMO COc1cc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cnc1Br ZINC000854571818 654367502 /nfs/dbraw/zinc/36/75/02/654367502.db2.gz YDKIAKZYGXQBRA-LBPRGKRZSA-N 1 1 398.301 2.178 20 0 GEADMO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589191 654369076 /nfs/dbraw/zinc/36/90/76/654369076.db2.gz DJHNYDUXSHKLJI-UHFFFAOYSA-N 1 1 377.794 2.087 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000892891159 654369418 /nfs/dbraw/zinc/36/94/18/654369418.db2.gz AFWPTTLRUIWGGE-GFCCVEGCSA-N 1 1 385.306 2.228 20 0 GEADMO O=C(OCC[NH+]1CCSCC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000835211619 654371359 /nfs/dbraw/zinc/37/13/59/654371359.db2.gz CZMGVKORQAAJKL-UHFFFAOYSA-N 1 1 386.901 2.498 20 0 GEADMO Cn1nc2c(c1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1)COCC2 ZINC000922143401 654371574 /nfs/dbraw/zinc/37/15/74/654371574.db2.gz JVAFIAVWOPUKOA-HNNXBMFYSA-N 1 1 384.249 2.218 20 0 GEADMO C[NH+]1CCN([C@@H](C(=O)NCc2cc(Br)no2)c2ccccc2)CC1 ZINC000854707496 654376794 /nfs/dbraw/zinc/37/67/94/654376794.db2.gz VIHXIOIOONMWIZ-MRXNPFEDSA-N 1 1 393.285 2.042 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)Br)nc1 ZINC000854743134 654380386 /nfs/dbraw/zinc/38/03/86/654380386.db2.gz JFUSXYKQSLAVMW-GFCCVEGCSA-N 1 1 392.244 2.102 20 0 GEADMO CO[C@]1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCSC1 ZINC000905855712 654385544 /nfs/dbraw/zinc/38/55/44/654385544.db2.gz TUUFDLXUYZJEOL-OCCSQVGLSA-N 1 1 377.279 2.226 20 0 GEADMO O=C(NCC[NH+]1CCC(O)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000854850001 654385845 /nfs/dbraw/zinc/38/58/45/654385845.db2.gz BZFGYXSCVFGLFV-UHFFFAOYSA-N 1 1 377.229 2.114 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872662109 654386755 /nfs/dbraw/zinc/38/67/55/654386755.db2.gz BQWXHKDKBGRFPV-KGLIPLIRSA-N 1 1 389.315 2.315 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1Br ZINC000872666557 654387754 /nfs/dbraw/zinc/38/77/54/654387754.db2.gz VTZKOAZDCRPRCY-KBPBESRZSA-N 1 1 389.315 2.315 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(F)cc1Br ZINC000872666659 654388194 /nfs/dbraw/zinc/38/81/94/654388194.db2.gz XVZZJRQRYRBTTO-OLZOCXBDSA-N 1 1 377.279 2.445 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854954848 654390989 /nfs/dbraw/zinc/39/09/89/654390989.db2.gz LAYHWCLTSGDHJQ-WDEREUQCSA-N 1 1 392.244 2.053 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854954848 654390991 /nfs/dbraw/zinc/39/09/91/654390991.db2.gz LAYHWCLTSGDHJQ-WDEREUQCSA-N 1 1 392.244 2.053 20 0 GEADMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)n[nH]1 ZINC000922407871 654391041 /nfs/dbraw/zinc/39/10/41/654391041.db2.gz SSUWRFKEGXHGGT-IAQYHMDHSA-N 1 1 384.889 2.037 20 0 GEADMO COc1cc(NC(=O)c2cc(Br)n[nH]2)ccc1OCC[NH+](C)C ZINC000854956973 654391435 /nfs/dbraw/zinc/39/14/35/654391435.db2.gz BQAFCDGOYDMVIZ-UHFFFAOYSA-N 1 1 383.246 2.374 20 0 GEADMO Brc1cnn(CN2CC[NH+](CCc3cnccn3)CC2)c1C1CC1 ZINC000872700689 654392075 /nfs/dbraw/zinc/39/20/75/654392075.db2.gz OAOIJMYVOHAGFB-UHFFFAOYSA-N 1 1 391.317 2.131 20 0 GEADMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cnn(-c2ccccn2)c(=O)c1Br ZINC000872779682 654395318 /nfs/dbraw/zinc/39/53/18/654395318.db2.gz RIEPABHTUBMEJQ-STQMWFEESA-N 1 1 390.285 2.063 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cnn(-c2ccccn2)c(=O)c1Br ZINC000872779682 654395321 /nfs/dbraw/zinc/39/53/21/654395321.db2.gz RIEPABHTUBMEJQ-STQMWFEESA-N 1 1 390.285 2.063 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2nccn2CC(F)(F)F)CCC1 ZINC000922476069 654396612 /nfs/dbraw/zinc/39/66/12/654396612.db2.gz ZPPXTTGMVYQXCJ-UHFFFAOYSA-N 1 1 382.452 2.176 20 0 GEADMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(Br)cn1 ZINC000922485420 654396996 /nfs/dbraw/zinc/39/69/96/654396996.db2.gz XOOCTHYYJIUIJP-UHFFFAOYSA-N 1 1 384.299 2.053 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000922492227 654397071 /nfs/dbraw/zinc/39/70/71/654397071.db2.gz LUIYAPFLQFRMOF-UHFFFAOYSA-N 1 1 375.903 2.035 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000922492153 654397076 /nfs/dbraw/zinc/39/70/76/654397076.db2.gz JNYWUOGOLWQCNU-UHFFFAOYSA-N 1 1 390.474 2.446 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1csc(I)n1 ZINC000855162849 654399035 /nfs/dbraw/zinc/39/90/35/654399035.db2.gz OEOAWOQPIUUZRO-MRVPVSSYSA-N 1 1 379.267 2.350 20 0 GEADMO Cn1c(C[NH2+]C(C)(C)CNS(C)(=O)=O)nc2cc(C(F)(F)F)ccc21 ZINC000922636856 654405283 /nfs/dbraw/zinc/40/52/83/654405283.db2.gz JYXSKMWLHVJIMU-UHFFFAOYSA-N 1 1 378.420 2.010 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922709375 654408710 /nfs/dbraw/zinc/40/87/10/654408710.db2.gz MDYOVWFRHKKQCU-QUEVPRLRSA-N 1 1 378.344 2.349 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000855289037 654410467 /nfs/dbraw/zinc/41/04/67/654410467.db2.gz NEEIANLUEMHOKR-GFCCVEGCSA-N 1 1 393.289 2.027 20 0 GEADMO Fc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1I ZINC000873044873 654411913 /nfs/dbraw/zinc/41/19/13/654411913.db2.gz XQMSSORSGFZAJA-QWHCGFSZSA-N 1 1 390.240 2.383 20 0 GEADMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000855346245 654414196 /nfs/dbraw/zinc/41/41/96/654414196.db2.gz SWVZGMIZBCZFIA-LRDDRELGSA-N 1 1 376.328 2.415 20 0 GEADMO COC(=O)C[C@]1([NH2+]Cc2cccc(F)c2I)CCOC1 ZINC000873107062 654415648 /nfs/dbraw/zinc/41/56/48/654415648.db2.gz XQLQWSXOWAYGIL-CQSZACIVSA-N 1 1 393.196 2.242 20 0 GEADMO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000922827630 654415660 /nfs/dbraw/zinc/41/56/60/654415660.db2.gz SYHMODOBINKFSA-SNVBAGLBSA-N 1 1 392.955 2.443 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)c2nscc2I)C1 ZINC000906172852 654420063 /nfs/dbraw/zinc/42/00/63/654420063.db2.gz NDDFJCZLXCSAJR-VIFPVBQESA-N 1 1 379.267 2.209 20 0 GEADMO Brc1ccccc1-n1cc(C[NH2+]CCOC2CCOCC2)nn1 ZINC000922933662 654420602 /nfs/dbraw/zinc/42/06/02/654420602.db2.gz KSQCWWZAHDBDQC-UHFFFAOYSA-N 1 1 381.274 2.315 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nscc1I ZINC000906241360 654423667 /nfs/dbraw/zinc/42/36/67/654423667.db2.gz UUHPOWLRJVSNOY-RKDXNWHRSA-N 1 1 377.251 2.104 20 0 GEADMO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000923019949 654425227 /nfs/dbraw/zinc/42/52/27/654425227.db2.gz DWJGNBRNGHRIRW-LBPRGKRZSA-N 1 1 380.242 2.345 20 0 GEADMO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000923019949 654425230 /nfs/dbraw/zinc/42/52/30/654425230.db2.gz DWJGNBRNGHRIRW-LBPRGKRZSA-N 1 1 380.242 2.345 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000893870145 654427879 /nfs/dbraw/zinc/42/78/79/654427879.db2.gz TXWQEUFRJFWLFQ-JTQLQIEISA-N 1 1 390.269 2.067 20 0 GEADMO 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O=C(c1ccnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164791217 721419295 /nfs/dbraw/zinc/41/92/95/721419295.db2.gz ZUELZGQFOCAMFP-CALCHBBNSA-N 1 1 383.521 2.342 20 0 GEADMO O=C(c1ccnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164791217 721419298 /nfs/dbraw/zinc/41/92/98/721419298.db2.gz ZUELZGQFOCAMFP-CALCHBBNSA-N 1 1 383.521 2.342 20 0 GEADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1C ZINC001164790200 721423805 /nfs/dbraw/zinc/42/38/05/721423805.db2.gz XFLJUCSFOUJBBU-TXEJJXNPSA-N 1 1 389.916 2.350 20 0 GEADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1C ZINC001164790200 721423808 /nfs/dbraw/zinc/42/38/08/721423808.db2.gz XFLJUCSFOUJBBU-TXEJJXNPSA-N 1 1 389.916 2.350 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(C(F)F)n4)C3)O2)CC1 ZINC001164890801 721428754 /nfs/dbraw/zinc/42/87/54/721428754.db2.gz FWOJYRHBELWZCH-DNVCBOLYSA-N 1 1 381.471 2.180 20 0 GEADMO CCSc1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 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QFDIULNXHLTGSP-BJLQDIEVSA-N 1 1 382.464 2.131 20 0 GEADMO COC(=O)c1cccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164794878 721528119 /nfs/dbraw/zinc/52/81/19/721528119.db2.gz IUMXYYYZIANJKK-CMKODMSKSA-N 1 1 382.464 2.131 20 0 GEADMO COC(=O)c1cccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794884 721528599 /nfs/dbraw/zinc/52/85/99/721528599.db2.gz IUMXYYYZIANJKK-WSTZPKSXSA-N 1 1 382.464 2.131 20 0 GEADMO COc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164796177 721528614 /nfs/dbraw/zinc/52/86/14/721528614.db2.gz XIAOEMQTMNIYHA-VKJFTORMSA-N 1 1 389.887 2.402 20 0 GEADMO COc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164796177 721528617 /nfs/dbraw/zinc/52/86/17/721528617.db2.gz XIAOEMQTMNIYHA-VKJFTORMSA-N 1 1 389.887 2.402 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cnccc32)[C@H]2CCCO[C@@H]12 ZINC001164801602 721536233 /nfs/dbraw/zinc/53/62/33/721536233.db2.gz FWCSXYIYDXUNQW-XUVXKRRUSA-N 1 1 376.464 2.288 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C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3cccnc3n2)[C@H]2CCCO[C@H]12 ZINC001164799566 721557561 /nfs/dbraw/zinc/55/75/61/721557561.db2.gz CMXZNORUSNISSE-OTWHNJEPSA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3cccnc3n2)[C@H]2CCCO[C@H]12 ZINC001164799566 721557564 /nfs/dbraw/zinc/55/75/64/721557564.db2.gz CMXZNORUSNISSE-OTWHNJEPSA-N 1 1 376.464 2.288 20 0 GEADMO Cc1noc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164800096 721585751 /nfs/dbraw/zinc/58/57/51/721585751.db2.gz BWCMNFOJYRIAPQ-BQFCYCMXSA-N 1 1 380.452 2.189 20 0 GEADMO Cc1noc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164800096 721585754 /nfs/dbraw/zinc/58/57/54/721585754.db2.gz BWCMNFOJYRIAPQ-BQFCYCMXSA-N 1 1 380.452 2.189 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nccnc2Cl)CC1 ZINC001165009275 721743362 /nfs/dbraw/zinc/74/33/62/721743362.db2.gz AXQMLYZLUKBZOB-UHFFFAOYSA-N 1 1 387.862 2.198 20 0 GEADMO c1cc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2o1 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2.467 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000179370517 532229628 /nfs/dbraw/zinc/22/96/28/532229628.db2.gz YSNIRTBSQJRQAF-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1nccs1 ZINC000179414750 532230720 /nfs/dbraw/zinc/23/07/20/532230720.db2.gz OTFRUVCJAJKCPJ-DZGCQCFKSA-N 1 1 381.523 2.451 20 0 GEADMO COc1nc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ncc1Br ZINC000179261503 532226559 /nfs/dbraw/zinc/22/65/59/532226559.db2.gz IBMRICOQJDCJRU-ZIAGYGMSSA-N 1 1 393.285 2.295 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000133738140 532241333 /nfs/dbraw/zinc/24/13/33/532241333.db2.gz FKNLPVYBLXHOFV-IAGOWNOFSA-N 1 1 384.567 2.423 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000179758189 532243286 /nfs/dbraw/zinc/24/32/86/532243286.db2.gz CZLBZMFRMNDQPG-UHFFFAOYSA-N 1 1 395.301 2.244 20 0 GEADMO C[N@H+](CCCO)C1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000179758189 532243288 /nfs/dbraw/zinc/24/32/88/532243288.db2.gz CZLBZMFRMNDQPG-UHFFFAOYSA-N 1 1 395.301 2.244 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000179758189 532243292 /nfs/dbraw/zinc/24/32/92/532243292.db2.gz CZLBZMFRMNDQPG-UHFFFAOYSA-N 1 1 395.301 2.244 20 0 GEADMO Brc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc2c1OCCO2 ZINC000179930230 532250569 /nfs/dbraw/zinc/25/05/69/532250569.db2.gz FZYYPUOUKOSJCE-AWEZNQCLSA-N 1 1 397.313 2.374 20 0 GEADMO Brc1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc2c1OCCO2 ZINC000179930230 532250574 /nfs/dbraw/zinc/25/05/74/532250574.db2.gz FZYYPUOUKOSJCE-AWEZNQCLSA-N 1 1 397.313 2.374 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179559649 532236345 /nfs/dbraw/zinc/23/63/45/532236345.db2.gz AICFLUZLODYVCJ-LBPRGKRZSA-N 1 1 397.317 2.409 20 0 GEADMO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1csc(Br)c1 ZINC000180599783 532275452 /nfs/dbraw/zinc/27/54/52/532275452.db2.gz VYQIDLQDYMCRQS-LBPRGKRZSA-N 1 1 390.347 2.493 20 0 GEADMO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1csc(Br)c1 ZINC000180599783 532275456 /nfs/dbraw/zinc/27/54/56/532275456.db2.gz VYQIDLQDYMCRQS-LBPRGKRZSA-N 1 1 390.347 2.493 20 0 GEADMO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000180612532 532276272 /nfs/dbraw/zinc/27/62/72/532276272.db2.gz JKHXDEHCDIGONE-INIZCTEOSA-N 1 1 388.295 2.008 20 0 GEADMO O=C(CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000135666516 532278047 /nfs/dbraw/zinc/27/80/47/532278047.db2.gz YFLKIDWDQYVSNB-INIZCTEOSA-N 1 1 385.917 2.169 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1ccccc1Cl ZINC000135687760 532279201 /nfs/dbraw/zinc/27/92/01/532279201.db2.gz DJQFHGFNXBYNMJ-CQSZACIVSA-N 1 1 385.917 2.169 20 0 GEADMO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000180744689 532279329 /nfs/dbraw/zinc/27/93/29/532279329.db2.gz JTYHEVJMRRRDRX-HIFRSBDPSA-N 1 1 390.933 2.488 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H](C)C1 ZINC000180830164 532282562 /nfs/dbraw/zinc/28/25/62/532282562.db2.gz NBBJGLXKWLJNCS-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H](C)C1 ZINC000180830164 532282567 /nfs/dbraw/zinc/28/25/67/532282567.db2.gz NBBJGLXKWLJNCS-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccccc2Br)[C@@H](C)C1 ZINC000180854653 532283323 /nfs/dbraw/zinc/28/33/23/532283323.db2.gz PYOBGHIZPAVIMJ-ZDUSSCGKSA-N 1 1 398.301 2.228 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccccc2Br)[C@@H](C)C1 ZINC000180854653 532283328 /nfs/dbraw/zinc/28/33/28/532283328.db2.gz PYOBGHIZPAVIMJ-ZDUSSCGKSA-N 1 1 398.301 2.228 20 0 GEADMO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000180884698 532284362 /nfs/dbraw/zinc/28/43/62/532284362.db2.gz LQJQFTFTXMARLK-LBPRGKRZSA-N 1 1 383.539 2.224 20 0 GEADMO CC(=O)N[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000136843369 532287342 /nfs/dbraw/zinc/28/73/42/532287342.db2.gz ZIWDTDOJMKDSII-GFCCVEGCSA-N 1 1 382.302 2.054 20 0 GEADMO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000180471171 532273178 /nfs/dbraw/zinc/27/31/78/532273178.db2.gz ANXJJXGAPNVHTH-CYBMUJFWSA-N 1 1 379.295 2.493 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181322575 532295917 /nfs/dbraw/zinc/29/59/17/532295917.db2.gz BLDROSLPMXZDBV-NSHDSACASA-N 1 1 399.289 2.254 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cn1 ZINC000181335771 532296116 /nfs/dbraw/zinc/29/61/16/532296116.db2.gz ZGFGVQOSNJAWQJ-IKGGRYGDSA-N 1 1 389.297 2.459 20 0 GEADMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cc(Br)cn3)CC2)c1 ZINC000144402021 532297100 /nfs/dbraw/zinc/29/71/00/532297100.db2.gz HXMAMFKVJWOOPM-UHFFFAOYSA-N 1 1 377.286 2.298 20 0 GEADMO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181394086 532297161 /nfs/dbraw/zinc/29/71/61/532297161.db2.gz BOLTZTWIOPBHPS-OAHLLOKOSA-N 1 1 380.290 2.352 20 0 GEADMO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2Br)C1 ZINC000181518967 532300323 /nfs/dbraw/zinc/30/03/23/532300323.db2.gz FXFXTRSYUOJWET-CQSZACIVSA-N 1 1 396.329 2.401 20 0 GEADMO COc1ccc(CCC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000150728356 532301472 /nfs/dbraw/zinc/30/14/72/532301472.db2.gz YZRZLGPDQVNNOC-AWEZNQCLSA-N 1 1 399.329 2.475 20 0 GEADMO CS(=O)(=O)C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000181779223 532306541 /nfs/dbraw/zinc/30/65/41/532306541.db2.gz KWOWIPFVQQWAIS-SFHVURJKSA-N 1 1 381.519 2.226 20 0 GEADMO CN1CC[NH+](CCCNC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000181800464 532306936 /nfs/dbraw/zinc/30/69/36/532306936.db2.gz LBRVJMOJBCPFFR-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO CN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000151197233 532307823 /nfs/dbraw/zinc/30/78/23/532307823.db2.gz JEJWJPWPDSBPHV-AWEZNQCLSA-N 1 1 385.555 2.089 20 0 GEADMO CN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000151197233 532307824 /nfs/dbraw/zinc/30/78/24/532307824.db2.gz JEJWJPWPDSBPHV-AWEZNQCLSA-N 1 1 385.555 2.089 20 0 GEADMO O=C(CC(=O)Nc1ccccc1C[NH+]1CCSCC1)NCC(F)(F)F ZINC000181942474 532308099 /nfs/dbraw/zinc/30/80/99/532308099.db2.gz FXSPZKBTRKNCIF-UHFFFAOYSA-N 1 1 375.416 2.243 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cnc1Br ZINC000182681614 532316699 /nfs/dbraw/zinc/31/66/99/532316699.db2.gz IGDVZZNBYWAVGO-GFCCVEGCSA-N 1 1 383.290 2.082 20 0 GEADMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC[N@H+]1C ZINC000182961885 532320156 /nfs/dbraw/zinc/32/01/56/532320156.db2.gz ZKKVECNAGRPQAG-VXGBXAGGSA-N 1 1 381.420 2.126 20 0 GEADMO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(Br)cc1F ZINC000183129467 532321778 /nfs/dbraw/zinc/32/17/78/532321778.db2.gz STKYGOJLADJGBR-JVHMLUBASA-N 1 1 381.242 2.289 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000183325002 532323664 /nfs/dbraw/zinc/32/36/64/532323664.db2.gz JSVDDSDZWRDJTC-UHFFFAOYSA-N 1 1 388.281 2.234 20 0 GEADMO Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)c(=O)n(C)c1=O ZINC000185647749 532338351 /nfs/dbraw/zinc/33/83/51/532338351.db2.gz FVTUKHUSGVBTOF-HNNXBMFYSA-N 1 1 396.260 2.323 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)c(=O)n(C)c1=O ZINC000185647749 532338352 /nfs/dbraw/zinc/33/83/52/532338352.db2.gz FVTUKHUSGVBTOF-HNNXBMFYSA-N 1 1 396.260 2.323 20 0 GEADMO O=S(=O)(c1c(F)cccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000185660144 532338365 /nfs/dbraw/zinc/33/83/65/532338365.db2.gz SYTUEWXKEAAZKE-UHFFFAOYSA-N 1 1 376.881 2.212 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000187233963 532343711 /nfs/dbraw/zinc/34/37/11/532343711.db2.gz UCNROGOKVJKNOE-UHFFFAOYSA-N 1 1 378.698 2.216 20 0 GEADMO COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000186212381 532340154 /nfs/dbraw/zinc/34/01/54/532340154.db2.gz AHTFYQKVDXGMOC-ZDUSSCGKSA-N 1 1 384.523 2.220 20 0 GEADMO CCC[C@@H](CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000186527564 532341152 /nfs/dbraw/zinc/34/11/52/532341152.db2.gz CMPUBZOZPBQYBM-QEJZJMRPSA-N 1 1 389.323 2.421 20 0 GEADMO CCC[C@@H](CNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000186527564 532341153 /nfs/dbraw/zinc/34/11/53/532341153.db2.gz CMPUBZOZPBQYBM-QEJZJMRPSA-N 1 1 389.323 2.421 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000186813336 532342037 /nfs/dbraw/zinc/34/20/37/532342037.db2.gz HACIAAPUKLGOLG-LLVKDONJSA-N 1 1 388.249 2.323 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000186898607 532342492 /nfs/dbraw/zinc/34/24/92/532342492.db2.gz NYHAKGFIOJQBSQ-LLVKDONJSA-N 1 1 387.322 2.213 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000186894662 532342547 /nfs/dbraw/zinc/34/25/47/532342547.db2.gz KYWQQDMNXKJDSC-NSHDSACASA-N 1 1 399.285 2.095 20 0 GEADMO CC[NH+]1CCN(CCCNCc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187121824 532343216 /nfs/dbraw/zinc/34/32/16/532343216.db2.gz SZLONEGSVKCTQY-UHFFFAOYSA-N 1 1 387.977 2.251 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187144347 532343389 /nfs/dbraw/zinc/34/33/89/532343389.db2.gz YTZUOZMLTPTVLY-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183707008 532327678 /nfs/dbraw/zinc/32/76/78/532327678.db2.gz GJTVKWUYPKNNKW-LLVKDONJSA-N 1 1 396.285 2.194 20 0 GEADMO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183767172 532328815 /nfs/dbraw/zinc/32/88/15/532328815.db2.gz XKLHVXXKNQDTFI-HNNXBMFYSA-N 1 1 377.535 2.166 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183748809 532328854 /nfs/dbraw/zinc/32/88/54/532328854.db2.gz TZVDEECXLDZEQI-UHFFFAOYSA-N 1 1 384.274 2.242 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)CSc1ccc(Br)cc1C ZINC000183984853 532330472 /nfs/dbraw/zinc/33/04/72/532330472.db2.gz UNUYJDWFZTVAJD-UHFFFAOYSA-N 1 1 375.332 2.280 20 0 GEADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000184335512 532332339 /nfs/dbraw/zinc/33/23/39/532332339.db2.gz PVBZSKDCGJOOCQ-UHFFFAOYSA-N 1 1 375.705 2.239 20 0 GEADMO COc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)sc1Br ZINC000184383087 532332717 /nfs/dbraw/zinc/33/27/17/532332717.db2.gz YFWBEXSIOQUNOK-NSHDSACASA-N 1 1 390.347 2.275 20 0 GEADMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(F)cc(Br)cc1F ZINC000184396766 532332737 /nfs/dbraw/zinc/33/27/37/532332737.db2.gz GYXVRKLFJLIIDF-NSHDSACASA-N 1 1 390.272 2.483 20 0 GEADMO C[N@@H+](CCOCCO)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347719 532360559 /nfs/dbraw/zinc/36/05/59/532360559.db2.gz ZXAIYIPATXKEOJ-UHFFFAOYSA-N 1 1 376.291 2.040 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000188579366 532348610 /nfs/dbraw/zinc/34/86/10/532348610.db2.gz KQQLKNYCJMPOHS-UHFFFAOYSA-N 1 1 384.322 2.334 20 0 GEADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000188579366 532348611 /nfs/dbraw/zinc/34/86/11/532348611.db2.gz KQQLKNYCJMPOHS-UHFFFAOYSA-N 1 1 384.322 2.334 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189361753 532351873 /nfs/dbraw/zinc/35/18/73/532351873.db2.gz UYRVHVMXSXXBPJ-LLVKDONJSA-N 1 1 379.810 2.296 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)c1cccs1 ZINC000189358655 532351935 /nfs/dbraw/zinc/35/19/35/532351935.db2.gz HEPVOMQGSFBTFN-MRXNPFEDSA-N 1 1 380.535 2.448 20 0 GEADMO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCCOCC1 ZINC000189455176 532352215 /nfs/dbraw/zinc/35/22/15/532352215.db2.gz RYNIQPIRCXORHR-GFCCVEGCSA-N 1 1 389.265 2.194 20 0 GEADMO C[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)s1)CN1CC[NH+](C)CC1 ZINC000189491250 532352384 /nfs/dbraw/zinc/35/23/84/532352384.db2.gz XXGFYXJGEWPXRU-GFCCVEGCSA-N 1 1 381.933 2.405 20 0 GEADMO CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@H](O)C(F)(F)F ZINC000189514097 532352581 /nfs/dbraw/zinc/35/25/81/532352581.db2.gz DGXXPLQKQRPPAR-AAEUAGOBSA-N 1 1 386.208 2.434 20 0 GEADMO CCC[C@@H]1CN(C[C@H](O)CC(F)(F)F)CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000189709264 532353304 /nfs/dbraw/zinc/35/33/04/532353304.db2.gz HMXDNCXLXLRUSI-JHJVBQTASA-N 1 1 380.373 2.399 20 0 GEADMO CCC[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCN1C[C@H](O)CC(F)(F)F ZINC000189709264 532353305 /nfs/dbraw/zinc/35/33/05/532353305.db2.gz HMXDNCXLXLRUSI-JHJVBQTASA-N 1 1 380.373 2.399 20 0 GEADMO CCC[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCN1C[C@H](O)CC(F)(F)F ZINC000189709264 532353306 /nfs/dbraw/zinc/35/33/06/532353306.db2.gz HMXDNCXLXLRUSI-JHJVBQTASA-N 1 1 380.373 2.399 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@H+]1CC(C)(C)O ZINC000189877076 532353964 /nfs/dbraw/zinc/35/39/64/532353964.db2.gz RUUIYNMJSDEWIV-ZDUSSCGKSA-N 1 1 384.318 2.165 20 0 GEADMO CCOc1c(Br)cc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1OC ZINC000190246006 532355278 /nfs/dbraw/zinc/35/52/78/532355278.db2.gz LFEMNCLSTKBNJI-CYBMUJFWSA-N 1 1 387.318 2.355 20 0 GEADMO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC(F)(F)C[NH3+] ZINC000190232895 532355384 /nfs/dbraw/zinc/35/53/84/532355384.db2.gz IQTVDFGTRPKHNP-NSHDSACASA-N 1 1 380.482 2.061 20 0 GEADMO CCC(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000190282955 532355500 /nfs/dbraw/zinc/35/55/00/532355500.db2.gz HOCBUBWUTHUMQD-UHFFFAOYSA-N 1 1 382.302 2.374 20 0 GEADMO Nc1cc(N)[nH+]c(S[C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000190833175 532358144 /nfs/dbraw/zinc/35/81/44/532358144.db2.gz DOPINFYVVYWKSZ-JTQLQIEISA-N 1 1 380.271 2.301 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187389162 532344290 /nfs/dbraw/zinc/34/42/90/532344290.db2.gz PVLHLSIGJYYRIU-LBPRGKRZSA-N 1 1 387.311 2.074 20 0 GEADMO C[C@@H](CNC(=O)c1cc(Br)ncc1Cl)C[NH+]1CCOCC1 ZINC000187566733 532344863 /nfs/dbraw/zinc/34/48/63/532344863.db2.gz AYJCQDWHFJUMEN-JTQLQIEISA-N 1 1 376.682 2.196 20 0 GEADMO O=S(=O)(NCC[NH+]1CCCC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000191860121 532372178 /nfs/dbraw/zinc/37/21/78/532372178.db2.gz LTGMRSFYRXBXFJ-CQSZACIVSA-N 1 1 388.917 2.129 20 0 GEADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463420420 532372733 /nfs/dbraw/zinc/37/27/33/532372733.db2.gz SISWGKVVQXTSRW-LLVKDONJSA-N 1 1 379.306 2.518 20 0 GEADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463420420 532372739 /nfs/dbraw/zinc/37/27/39/532372739.db2.gz SISWGKVVQXTSRW-LLVKDONJSA-N 1 1 379.306 2.518 20 0 GEADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000677646923 532378646 /nfs/dbraw/zinc/37/86/46/532378646.db2.gz COGGRUSGCIUZJG-HZPDHXFCSA-N 1 1 381.314 2.468 20 0 GEADMO COC(=O)c1cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c(C)cc1Br ZINC000590551057 532375554 /nfs/dbraw/zinc/37/55/54/532375554.db2.gz VKWSEZQLTHIHNO-GFCCVEGCSA-N 1 1 399.285 2.451 20 0 GEADMO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677566632 532376860 /nfs/dbraw/zinc/37/68/60/532376860.db2.gz SUXZNWDLEOMHRH-HNNXBMFYSA-N 1 1 385.277 2.454 20 0 GEADMO C[C@H]1COCC[N@@H+]1CCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000191415590 532360915 /nfs/dbraw/zinc/36/09/15/532360915.db2.gz SFEWSMJJMTWMLU-AWEZNQCLSA-N 1 1 388.375 2.349 20 0 GEADMO C[C@H]1COCC[N@H+]1CCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000191415590 532360916 /nfs/dbraw/zinc/36/09/16/532360916.db2.gz SFEWSMJJMTWMLU-AWEZNQCLSA-N 1 1 388.375 2.349 20 0 GEADMO C[C@H]1COCCN1CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000191415590 532360917 /nfs/dbraw/zinc/36/09/17/532360917.db2.gz SFEWSMJJMTWMLU-AWEZNQCLSA-N 1 1 388.375 2.349 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589929594 532364135 /nfs/dbraw/zinc/36/41/35/532364135.db2.gz KZOYCIBQOLIQKY-NOZJJQNGSA-N 1 1 393.292 2.105 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589929600 532364209 /nfs/dbraw/zinc/36/42/09/532364209.db2.gz KZOYCIBQOLIQKY-TVQRCGJNSA-N 1 1 393.292 2.105 20 0 GEADMO CC[N@@H+]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)[C@H](C)C1 ZINC000557527574 532366058 /nfs/dbraw/zinc/36/60/58/532366058.db2.gz WQSOBXKAWYGGDG-LLVKDONJSA-N 1 1 378.270 2.457 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)[C@H](C)C1 ZINC000557527574 532366065 /nfs/dbraw/zinc/36/60/65/532366065.db2.gz WQSOBXKAWYGGDG-LLVKDONJSA-N 1 1 378.270 2.457 20 0 GEADMO Cc1cc(I)ccc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590012863 532366473 /nfs/dbraw/zinc/36/64/73/532366473.db2.gz ZXXJCIYWDJZEBP-SWLSCSKDSA-N 1 1 399.276 2.174 20 0 GEADMO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590012862 532366853 /nfs/dbraw/zinc/36/68/53/532366853.db2.gz ZXXJCIYWDJZEBP-IUODEOHRSA-N 1 1 399.276 2.174 20 0 GEADMO OC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)CCC1(F)F ZINC000463227280 532370129 /nfs/dbraw/zinc/37/01/29/532370129.db2.gz FMJQEUBRAXFKKC-AAEUAGOBSA-N 1 1 380.229 2.138 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)c1scc(C)c1I ZINC000191827821 532370510 /nfs/dbraw/zinc/37/05/10/532370510.db2.gz TUSVXPHSUZQQRK-UHFFFAOYSA-N 1 1 396.294 2.359 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000557745314 532371580 /nfs/dbraw/zinc/37/15/80/532371580.db2.gz OXHLSIJTUFGGLN-ZDUSSCGKSA-N 1 1 396.289 2.286 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677648708 532379243 /nfs/dbraw/zinc/37/92/43/532379243.db2.gz KUYVUBWFRPTATL-CYBMUJFWSA-N 1 1 385.302 2.132 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677648642 532379379 /nfs/dbraw/zinc/37/93/79/532379379.db2.gz IHNMAPJBRQTFOD-ZDUSSCGKSA-N 1 1 385.302 2.132 20 0 GEADMO COc1ccc(CCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1Br ZINC000647707679 532380069 /nfs/dbraw/zinc/38/00/69/532380069.db2.gz BNICGGILNDBYJZ-CABCVRRESA-N 1 1 397.313 2.058 20 0 GEADMO CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707625 532380239 /nfs/dbraw/zinc/38/02/39/532380239.db2.gz AURBWDZLHSPYTD-HZPDHXFCSA-N 1 1 381.314 2.394 20 0 GEADMO O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000647708164 532380558 /nfs/dbraw/zinc/38/05/58/532380558.db2.gz JNODYIOOGNJMOF-JKSUJKDBSA-N 1 1 379.298 2.148 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000372297147 532381288 /nfs/dbraw/zinc/38/12/88/532381288.db2.gz YTUAMYLDLFDOGI-ZDUSSCGKSA-N 1 1 392.253 2.075 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000372297147 532381291 /nfs/dbraw/zinc/38/12/91/532381291.db2.gz YTUAMYLDLFDOGI-ZDUSSCGKSA-N 1 1 392.253 2.075 20 0 GEADMO CC(=O)NC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192072204 532382745 /nfs/dbraw/zinc/38/27/45/532382745.db2.gz BDUKGIPLYRLQJR-INIZCTEOSA-N 1 1 380.286 2.155 20 0 GEADMO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000516318667 532383784 /nfs/dbraw/zinc/38/37/84/532383784.db2.gz SHCQOOIDFGFIPW-STQMWFEESA-N 1 1 396.336 2.490 20 0 GEADMO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000516318667 532383794 /nfs/dbraw/zinc/38/37/94/532383794.db2.gz SHCQOOIDFGFIPW-STQMWFEESA-N 1 1 396.336 2.490 20 0 GEADMO Cc1c(Br)cccc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000463813376 532383985 /nfs/dbraw/zinc/38/39/85/532383985.db2.gz ZJRRWADOTSXDPU-INIZCTEOSA-N 1 1 394.313 2.136 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000677890598 532384951 /nfs/dbraw/zinc/38/49/51/532384951.db2.gz AOUXEPFJBCOKSW-CQSZACIVSA-N 1 1 382.302 2.007 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905144 532385116 /nfs/dbraw/zinc/38/51/16/532385116.db2.gz FFONOYSOQMLBJN-OLZOCXBDSA-N 1 1 377.457 2.124 20 0 GEADMO O[C@@H](C[NH2+]Cc1ncc(Br)cc1F)COc1ccc2c(c1)OCO2 ZINC000623375526 532388040 /nfs/dbraw/zinc/38/80/40/532388040.db2.gz RSDPSTSZPTUVJI-NSHDSACASA-N 1 1 399.216 2.241 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)C1 ZINC000372379509 532388424 /nfs/dbraw/zinc/38/84/24/532388424.db2.gz ZKJLICBQNIZIHM-MRXNPFEDSA-N 1 1 398.320 2.369 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@H]2C1 ZINC000279250733 532391907 /nfs/dbraw/zinc/39/19/07/532391907.db2.gz VJTHHHNJCXLELW-BETUJISGSA-N 1 1 375.270 2.473 20 0 GEADMO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)C[C@H]2C1 ZINC000279250733 532391914 /nfs/dbraw/zinc/39/19/14/532391914.db2.gz VJTHHHNJCXLELW-BETUJISGSA-N 1 1 375.270 2.473 20 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/nfs/dbraw/zinc/39/42/10/532394210.db2.gz LRRYCOXVAKZTIR-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO COc1cc(Cl)c(Br)cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000192216164 532394613 /nfs/dbraw/zinc/39/46/13/532394613.db2.gz WPZSJVWPXIMIPN-JTQLQIEISA-N 1 1 391.693 2.250 20 0 GEADMO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000372545533 532397694 /nfs/dbraw/zinc/39/76/94/532397694.db2.gz MQRATSYGTSHHRF-CYBMUJFWSA-N 1 1 387.267 2.371 20 0 GEADMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000372545533 532397702 /nfs/dbraw/zinc/39/77/02/532397702.db2.gz MQRATSYGTSHHRF-CYBMUJFWSA-N 1 1 387.267 2.371 20 0 GEADMO COCC[N@@H+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1C ZINC000279725151 532399775 /nfs/dbraw/zinc/39/97/75/532399775.db2.gz BQNXTQCCLQWXJC-GFCCVEGCSA-N 1 1 395.301 2.198 20 0 GEADMO COCC[N@H+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1C ZINC000279725151 532399778 /nfs/dbraw/zinc/39/97/78/532399778.db2.gz BQNXTQCCLQWXJC-GFCCVEGCSA-N 1 1 395.301 2.198 20 0 GEADMO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678627262 532399905 /nfs/dbraw/zinc/39/99/05/532399905.db2.gz CLWZTRXORIRLJC-CABCVRRESA-N 1 1 375.296 2.140 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cc(C)ncn1 ZINC000648489724 532400696 /nfs/dbraw/zinc/40/06/96/532400696.db2.gz JMHVLMATWIFUEP-GFCCVEGCSA-N 1 1 393.285 2.351 20 0 GEADMO O[C@H](C[NH2+]C[C@@H](O)CN1CCCCC1)COc1ccc(Cl)cc1Cl ZINC000516970525 532400752 /nfs/dbraw/zinc/40/07/52/532400752.db2.gz RPWHTTJZKBDBCU-HUUCEWRRSA-N 1 1 377.312 2.170 20 0 GEADMO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678627263 532399131 /nfs/dbraw/zinc/39/91/31/532399131.db2.gz CLWZTRXORIRLJC-GJZGRUSLSA-N 1 1 375.296 2.140 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)[C@H]2C1 ZINC000559439618 532402869 /nfs/dbraw/zinc/40/28/69/532402869.db2.gz KJUVDMMLFFBDFF-CJNGLKHVSA-N 1 1 381.929 2.101 20 0 GEADMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cn1 ZINC000279738131 532401889 /nfs/dbraw/zinc/40/18/89/532401889.db2.gz WXCUGQDLIWIQDP-STQMWFEESA-N 1 1 399.333 2.392 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)C1 ZINC000426029585 532401903 /nfs/dbraw/zinc/40/19/03/532401903.db2.gz QKCQLGCFJNBSNY-MAUKXSAKSA-N 1 1 396.329 2.438 20 0 GEADMO Cn1cc([C@@H]2C[N@H+](Cc3nn(C)cc3Br)CC23CCOCC3)cn1 ZINC000295088593 532402087 /nfs/dbraw/zinc/40/20/87/532402087.db2.gz FSASYPGXXQBCET-AWEZNQCLSA-N 1 1 394.317 2.312 20 0 GEADMO Cn1cc([C@@H]2C[N@@H+](Cc3nn(C)cc3Br)CC23CCOCC3)cn1 ZINC000295088593 532402089 /nfs/dbraw/zinc/40/20/89/532402089.db2.gz FSASYPGXXQBCET-AWEZNQCLSA-N 1 1 394.317 2.312 20 0 GEADMO COc1c(Br)ccc(F)c1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000648842092 532405056 /nfs/dbraw/zinc/40/50/56/532405056.db2.gz DQTRWDGDJJNHIX-UHFFFAOYSA-N 1 1 389.265 2.126 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000372723376 532405135 /nfs/dbraw/zinc/40/51/35/532405135.db2.gz HJEGKZJEDXMLSO-LBPRGKRZSA-N 1 1 380.286 2.459 20 0 GEADMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000464860126 532405704 /nfs/dbraw/zinc/40/57/04/532405704.db2.gz YOXZRZRFXZEUST-CQSZACIVSA-N 1 1 387.571 2.339 20 0 GEADMO C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000679689931 532407110 /nfs/dbraw/zinc/40/71/10/532407110.db2.gz ITYYFJLGUYBFLF-DZGCQCFKSA-N 1 1 376.444 2.376 20 0 GEADMO Cc1ccc(CNC(=O)NCc2n[nH]cc2Br)c(N2CCCC2)[nH+]1 ZINC000679697163 532407157 /nfs/dbraw/zinc/40/71/57/532407157.db2.gz PKHOLAZWOFJTIB-UHFFFAOYSA-N 1 1 393.289 2.475 20 0 GEADMO COC(=O)c1ccc(CN[C@@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000295128921 532406142 /nfs/dbraw/zinc/40/61/42/532406142.db2.gz OHEMRAOKQOLVTH-OAHLLOKOSA-N 1 1 385.302 2.172 20 0 GEADMO COC(=O)c1ccc(CN[C@@H]2CCC[N@@H+](CCCO)C2)c(Br)c1 ZINC000295128921 532406147 /nfs/dbraw/zinc/40/61/47/532406147.db2.gz OHEMRAOKQOLVTH-OAHLLOKOSA-N 1 1 385.302 2.172 20 0 GEADMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000464860125 532406354 /nfs/dbraw/zinc/40/63/54/532406354.db2.gz YOXZRZRFXZEUST-AWEZNQCLSA-N 1 1 387.571 2.339 20 0 GEADMO Cc1cc(Br)c(F)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000625110888 532409582 /nfs/dbraw/zinc/40/95/82/532409582.db2.gz GRLSQOROSUCZHF-UHFFFAOYSA-N 1 1 377.279 2.437 20 0 GEADMO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000648918445 532409758 /nfs/dbraw/zinc/40/97/58/532409758.db2.gz WJSXUOLKSYIGOY-NSHDSACASA-N 1 1 389.265 2.173 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C1CC1 ZINC000280225413 532409856 /nfs/dbraw/zinc/40/98/56/532409856.db2.gz LQZPUFYWVUIFMO-UHFFFAOYSA-N 1 1 390.228 2.266 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000517237741 532409863 /nfs/dbraw/zinc/40/98/63/532409863.db2.gz PQECSCRXYKINPG-LLVKDONJSA-N 1 1 392.244 2.026 20 0 GEADMO C[C@@H](Cn1cc(Br)ccc1=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000559895417 532408593 /nfs/dbraw/zinc/40/85/93/532408593.db2.gz QPIWUXWULSYZRU-HNNXBMFYSA-N 1 1 398.345 2.234 20 0 GEADMO COc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000679749698 532408798 /nfs/dbraw/zinc/40/87/98/532408798.db2.gz FYGGTQWVSYPTNI-IAQYHMDHSA-N 1 1 393.285 2.475 20 0 GEADMO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(Br)cn1 ZINC000280231387 532408939 /nfs/dbraw/zinc/40/89/39/532408939.db2.gz AMCLLOZIWHITFD-LBPRGKRZSA-N 1 1 398.301 2.297 20 0 GEADMO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280252860 532411935 /nfs/dbraw/zinc/41/19/35/532411935.db2.gz BQSDNVQTGLJHIW-SWLSCSKDSA-N 1 1 398.301 2.439 20 0 GEADMO C[N@H+]1C[C@@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)[C@H](c2ccccc2)C1 ZINC000649102682 532412438 /nfs/dbraw/zinc/41/24/38/532412438.db2.gz HEMLMECBUJFJEO-ZBFHGGJFSA-N 1 1 378.519 2.227 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000517321140 532412726 /nfs/dbraw/zinc/41/27/26/532412726.db2.gz VJWFTUWOFMHBQI-SCRDCRAPSA-N 1 1 377.348 2.413 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000517321140 532412732 /nfs/dbraw/zinc/41/27/32/532412732.db2.gz VJWFTUWOFMHBQI-SCRDCRAPSA-N 1 1 377.348 2.413 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)CN(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000517321140 532412740 /nfs/dbraw/zinc/41/27/40/532412740.db2.gz VJWFTUWOFMHBQI-SCRDCRAPSA-N 1 1 377.348 2.413 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3sccc3Br)CC2)C1 ZINC000648954168 532410853 /nfs/dbraw/zinc/41/08/53/532410853.db2.gz HIHXEULNHLDJLQ-CYBMUJFWSA-N 1 1 386.359 2.292 20 0 GEADMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1Cl ZINC000648939688 532410946 /nfs/dbraw/zinc/41/09/46/532410946.db2.gz LRBXYWCJBVUGPW-AWEZNQCLSA-N 1 1 386.323 2.438 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc4cccnc43)C[C@@H]21 ZINC000517290651 532413651 /nfs/dbraw/zinc/41/36/51/532413651.db2.gz HVRNOCCZQXYKKL-OCCSQVGLSA-N 1 1 396.310 2.322 20 0 GEADMO C[C@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000680437564 532413958 /nfs/dbraw/zinc/41/39/58/532413958.db2.gz RGTGZUNNRKBCKK-CABZTGNLSA-N 1 1 375.803 2.051 20 0 GEADMO C[C@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000680437564 532413964 /nfs/dbraw/zinc/41/39/64/532413964.db2.gz RGTGZUNNRKBCKK-CABZTGNLSA-N 1 1 375.803 2.051 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000295175748 532414421 /nfs/dbraw/zinc/41/44/21/532414421.db2.gz OYUJBMWSURIEPJ-KRWDZBQOSA-N 1 1 399.285 2.289 20 0 GEADMO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192985120 532415053 /nfs/dbraw/zinc/41/50/53/532415053.db2.gz KOOZEXKANLSVTG-AWEZNQCLSA-N 1 1 380.901 2.118 20 0 GEADMO COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1Br ZINC000517392420 532415647 /nfs/dbraw/zinc/41/56/47/532415647.db2.gz UPISEIAPIFPQEB-UKRRQHHQSA-N 1 1 399.329 2.065 20 0 GEADMO CC(C)(NC(=O)NCCC[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000465444775 532415745 /nfs/dbraw/zinc/41/57/45/532415745.db2.gz WVZLTJOMTUUOLS-UHFFFAOYSA-N 1 1 380.436 2.419 20 0 GEADMO Cn1cc(CC[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)nn1 ZINC000625228013 532415711 /nfs/dbraw/zinc/41/57/11/532415711.db2.gz VVWFFYWXWGAXOY-UHFFFAOYSA-N 1 1 382.281 2.077 20 0 GEADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270432 532418685 /nfs/dbraw/zinc/41/86/85/532418685.db2.gz UMQVEBFWXSYYJS-IUCAKERBSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427270432 532418691 /nfs/dbraw/zinc/41/86/91/532418691.db2.gz UMQVEBFWXSYYJS-IUCAKERBSA-N 1 1 390.228 2.217 20 0 GEADMO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000560493825 532417829 /nfs/dbraw/zinc/41/78/29/532417829.db2.gz ZIKBVUVBAATWQP-ZDUSSCGKSA-N 1 1 383.286 2.489 20 0 GEADMO Cc1ccc(NCCCNC(=O)c2cc(Br)c(=O)[nH]c2C)[nH+]c1 ZINC000560537157 532419008 /nfs/dbraw/zinc/41/90/08/532419008.db2.gz RMPRXOYATRKRDK-UHFFFAOYSA-N 1 1 379.258 2.794 20 0 GEADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCC[N@H+]1C ZINC000427297659 532419905 /nfs/dbraw/zinc/41/99/05/532419905.db2.gz VQCVXKATFYMMNN-GZMMTYOYSA-N 1 1 390.228 2.265 20 0 GEADMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000372934679 532420585 /nfs/dbraw/zinc/42/05/85/532420585.db2.gz NRKLTLNVYYGBPF-SNVBAGLBSA-N 1 1 377.229 2.256 20 0 GEADMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625386855 532422423 /nfs/dbraw/zinc/42/24/23/532422423.db2.gz NNDPRIJZLPZJIM-YOEHRIQHSA-N 1 1 380.286 2.160 20 0 GEADMO C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000649706071 532422846 /nfs/dbraw/zinc/42/28/46/532422846.db2.gz UORZOTSMRZIMJD-VUCTXSBTSA-N 1 1 375.296 2.138 20 0 GEADMO CC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000193375692 532423028 /nfs/dbraw/zinc/42/30/28/532423028.db2.gz DNBLEYFWSFNPFC-UHFFFAOYSA-N 1 1 383.258 2.395 20 0 GEADMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625362849 532421333 /nfs/dbraw/zinc/42/13/33/532421333.db2.gz COWNWKPRAHELLD-OYNZBZHQSA-N 1 1 392.297 2.288 20 0 GEADMO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193525734 532425895 /nfs/dbraw/zinc/42/58/95/532425895.db2.gz VWSQYBRCJUHEKP-GFCCVEGCSA-N 1 1 388.295 2.041 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625419476 532426318 /nfs/dbraw/zinc/42/63/18/532426318.db2.gz IVFRVMLVANYBJJ-LBPRGKRZSA-N 1 1 391.331 2.468 20 0 GEADMO CSc1ccc([C@H](CNS(=O)(=O)c2cc(C)cnc2N)[NH+](C)C)cc1 ZINC000561042020 532427648 /nfs/dbraw/zinc/42/76/48/532427648.db2.gz RZJYGZPEQGKVTA-HNNXBMFYSA-N 1 1 380.539 2.275 20 0 GEADMO Cc1nc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000295278431 532429545 /nfs/dbraw/zinc/42/95/45/532429545.db2.gz IFWNSNIRTBTJCK-PBINXNQUSA-N 1 1 380.333 2.118 20 0 GEADMO Cc1nc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1Br ZINC000295278431 532429552 /nfs/dbraw/zinc/42/95/52/532429552.db2.gz IFWNSNIRTBTJCK-PBINXNQUSA-N 1 1 380.333 2.118 20 0 GEADMO C[N@H+]1CCN(CCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1(C)C ZINC000281636563 532429613 /nfs/dbraw/zinc/42/96/13/532429613.db2.gz AEADEPMUPVGRIF-UHFFFAOYSA-N 1 1 394.317 2.081 20 0 GEADMO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000466535754 532430334 /nfs/dbraw/zinc/43/03/34/532430334.db2.gz HZKRUFXALONSRI-HZPDHXFCSA-N 1 1 384.929 2.368 20 0 GEADMO C[N@H+]1CCN(CCNC(=O)c2cc(F)c(F)cc2Br)CC1(C)C ZINC000281823620 532435791 /nfs/dbraw/zinc/43/57/91/532435791.db2.gz RICUPBJCKQGIEQ-UHFFFAOYSA-N 1 1 390.272 2.483 20 0 GEADMO COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c(SC)cc1OC ZINC000373174994 532437117 /nfs/dbraw/zinc/43/71/17/532437117.db2.gz DMXANRHXVJPLFC-AWEZNQCLSA-N 1 1 386.539 2.082 20 0 GEADMO COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c(SC)cc1OC ZINC000373174994 532437123 /nfs/dbraw/zinc/43/71/23/532437123.db2.gz DMXANRHXVJPLFC-AWEZNQCLSA-N 1 1 386.539 2.082 20 0 GEADMO O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000518026664 532434380 /nfs/dbraw/zinc/43/43/80/532434380.db2.gz MIMSPJQINKKRAS-CYBMUJFWSA-N 1 1 381.267 2.107 20 0 GEADMO Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467221122 532441565 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Cc1ccc(CC(=O)NCCC[N@H+]2CCCN(C)CC2)cc1Br ZINC000682160269 532442246 /nfs/dbraw/zinc/44/22/46/532442246.db2.gz VEJFGBIEISLCFE-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO Cc1ccc(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1Br ZINC000682160269 532442248 /nfs/dbraw/zinc/44/22/48/532442248.db2.gz VEJFGBIEISLCFE-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295385893 532442394 /nfs/dbraw/zinc/44/23/94/532442394.db2.gz HFIDWFCMSBCHKY-UKRRQHHQSA-N 1 1 385.302 2.179 20 0 GEADMO CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000467246537 532442459 /nfs/dbraw/zinc/44/24/59/532442459.db2.gz NDKZPXSWSJJEIY-AWEZNQCLSA-N 1 1 398.301 2.087 20 0 GEADMO Cc1cc(Br)cn2c(CN3CC[N@@H+](CCO)C(C)(C)C3)cnc12 ZINC000682167026 532442847 /nfs/dbraw/zinc/44/28/47/532442847.db2.gz XXYLRHPMNSTJOJ-UHFFFAOYSA-N 1 1 381.318 2.294 20 0 GEADMO C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCN2CCO[C@H]1C2 ZINC000295398965 532443538 /nfs/dbraw/zinc/44/35/38/532443538.db2.gz 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OC[C@@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCOC1 ZINC000411991795 532783412 /nfs/dbraw/zinc/78/34/12/532783412.db2.gz JHOQYQLYLUIRNN-UKRRQHHQSA-N 1 1 396.285 2.300 20 0 GEADMO CN1CC[N@H+](C)C[C@H]1c1noc(-c2ccc(I)cc2)n1 ZINC000545796000 532784388 /nfs/dbraw/zinc/78/43/88/532784388.db2.gz CLGBGOIRMXAHMS-LBPRGKRZSA-N 1 1 384.221 2.260 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccc(I)cc2)n1 ZINC000545796000 532784391 /nfs/dbraw/zinc/78/43/91/532784391.db2.gz CLGBGOIRMXAHMS-LBPRGKRZSA-N 1 1 384.221 2.260 20 0 GEADMO CNC(=O)NC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000412057486 532784421 /nfs/dbraw/zinc/78/44/21/532784421.db2.gz XTJHPFMZSPLJBE-GFCCVEGCSA-N 1 1 397.317 2.020 20 0 GEADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412082558 532785168 /nfs/dbraw/zinc/78/51/68/532785168.db2.gz LQRWHHFEZDVIRL-UKRRQHHQSA-N 1 1 382.551 2.422 20 0 GEADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412082558 532785171 /nfs/dbraw/zinc/78/51/71/532785171.db2.gz LQRWHHFEZDVIRL-UKRRQHHQSA-N 1 1 382.551 2.422 20 0 GEADMO CC(C)[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412085726 532785838 /nfs/dbraw/zinc/78/58/38/532785838.db2.gz ZOFWCIBMFORICD-CABCVRRESA-N 1 1 385.302 2.178 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000457102582 532786926 /nfs/dbraw/zinc/78/69/26/532786926.db2.gz RKJXBOQSLFNHMQ-XVSDVWIESA-N 1 1 393.325 2.178 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000457102582 532786928 /nfs/dbraw/zinc/78/69/28/532786928.db2.gz RKJXBOQSLFNHMQ-XVSDVWIESA-N 1 1 393.325 2.178 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000457123706 532787889 /nfs/dbraw/zinc/78/78/89/532787889.db2.gz MRYNSVSAZFGCOT-GFCCVEGCSA-N 1 1 383.279 2.318 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000457123706 532787894 /nfs/dbraw/zinc/78/78/94/532787894.db2.gz MRYNSVSAZFGCOT-GFCCVEGCSA-N 1 1 383.279 2.318 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000269738082 532789191 /nfs/dbraw/zinc/78/91/91/532789191.db2.gz YMTPIUQMDZQLAF-HZPDHXFCSA-N 1 1 379.551 2.314 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000269738082 532789195 /nfs/dbraw/zinc/78/91/95/532789195.db2.gz YMTPIUQMDZQLAF-HZPDHXFCSA-N 1 1 379.551 2.314 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc2cc(Br)cnc21 ZINC000287280262 532789794 /nfs/dbraw/zinc/78/97/94/532789794.db2.gz RMTPQQGGWFXGEL-CQSZACIVSA-N 1 1 392.301 2.365 20 0 GEADMO CON1CCC([N@@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000459581452 532796846 /nfs/dbraw/zinc/79/68/46/532796846.db2.gz OPWCJKABMCADRF-HNNXBMFYSA-N 1 1 391.281 2.286 20 0 GEADMO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000458223296 532793485 /nfs/dbraw/zinc/79/34/85/532793485.db2.gz MTERLJPHILXHHD-UHFFFAOYSA-N 1 1 380.535 2.285 20 0 GEADMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270366104 532796125 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GEADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000314937745 532781628 /nfs/dbraw/zinc/78/16/28/532781628.db2.gz LMTGIGNTGNXNQR-OAHLLOKOSA-N 1 1 384.299 2.425 20 0 GEADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000287670600 532805922 /nfs/dbraw/zinc/80/59/22/532805922.db2.gz RLZICZKHEVHNKN-UHFFFAOYSA-N 1 1 388.331 2.070 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(CO)C1)c1ccc(Cl)cc1Cl ZINC000459659809 532797687 /nfs/dbraw/zinc/79/76/87/532797687.db2.gz ZWIYRRKNJUGDMX-PRXAMGSTSA-N 1 1 375.296 2.378 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(CO)C1)c1ccc(Cl)cc1Cl ZINC000459659809 532797690 /nfs/dbraw/zinc/79/76/90/532797690.db2.gz ZWIYRRKNJUGDMX-PRXAMGSTSA-N 1 1 375.296 2.378 20 0 GEADMO Cc1cc(C)c(Br)c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000461012269 532799762 /nfs/dbraw/zinc/79/97/62/532799762.db2.gz BHHXKHRUAAQOKT-CQSZACIVSA-N 1 1 382.302 2.136 20 0 GEADMO COC(=O)C[N@H+](Cc1cccc(I)c1)C1CCOCC1 ZINC000551553324 532800281 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CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000329144592 532803160 /nfs/dbraw/zinc/80/31/60/532803160.db2.gz WKSJFOSGNWCMRS-ZDUSSCGKSA-N 1 1 385.921 2.234 20 0 GEADMO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ncc(Br)s1 ZINC000552339887 532803785 /nfs/dbraw/zinc/80/37/85/532803785.db2.gz HHKFYJJCHOOWQQ-ZJUUUORDSA-N 1 1 382.349 2.370 20 0 GEADMO CCOc1cccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1OC(F)F ZINC000271163611 532803775 /nfs/dbraw/zinc/80/37/75/532803775.db2.gz GRMSQXBZQMWHMC-GFCCVEGCSA-N 1 1 378.441 2.187 20 0 GEADMO CCOc1cccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1OC(F)F ZINC000271163611 532803778 /nfs/dbraw/zinc/80/37/78/532803778.db2.gz GRMSQXBZQMWHMC-GFCCVEGCSA-N 1 1 378.441 2.187 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000271962373 532812746 /nfs/dbraw/zinc/81/27/46/532812746.db2.gz ZLDBJTYIMNAGAB-UHFFFAOYSA-N 1 1 386.677 2.419 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000330164848 532815145 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O=c1[nH]cc(Br)cc1Cc1noc(CCCC[NH+]2CCOCC2)n1 ZINC000350114324 532884465 /nfs/dbraw/zinc/88/44/65/532884465.db2.gz HKWLXNOGFQBQHG-UHFFFAOYSA-N 1 1 397.273 2.178 20 0 GEADMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1Cl ZINC000360231818 532890036 /nfs/dbraw/zinc/89/00/36/532890036.db2.gz ZGLFEQOCMNMITI-CJNGLKHVSA-N 1 1 388.917 2.128 20 0 GEADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000290735289 532888315 /nfs/dbraw/zinc/88/83/15/532888315.db2.gz ZAWAPITUJCPCTD-CYBMUJFWSA-N 1 1 382.555 2.226 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(Br)c1 ZINC000276112367 532889171 /nfs/dbraw/zinc/88/91/71/532889171.db2.gz OMGOKDHMMGDMNM-GFCCVEGCSA-N 1 1 380.286 2.463 20 0 GEADMO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000360730442 532890748 /nfs/dbraw/zinc/89/07/48/532890748.db2.gz BCFINKQDCMAUPP-QWRGUYRKSA-N 1 1 378.420 2.214 20 0 GEADMO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000360730442 532890751 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ZINC000362644016 532896618 /nfs/dbraw/zinc/89/66/18/532896618.db2.gz YDXFFZUMCSKZHM-MRXNPFEDSA-N 1 1 382.917 2.266 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000276533841 532897558 /nfs/dbraw/zinc/89/75/58/532897558.db2.gz DGKPKJNLIAZWII-RYUDHWBXSA-N 1 1 385.295 2.097 20 0 GEADMO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363593103 532899749 /nfs/dbraw/zinc/89/97/49/532899749.db2.gz MJEFZAUJZOMFQY-KGLIPLIRSA-N 1 1 383.286 2.197 20 0 GEADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000276695773 532899983 /nfs/dbraw/zinc/89/99/83/532899983.db2.gz DNICNJRCIGFGEB-JTQLQIEISA-N 1 1 377.233 2.095 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291242343 532898686 /nfs/dbraw/zinc/89/86/86/532898686.db2.gz FAHNFPGSCCNGRI-JTQLQIEISA-N 1 1 378.420 2.433 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291347311 532900665 /nfs/dbraw/zinc/90/06/65/532900665.db2.gz VXMYRUVBVWYGMR-PAPYEOQZSA-N 1 1 385.555 2.337 20 0 GEADMO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363754303 532901173 /nfs/dbraw/zinc/90/11/73/532901173.db2.gz VCPQSWGZJGHSGS-SUMWQHHRSA-N 1 1 390.908 2.399 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000276892217 532903267 /nfs/dbraw/zinc/90/32/67/532903267.db2.gz CCPXBCWNJUEKLD-UHFFFAOYSA-N 1 1 386.677 2.419 20 0 GEADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c3sccc31)C2 ZINC000291513750 532903727 /nfs/dbraw/zinc/90/37/27/532903727.db2.gz IXRBTBJIPQXWQD-WBIUFABUSA-N 1 1 379.507 2.239 20 0 GEADMO COc1cc(Br)c(CN2CCC[N@@H+](CC(C)(C)O)CC2)cc1O ZINC000364122076 532903822 /nfs/dbraw/zinc/90/38/22/532903822.db2.gz SGOSUWMBNFEHBR-UHFFFAOYSA-N 1 1 387.318 2.442 20 0 GEADMO O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000364127054 532904057 /nfs/dbraw/zinc/90/40/57/532904057.db2.gz MYICYCPMXQONFT-CZUORRHYSA-N 1 1 381.523 2.076 20 0 GEADMO C[N@@H+](CCCOC(=O)NC(N)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000364130794 532904104 /nfs/dbraw/zinc/90/41/04/532904104.db2.gz VHXPPDOJLYZSPI-LBPRGKRZSA-N 1 1 386.246 2.400 20 0 GEADMO O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000291602369 532904868 /nfs/dbraw/zinc/90/48/68/532904868.db2.gz CCWPGBOYMDTTBN-INIZCTEOSA-N 1 1 394.269 2.496 20 0 GEADMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000276985729 532905156 /nfs/dbraw/zinc/90/51/56/532905156.db2.gz VIRJRNGXGKQHNI-ZFWWWQNUSA-N 1 1 388.917 2.128 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291729007 532907789 /nfs/dbraw/zinc/90/77/89/532907789.db2.gz JKFDERGFLDVIKL-UHFFFAOYSA-N 1 1 397.317 2.035 20 0 GEADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CCCO1 ZINC000365318540 532909816 /nfs/dbraw/zinc/90/98/16/532909816.db2.gz WFFSVFQOLVCXBA-SUMWQHHRSA-N 1 1 397.313 2.370 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000365355135 532909865 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CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736799193 599591896 /nfs/dbraw/zinc/59/18/96/599591896.db2.gz PAJKLLWLCOXSKP-UHFFFAOYSA-N 1 1 377.496 2.121 20 0 GEADMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736798785 599592761 /nfs/dbraw/zinc/59/27/61/599592761.db2.gz GINBYGOIQKTSNF-UHFFFAOYSA-N 1 1 377.496 2.121 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1C ZINC000821253121 599639384 /nfs/dbraw/zinc/63/93/84/599639384.db2.gz CTXBLRSLFDBHPF-XJKSGUPXSA-N 1 1 382.472 2.221 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](CCO)c1ccccc1 ZINC000821598067 599642862 /nfs/dbraw/zinc/64/28/62/599642862.db2.gz PWFWOOZTTPOVIF-SFHVURJKSA-N 1 1 380.452 2.251 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1-c1nn[nH]n1 ZINC000821989873 599654024 /nfs/dbraw/zinc/65/40/24/599654024.db2.gz MQRFESXFNKWRSX-OLZOCXBDSA-N 1 1 399.524 2.170 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[NH+]1CCCCCC1 ZINC000819882520 599662857 /nfs/dbraw/zinc/66/28/57/599662857.db2.gz AVBJADRWSIGANJ-CYBMUJFWSA-N 1 1 397.439 2.224 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821609765 599683886 /nfs/dbraw/zinc/68/38/86/599683886.db2.gz KYGBDXANXBEIAC-CQSZACIVSA-N 1 1 376.436 2.447 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821609765 599683887 /nfs/dbraw/zinc/68/38/87/599683887.db2.gz KYGBDXANXBEIAC-CQSZACIVSA-N 1 1 376.436 2.447 20 0 GEADMO Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738797627 600096249 /nfs/dbraw/zinc/09/62/49/600096249.db2.gz GQLXBGRHQPSONG-SJLPKXTDSA-N 1 1 385.464 2.262 20 0 GEADMO Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738797627 600096252 /nfs/dbraw/zinc/09/62/52/600096252.db2.gz GQLXBGRHQPSONG-SJLPKXTDSA-N 1 1 385.464 2.262 20 0 GEADMO C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCCC[C@H]1C ZINC000824941603 607449603 /nfs/dbraw/zinc/44/96/03/607449603.db2.gz YTMNIZMTPMMMBD-HUUCEWRRSA-N 1 1 383.500 2.418 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824948720 607453625 /nfs/dbraw/zinc/45/36/25/607453625.db2.gz VKGURFWMKNPYQI-CABCVRRESA-N 1 1 383.500 2.275 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000824770822 607469230 /nfs/dbraw/zinc/46/92/30/607469230.db2.gz MWBQWQXAJFHZMI-MRXNPFEDSA-N 1 1 392.463 2.151 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824769816 607469257 /nfs/dbraw/zinc/46/92/57/607469257.db2.gz BIFWWAZRUFZIOP-MRXNPFEDSA-N 1 1 392.463 2.151 20 0 GEADMO Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000832843310 600824899 /nfs/dbraw/zinc/82/48/99/600824899.db2.gz UDYQMNPCQTXJRI-INIZCTEOSA-N 1 1 391.512 2.478 20 0 GEADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825285107 607488308 /nfs/dbraw/zinc/48/83/08/607488308.db2.gz JQEMRVZQGSBHNF-GOEBONIOSA-N 1 1 386.500 2.392 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823246269 607497424 /nfs/dbraw/zinc/49/74/24/607497424.db2.gz JACDMZPZUJDVDC-FUHWJXTLSA-N 1 1 381.484 2.025 20 0 GEADMO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823257214 607499370 /nfs/dbraw/zinc/49/93/70/607499370.db2.gz DVMCNWFVPGGFIJ-WMZOPIPTSA-N 1 1 381.484 2.025 20 0 GEADMO CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000830924028 601294362 /nfs/dbraw/zinc/29/43/62/601294362.db2.gz ZCSXZNIEYNDRBH-UHFFFAOYSA-N 1 1 388.512 2.048 20 0 GEADMO CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)o1 ZINC000824352739 607507012 /nfs/dbraw/zinc/50/70/12/607507012.db2.gz LDEBOCYCIUMEMF-OAHLLOKOSA-N 1 1 382.472 2.079 20 0 GEADMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826192520 607507769 /nfs/dbraw/zinc/50/77/69/607507769.db2.gz QKRKDVSYJPHQJD-CQSZACIVSA-N 1 1 388.472 2.317 20 0 GEADMO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823343727 607508701 /nfs/dbraw/zinc/50/87/01/607508701.db2.gz FKEHWKCESNGYSP-SJKOYZFVSA-N 1 1 385.447 2.486 20 0 GEADMO Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc(C)c1OCC(=O)[O-] ZINC000832866615 601535889 /nfs/dbraw/zinc/53/58/89/601535889.db2.gz HULRUEIKLIIDEV-UHFFFAOYSA-N 1 1 398.463 2.166 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000826183264 607526417 /nfs/dbraw/zinc/52/64/17/607526417.db2.gz JOZGATIZLWEHMC-ZDUSSCGKSA-N 1 1 385.497 2.351 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000826183264 607526419 /nfs/dbraw/zinc/52/64/19/607526419.db2.gz JOZGATIZLWEHMC-ZDUSSCGKSA-N 1 1 385.497 2.351 20 0 GEADMO c1cc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512529 607527888 /nfs/dbraw/zinc/52/78/88/607527888.db2.gz DQSFSRUYHHCAGV-HZPDHXFCSA-N 1 1 381.440 2.165 20 0 GEADMO CC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000828653403 602216449 /nfs/dbraw/zinc/21/64/49/602216449.db2.gz ZMBGZVCVORCUIZ-OAQYLSRUSA-N 1 1 375.513 2.262 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000824047308 607557323 /nfs/dbraw/zinc/55/73/23/607557323.db2.gz ZTACGWAZICPZFZ-JHJVBQTASA-N 1 1 390.875 2.206 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000825195328 607612576 /nfs/dbraw/zinc/61/25/76/607612576.db2.gz WDDZPMOKJINEDU-AWEZNQCLSA-N 1 1 392.529 2.046 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825194062 607614511 /nfs/dbraw/zinc/61/45/11/607614511.db2.gz OUQALZZZURHMRJ-ZDUSSCGKSA-N 1 1 398.920 2.063 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000828467100 603330722 /nfs/dbraw/zinc/33/07/22/603330722.db2.gz UMSDENNBHKJARE-UHFFFAOYSA-N 1 1 391.516 2.286 20 0 GEADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000828467100 603330725 /nfs/dbraw/zinc/33/07/25/603330725.db2.gz UMSDENNBHKJARE-UHFFFAOYSA-N 1 1 391.516 2.286 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220416 607627275 /nfs/dbraw/zinc/62/72/75/607627275.db2.gz TVEJLLOBUBCITG-CVEARBPZSA-N 1 1 399.499 2.034 20 0 GEADMO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000826245638 607653221 /nfs/dbraw/zinc/65/32/21/607653221.db2.gz DJCBVFMKIIRHOJ-UHFFFAOYSA-N 1 1 376.464 2.176 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000444174354 649938557 /nfs/dbraw/zinc/93/85/57/649938557.db2.gz FYOVCCXDGMKLNY-SNVBAGLBSA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000444174354 649938568 /nfs/dbraw/zinc/93/85/68/649938568.db2.gz FYOVCCXDGMKLNY-SNVBAGLBSA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000444175250 649938732 /nfs/dbraw/zinc/93/87/32/649938732.db2.gz JPRYZXUQDKHFKM-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000444175250 649938737 /nfs/dbraw/zinc/93/87/37/649938737.db2.gz JPRYZXUQDKHFKM-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000830906100 604365018 /nfs/dbraw/zinc/36/50/18/604365018.db2.gz HVUSGDJFHAEGTM-SQGPQFPESA-N 1 1 398.507 2.138 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000830906100 604365024 /nfs/dbraw/zinc/36/50/24/604365024.db2.gz HVUSGDJFHAEGTM-SQGPQFPESA-N 1 1 398.507 2.138 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000830906100 604365029 /nfs/dbraw/zinc/36/50/29/604365029.db2.gz HVUSGDJFHAEGTM-SQGPQFPESA-N 1 1 398.507 2.138 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000830906100 604365034 /nfs/dbraw/zinc/36/50/34/604365034.db2.gz HVUSGDJFHAEGTM-SQGPQFPESA-N 1 1 398.507 2.138 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000444360034 649947643 /nfs/dbraw/zinc/94/76/43/649947643.db2.gz DMQCOQDJZYFFLE-UHFFFAOYSA-N 1 1 378.270 2.457 20 0 GEADMO CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC000833498794 604961936 /nfs/dbraw/zinc/96/19/36/604961936.db2.gz DSGAILCWWHUELX-UHFFFAOYSA-N 1 1 375.513 2.254 20 0 GEADMO COCCO[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000444752964 649952139 /nfs/dbraw/zinc/95/21/39/649952139.db2.gz LIYTWIPDOYQDCY-AWEZNQCLSA-N 1 1 375.296 2.389 20 0 GEADMO COCCO[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000444752964 649952145 /nfs/dbraw/zinc/95/21/45/649952145.db2.gz LIYTWIPDOYQDCY-AWEZNQCLSA-N 1 1 375.296 2.389 20 0 GEADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCC(=O)[O-])C[C@H]1C ZINC000833496144 605045124 /nfs/dbraw/zinc/04/51/24/605045124.db2.gz UFYUFPMKXJOALJ-QGZVFWFLSA-N 1 1 390.528 2.217 20 0 GEADMO CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833496144 605045126 /nfs/dbraw/zinc/04/51/26/605045126.db2.gz UFYUFPMKXJOALJ-QGZVFWFLSA-N 1 1 390.528 2.217 20 0 GEADMO CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC000833496144 605045127 /nfs/dbraw/zinc/04/51/27/605045127.db2.gz UFYUFPMKXJOALJ-QGZVFWFLSA-N 1 1 390.528 2.217 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000833622036 605135572 /nfs/dbraw/zinc/13/55/72/605135572.db2.gz DRSIYEWRRYVGQR-CVEARBPZSA-N 1 1 394.541 2.075 20 0 GEADMO CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833500283 605190900 /nfs/dbraw/zinc/19/09/00/605190900.db2.gz WRZNFGIMAULPIK-INIZCTEOSA-N 1 1 388.424 2.147 20 0 GEADMO O=C([O-])N1CCC([C@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccc(F)cc2)CC1 ZINC000834073685 605984128 /nfs/dbraw/zinc/98/41/28/605984128.db2.gz INIUAMJXVUVBMH-LJQANCHMSA-N 1 1 379.476 2.303 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821596942 606033323 /nfs/dbraw/zinc/03/33/23/606033323.db2.gz YXGSEAGNMBFMNZ-QGZVFWFLSA-N 1 1 392.511 2.351 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087453 606089547 /nfs/dbraw/zinc/08/95/47/606089547.db2.gz BHVMHTOHAHQNPZ-CYBMUJFWSA-N 1 1 391.907 2.122 20 0 GEADMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820643738 606112065 /nfs/dbraw/zinc/11/20/65/606112065.db2.gz YJXGUGSPNWSOLN-OXJNMPFZSA-N 1 1 390.491 2.436 20 0 GEADMO Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822693605 606113002 /nfs/dbraw/zinc/11/30/02/606113002.db2.gz GYDFPWOJCHSWBJ-LPHOPBHVSA-N 1 1 382.468 2.172 20 0 GEADMO Cc1sc(NC(=O)CN(C)CC[C@@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c1C ZINC000822558341 606114598 /nfs/dbraw/zinc/11/45/98/606114598.db2.gz OWCVGVDTFDQXOV-AWEZNQCLSA-N 1 1 391.545 2.290 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C 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FQXNSPQRUMGLJD-KRWDZBQOSA-N 1 1 397.504 2.438 20 0 GEADMO Cc1ccccc1[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822350639 606187878 /nfs/dbraw/zinc/18/78/78/606187878.db2.gz FQXNSPQRUMGLJD-KRWDZBQOSA-N 1 1 397.504 2.438 20 0 GEADMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820678781 606189015 /nfs/dbraw/zinc/18/90/15/606189015.db2.gz YJMOIHIIHKGLMU-KMFMINBZSA-N 1 1 375.498 2.293 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000822632495 606252027 /nfs/dbraw/zinc/25/20/27/606252027.db2.gz WVFFCJXMOFGVTH-AYHJJNSGSA-N 1 1 391.479 2.131 20 0 GEADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000821614518 606268294 /nfs/dbraw/zinc/26/82/94/606268294.db2.gz JKGGQXUJKKJLFP-UHFFFAOYSA-N 1 1 379.468 2.179 20 0 GEADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)cn2C)C1 ZINC000820710901 606280334 /nfs/dbraw/zinc/28/03/34/606280334.db2.gz SHYACDWYROGQEG-HNNXBMFYSA-N 1 1 393.495 2.367 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000820742978 606284454 /nfs/dbraw/zinc/28/44/54/606284454.db2.gz OSCUIJUVHNHGAF-AWEZNQCLSA-N 1 1 377.452 2.386 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@H+]1C ZINC000820742978 606284455 /nfs/dbraw/zinc/28/44/55/606284455.db2.gz OSCUIJUVHNHGAF-AWEZNQCLSA-N 1 1 377.452 2.386 20 0 GEADMO O=C(C[NH2+][C@H](Cn1cccn1)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823005185 606331986 /nfs/dbraw/zinc/33/19/86/606331986.db2.gz GDZDESGWRVFBFA-GOSISDBHSA-N 1 1 388.435 2.033 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821001312 606334151 /nfs/dbraw/zinc/33/41/51/606334151.db2.gz PYRWTVWXJPUZJX-KBPBESRZSA-N 1 1 389.529 2.206 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821000352 606393445 /nfs/dbraw/zinc/39/34/45/606393445.db2.gz DGQVSGKCJKLGAB-HZPDHXFCSA-N 1 1 387.463 2.164 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821000883 606393491 /nfs/dbraw/zinc/39/34/91/606393491.db2.gz KVZKIWFDIMPOCQ-JKSUJKDBSA-N 1 1 387.463 2.164 20 0 GEADMO CCC[C@H]1C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033676 606442093 /nfs/dbraw/zinc/44/20/93/606442093.db2.gz DITKCGNSLJZUEN-ZWKOTPCHSA-N 1 1 383.500 2.273 20 0 GEADMO O[C@@H](CNc1ccc(-c2nn[nH]n2)c(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000823689488 606451399 /nfs/dbraw/zinc/45/13/99/606451399.db2.gz GINYVGAGBAOPGO-INIZCTEOSA-N 1 1 384.871 2.351 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000821701666 606452337 /nfs/dbraw/zinc/45/23/37/606452337.db2.gz YAYSYRRTUZSQEW-APWZRJJASA-N 1 1 375.473 2.390 20 0 GEADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000823530523 606491282 /nfs/dbraw/zinc/49/12/82/606491282.db2.gz NIFIYCZKQUNWBI-CQSZACIVSA-N 1 1 392.410 2.055 20 0 GEADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000823530523 606491283 /nfs/dbraw/zinc/49/12/83/606491283.db2.gz NIFIYCZKQUNWBI-CQSZACIVSA-N 1 1 392.410 2.055 20 0 GEADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821625127 606513922 /nfs/dbraw/zinc/51/39/22/606513922.db2.gz GHZOFPVUXBXCKZ-UHFFFAOYSA-N 1 1 391.479 2.190 20 0 GEADMO COC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000821684806 606520777 /nfs/dbraw/zinc/52/07/77/606520777.db2.gz LDQHWNXCASEKOM-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)c2)CCO1 ZINC000820758796 606537833 /nfs/dbraw/zinc/53/78/33/606537833.db2.gz DCKNDPDCQNVTAD-CYBMUJFWSA-N 1 1 398.492 2.079 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)c2)CCO1 ZINC000820758796 606537834 /nfs/dbraw/zinc/53/78/34/606537834.db2.gz DCKNDPDCQNVTAD-CYBMUJFWSA-N 1 1 398.492 2.079 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822000173 606558583 /nfs/dbraw/zinc/55/85/83/606558583.db2.gz ADOAXLVVPICRDF-MRXNPFEDSA-N 1 1 376.464 2.142 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822000173 606558585 /nfs/dbraw/zinc/55/85/85/606558585.db2.gz ADOAXLVVPICRDF-MRXNPFEDSA-N 1 1 376.464 2.142 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820758620 606583527 /nfs/dbraw/zinc/58/35/27/606583527.db2.gz AKZWPGNTVZQCAT-JXFKEZNVSA-N 1 1 390.491 2.436 20 0 GEADMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CC1 ZINC000821638592 606599141 /nfs/dbraw/zinc/59/91/41/606599141.db2.gz CKTVOCNKROAYNZ-JTQLQIEISA-N 1 1 381.383 2.242 20 0 GEADMO C[N@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H]1CCOC1 ZINC000821593706 606621754 /nfs/dbraw/zinc/62/17/54/606621754.db2.gz GLMHNLWFQPLVFR-GFCCVEGCSA-N 1 1 390.513 2.104 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[N@H+]1C1CC1 ZINC000820659162 606624934 /nfs/dbraw/zinc/62/49/34/606624934.db2.gz WXMRVNBMJRHGBA-GOEBONIOSA-N 1 1 384.484 2.157 20 0 GEADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821241162 606697348 /nfs/dbraw/zinc/69/73/48/606697348.db2.gz KJPGDLPMOICQLJ-NOZJJQNGSA-N 1 1 383.378 2.347 20 0 GEADMO CCC1(CC)CC[N@@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820956588 606705133 /nfs/dbraw/zinc/70/51/33/606705133.db2.gz JGSKVVGNXFXRHX-UHFFFAOYSA-N 1 1 397.483 2.101 20 0 GEADMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820636357 606718033 /nfs/dbraw/zinc/71/80/33/606718033.db2.gz RPBULRWKJSZYKZ-GHTZIAJQSA-N 1 1 379.464 2.270 20 0 GEADMO CCCc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821138617 606779034 /nfs/dbraw/zinc/77/90/34/606779034.db2.gz CXABHWNEJDOEBW-HNNXBMFYSA-N 1 1 378.484 2.320 20 0 GEADMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCCOc1ccccc1 ZINC000820788506 606782104 /nfs/dbraw/zinc/78/21/04/606782104.db2.gz IQKZIKXPGALSEL-MRXNPFEDSA-N 1 1 394.483 2.026 20 0 GEADMO Cc1cccc2c(N[C@H]3CCN(C(=O)C4CC4)C[C@H]3C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336868 606806641 /nfs/dbraw/zinc/80/66/41/606806641.db2.gz SGGBBSZUCBDZDS-DYVFJYSZSA-N 1 1 391.479 2.204 20 0 GEADMO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821571008 606812326 /nfs/dbraw/zinc/81/23/26/606812326.db2.gz VRWHSXIFWYFDJC-IBGZPJMESA-N 1 1 376.464 2.142 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000821407042 606834560 /nfs/dbraw/zinc/83/45/60/606834560.db2.gz NUXNIHCMODTANJ-CJNGLKHVSA-N 1 1 387.488 2.459 20 0 GEADMO O[C@H](C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681732 606851447 /nfs/dbraw/zinc/85/14/47/606851447.db2.gz JODGFKFCOZFGKN-HXUWFJFHSA-N 1 1 396.470 2.247 20 0 GEADMO O[C@H](C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681600 606860736 /nfs/dbraw/zinc/86/07/36/606860736.db2.gz HHCKHWIIUVGHMB-IAGOWNOFSA-N 1 1 394.483 2.055 20 0 GEADMO O[C@H](C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681600 606860737 /nfs/dbraw/zinc/86/07/37/606860737.db2.gz HHCKHWIIUVGHMB-IAGOWNOFSA-N 1 1 394.483 2.055 20 0 GEADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820011660 606890679 /nfs/dbraw/zinc/89/06/79/606890679.db2.gz NTWBTTNMNAEWRW-MRXNPFEDSA-N 1 1 386.500 2.120 20 0 GEADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820011658 606891246 /nfs/dbraw/zinc/89/12/46/606891246.db2.gz NTWBTTNMNAEWRW-INIZCTEOSA-N 1 1 386.500 2.120 20 0 GEADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821007721 606891983 /nfs/dbraw/zinc/89/19/83/606891983.db2.gz CVIKNMYFGCSZSM-INIZCTEOSA-N 1 1 386.500 2.264 20 0 GEADMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222668 606892832 /nfs/dbraw/zinc/89/28/32/606892832.db2.gz WQIQIKVEMAFVJB-LJQANCHMSA-N 1 1 394.479 2.124 20 0 GEADMO Cc1nc(C)n([C@H]2CCC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822432117 606895533 /nfs/dbraw/zinc/89/55/33/606895533.db2.gz XQSASEFANRMQNC-KRWDZBQOSA-N 1 1 382.472 2.181 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000820658592 606904153 /nfs/dbraw/zinc/90/41/53/606904153.db2.gz UCIORJOLYFPBNY-QAPCUYQASA-N 1 1 392.463 2.025 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614483 606909634 /nfs/dbraw/zinc/90/96/34/606909634.db2.gz IGMOHXQXKLHQHR-PMACEKPBSA-N 1 1 378.480 2.106 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614483 606909636 /nfs/dbraw/zinc/90/96/36/606909636.db2.gz IGMOHXQXKLHQHR-PMACEKPBSA-N 1 1 378.480 2.106 20 0 GEADMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614483 606909638 /nfs/dbraw/zinc/90/96/38/606909638.db2.gz IGMOHXQXKLHQHR-PMACEKPBSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820299789 606913504 /nfs/dbraw/zinc/91/35/04/606913504.db2.gz KKVFUCPOHQQQBG-AWEZNQCLSA-N 1 1 380.452 2.464 20 0 GEADMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC000821358015 606935086 /nfs/dbraw/zinc/93/50/86/606935086.db2.gz GRWHGFDPZTZWSP-SJORKVTESA-N 1 1 384.484 2.475 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)C1 ZINC000821624054 606936062 /nfs/dbraw/zinc/93/60/62/606936062.db2.gz YJTBYPBPDGTTTK-CQSZACIVSA-N 1 1 395.433 2.102 20 0 GEADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000823372469 606965168 /nfs/dbraw/zinc/96/51/68/606965168.db2.gz FSIACXVPIUVGQQ-CQSZACIVSA-N 1 1 381.415 2.252 20 0 GEADMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820950997 606980376 /nfs/dbraw/zinc/98/03/76/606980376.db2.gz ULGABQHGCDVJLE-IBGZPJMESA-N 1 1 380.456 2.113 20 0 GEADMO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000823459513 607010192 /nfs/dbraw/zinc/01/01/92/607010192.db2.gz AETKIMDXRQIRRR-QFBILLFUSA-N 1 1 391.479 2.322 20 0 GEADMO c1ccc(C[N@H+]2CCC[C@@H]3CN(c4nccnc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000823779329 607032145 /nfs/dbraw/zinc/03/21/45/607032145.db2.gz ANKBJYNUUFCXSZ-SJORKVTESA-N 1 1 376.468 2.148 20 0 GEADMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821164709 607054653 /nfs/dbraw/zinc/05/46/53/607054653.db2.gz JKNUXJWFFUIUAO-UHFFFAOYSA-N 1 1 386.406 2.283 20 0 GEADMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821164709 607054655 /nfs/dbraw/zinc/05/46/55/607054655.db2.gz JKNUXJWFFUIUAO-UHFFFAOYSA-N 1 1 386.406 2.283 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000820033236 607070831 /nfs/dbraw/zinc/07/08/31/607070831.db2.gz SSWSDKNEDDQOCV-IEZWGBDMSA-N 1 1 398.511 2.213 20 0 GEADMO Fc1cccc(CN2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822787344 607077316 /nfs/dbraw/zinc/07/73/16/607077316.db2.gz ZEGIXIMGMZTKNX-UHFFFAOYSA-N 1 1 382.443 2.202 20 0 GEADMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958710 607106610 /nfs/dbraw/zinc/10/66/10/607106610.db2.gz XQPIBMFBKMEIKD-IRXDYDNUSA-N 1 1 386.500 2.008 20 0 GEADMO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2nn[nH]n2)c1C ZINC000822558018 607106836 /nfs/dbraw/zinc/10/68/36/607106836.db2.gz LMZUQBQRCYMDQN-FZKQIMNGSA-N 1 1 390.513 2.111 20 0 GEADMO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2nn[nH]n2)c1C ZINC000822558018 607106838 /nfs/dbraw/zinc/10/68/38/607106838.db2.gz LMZUQBQRCYMDQN-FZKQIMNGSA-N 1 1 390.513 2.111 20 0 GEADMO CCc1nnc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2nn[nH]n2)c1CC ZINC000821535351 607113091 /nfs/dbraw/zinc/11/30/91/607113091.db2.gz IDCSFWUKXQZVKZ-OKILXGFUSA-N 1 1 388.520 2.083 20 0 GEADMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000820637081 607121827 /nfs/dbraw/zinc/12/18/27/607121827.db2.gz WVFKBFCWLFUESS-OAQYLSRUSA-N 1 1 392.463 2.443 20 0 GEADMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000820637081 607121829 /nfs/dbraw/zinc/12/18/29/607121829.db2.gz WVFKBFCWLFUESS-OAQYLSRUSA-N 1 1 392.463 2.443 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822996493 607177924 /nfs/dbraw/zinc/17/79/24/607177924.db2.gz FEDOXTGKECVESL-SFHVURJKSA-N 1 1 377.452 2.382 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822996493 607177925 /nfs/dbraw/zinc/17/79/25/607177925.db2.gz FEDOXTGKECVESL-SFHVURJKSA-N 1 1 377.452 2.382 20 0 GEADMO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000823497938 607232450 /nfs/dbraw/zinc/23/24/50/607232450.db2.gz BHCWWYJKJCLDOR-UHFFFAOYSA-N 1 1 397.870 2.263 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822535585 607251161 /nfs/dbraw/zinc/25/11/61/607251161.db2.gz XJWQBZCBEQBGHC-HUUCEWRRSA-N 1 1 395.467 2.115 20 0 GEADMO c1ccc2c(c1)CC[C@@]21C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826523482 607802955 /nfs/dbraw/zinc/80/29/55/607802955.db2.gz 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C[C@@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824499897 607939747 /nfs/dbraw/zinc/93/97/47/607939747.db2.gz RZRBMRPOTJRRCG-FZKQIMNGSA-N 1 1 377.452 2.414 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824499897 607939748 /nfs/dbraw/zinc/93/97/48/607939748.db2.gz RZRBMRPOTJRRCG-FZKQIMNGSA-N 1 1 377.452 2.414 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824499896 607939871 /nfs/dbraw/zinc/93/98/71/607939871.db2.gz RZRBMRPOTJRRCG-ACJLOTCBSA-N 1 1 377.452 2.414 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824499896 607939872 /nfs/dbraw/zinc/93/98/72/607939872.db2.gz RZRBMRPOTJRRCG-ACJLOTCBSA-N 1 1 377.452 2.414 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000826044599 607959442 /nfs/dbraw/zinc/95/94/42/607959442.db2.gz HWQKNGPVOKMXSZ-SFHVURJKSA-N 1 1 389.463 2.342 20 0 GEADMO 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PUAMDANQJAHYKE-UHFFFAOYSA-N 1 1 385.453 2.223 20 0 GEADMO Cc1noc(C)c1C[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000826338861 608279648 /nfs/dbraw/zinc/27/96/48/608279648.db2.gz KDAVFSWFRAZDPV-UHFFFAOYSA-N 1 1 394.483 2.068 20 0 GEADMO CS[C@@H](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826226223 608291833 /nfs/dbraw/zinc/29/18/33/608291833.db2.gz VDIXONVRFNNSHG-HNNXBMFYSA-N 1 1 388.541 2.433 20 0 GEADMO C[C@@H]1C[N@H+](CCCCNc2nc3c(cc2-c2nn[nH]n2)CCCC3)C[C@H](C)O1 ZINC000824984698 608294896 /nfs/dbraw/zinc/29/48/96/608294896.db2.gz MLHQIZFREUHAFJ-GASCZTMLSA-N 1 1 385.516 2.442 20 0 GEADMO CCC[C@H]1CN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC[N@H+]1CCOC ZINC000825261312 608303986 /nfs/dbraw/zinc/30/39/86/608303986.db2.gz WOLWOPBPPXPEOY-HNNXBMFYSA-N 1 1 381.484 2.352 20 0 GEADMO Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826332607 608313206 /nfs/dbraw/zinc/31/32/06/608313206.db2.gz ZIGFVCXIFUAUBU-MSOLQXFVSA-N 1 1 392.511 2.419 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826331852 608316658 /nfs/dbraw/zinc/31/66/58/608316658.db2.gz AIWUCDQZOZEBJH-HZPDHXFCSA-N 1 1 379.468 2.219 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453128 608320342 /nfs/dbraw/zinc/32/03/42/608320342.db2.gz SMAWMJGLAOIOMF-HUUCEWRRSA-N 1 1 380.500 2.275 20 0 GEADMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826342149 608325851 /nfs/dbraw/zinc/32/58/51/608325851.db2.gz ZFLMVQRTGITUOZ-HUUCEWRRSA-N 1 1 388.472 2.154 20 0 GEADMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826342149 608325853 /nfs/dbraw/zinc/32/58/53/608325853.db2.gz ZFLMVQRTGITUOZ-HUUCEWRRSA-N 1 1 388.472 2.154 20 0 GEADMO O=C(CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407393 608326421 /nfs/dbraw/zinc/32/64/21/608326421.db2.gz LTZZJGKJKWDMAB-CVEARBPZSA-N 1 1 384.484 2.334 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407188 608326929 /nfs/dbraw/zinc/32/69/29/608326929.db2.gz DWCUAWLZCLWALC-HOTGVXAUSA-N 1 1 384.484 2.334 20 0 GEADMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825284915 608355224 /nfs/dbraw/zinc/35/52/24/608355224.db2.gz CMTOBPRQTUNGHE-YOEHRIQHSA-N 1 1 386.500 2.392 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826168462 608358598 /nfs/dbraw/zinc/35/85/98/608358598.db2.gz NQTDJHKVVVMLCF-CYBMUJFWSA-N 1 1 388.472 2.222 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000826169088 608370378 /nfs/dbraw/zinc/37/03/78/608370378.db2.gz HUMYUNXPBDXQLE-MRXNPFEDSA-N 1 1 393.451 2.121 20 0 GEADMO Cc1cccc(OC[C@H](O)CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)c1 ZINC000826300006 608376002 /nfs/dbraw/zinc/37/60/02/608376002.db2.gz DKZGBODJFHICFD-OAHLLOKOSA-N 1 1 390.447 2.305 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(CCC[NH+](C)C)CC1 ZINC000824045061 608376063 /nfs/dbraw/zinc/37/60/63/608376063.db2.gz FKYYVJFWHRZAKW-HNNXBMFYSA-N 1 1 385.516 2.248 20 0 GEADMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824978969 608421084 /nfs/dbraw/zinc/42/10/84/608421084.db2.gz ZDAJAMSJTVYVPO-HNAYVOBHSA-N 1 1 395.511 2.394 20 0 GEADMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1CCS(=O)(=O)CC1 ZINC000824262037 608448604 /nfs/dbraw/zinc/44/86/04/608448604.db2.gz UQCRDTSGAFTEES-UHFFFAOYSA-N 1 1 377.514 2.150 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H](C)CO)c1-c1nn[nH]n1 ZINC000826233846 608456179 /nfs/dbraw/zinc/45/61/79/608456179.db2.gz XOZAKAHKKYFBFS-LBPRGKRZSA-N 1 1 389.504 2.041 20 0 GEADMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)CO)c1-c1nn[nH]n1 ZINC000826233846 608456180 /nfs/dbraw/zinc/45/61/80/608456180.db2.gz XOZAKAHKKYFBFS-LBPRGKRZSA-N 1 1 389.504 2.041 20 0 GEADMO Cc1[nH+]ccn1CCCOC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000826331456 608457627 /nfs/dbraw/zinc/45/76/27/608457627.db2.gz IZGCLHRLOQAUSR-QGZVFWFLSA-N 1 1 384.440 2.409 20 0 GEADMO O=c1cc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccn12 ZINC000826502047 608466923 /nfs/dbraw/zinc/46/69/23/608466923.db2.gz SGKDZTIXMSUILR-UHFFFAOYSA-N 1 1 385.431 2.164 20 0 GEADMO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000826150625 608478177 /nfs/dbraw/zinc/47/81/77/608478177.db2.gz IKXJFWQSDHHKHF-MRXNPFEDSA-N 1 1 386.843 2.436 20 0 GEADMO CCc1nn(C)c(CC)c1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825755361 608502407 /nfs/dbraw/zinc/50/24/07/608502407.db2.gz VMCQXKIKZNLZBK-UHFFFAOYSA-N 1 1 394.527 2.043 20 0 GEADMO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000826517679 608513295 /nfs/dbraw/zinc/51/32/95/608513295.db2.gz LLEFNJJVWPQBGM-YWZLYKJASA-N 1 1 382.512 2.335 20 0 GEADMO Clc1ccc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826352119 608517157 /nfs/dbraw/zinc/51/71/57/608517157.db2.gz OJGYHODAYZTATH-UHFFFAOYSA-N 1 1 394.870 2.490 20 0 GEADMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826473041 608517875 /nfs/dbraw/zinc/51/78/75/608517875.db2.gz IBQKMZASAPXLDG-UHFFFAOYSA-N 1 1 386.456 2.415 20 0 GEADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826473041 608517876 /nfs/dbraw/zinc/51/78/76/608517876.db2.gz IBQKMZASAPXLDG-UHFFFAOYSA-N 1 1 386.456 2.415 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1F ZINC000824599988 608557182 /nfs/dbraw/zinc/55/71/82/608557182.db2.gz VHKYWDIODFLPPG-NSHDSACASA-N 1 1 393.419 2.269 20 0 GEADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC000826299184 608560297 /nfs/dbraw/zinc/56/02/97/608560297.db2.gz UVPRJNCSBRFABB-CYBMUJFWSA-N 1 1 383.481 2.482 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446300008 649976908 /nfs/dbraw/zinc/97/69/08/649976908.db2.gz XGDJWWNBQPGJHZ-GYSYKLTISA-N 1 1 380.286 2.426 20 0 GEADMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826338792 608578839 /nfs/dbraw/zinc/57/88/39/608578839.db2.gz IJPLCGOVZDZQPL-MRVPVSSYSA-N 1 1 375.820 2.414 20 0 GEADMO C[C@@]1(CCCO)CCC[N@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824817644 608641639 /nfs/dbraw/zinc/64/16/39/608641639.db2.gz PYULUGYTVVJREE-KRWDZBQOSA-N 1 1 378.864 2.086 20 0 GEADMO CCn1cncc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825805044 608662850 /nfs/dbraw/zinc/66/28/50/608662850.db2.gz POOKAFONNBCIAC-INIZCTEOSA-N 1 1 377.456 2.458 20 0 GEADMO CCn1cncc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825805044 608662852 /nfs/dbraw/zinc/66/28/52/608662852.db2.gz POOKAFONNBCIAC-INIZCTEOSA-N 1 1 377.456 2.458 20 0 GEADMO CC(C)n1ccnc1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824377884 608685117 /nfs/dbraw/zinc/68/51/17/608685117.db2.gz QUGXCAOIBXRTMA-UHFFFAOYSA-N 1 1 386.529 2.414 20 0 GEADMO C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687693 /nfs/dbraw/zinc/68/76/93/608687693.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 1 1 396.495 2.337 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687700 /nfs/dbraw/zinc/68/77/00/608687700.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 1 1 396.495 2.337 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[n-]n2)o1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000825961953 608687703 /nfs/dbraw/zinc/68/77/03/608687703.db2.gz PQKBKRMDTQVDSR-IBGZPJMESA-N 1 1 396.495 2.337 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826232056 608699646 /nfs/dbraw/zinc/69/96/46/608699646.db2.gz IDAJFYVSYVQLSN-MRXNPFEDSA-N 1 1 388.479 2.221 20 0 GEADMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000825776047 608748046 /nfs/dbraw/zinc/74/80/46/608748046.db2.gz DJTRPNYJDOINQK-UHFFFAOYSA-N 1 1 376.515 2.054 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000824999215 608808880 /nfs/dbraw/zinc/80/88/80/608808880.db2.gz DZLOHSACBFMPAH-JQWIXIFHSA-N 1 1 393.398 2.169 20 0 GEADMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1coc2ccccc12 ZINC000824999831 608834468 /nfs/dbraw/zinc/83/44/68/608834468.db2.gz KMCPPGWHJYGSLA-CYBMUJFWSA-N 1 1 376.424 2.114 20 0 GEADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502994 608842501 /nfs/dbraw/zinc/84/25/01/608842501.db2.gz NZCQRRYAESRUFQ-HOCLYGCPSA-N 1 1 379.424 2.196 20 0 GEADMO Cc1nn(C)c(N(C)C)c1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826334347 608858614 /nfs/dbraw/zinc/85/86/14/608858614.db2.gz RHTTYZNQSGCKLR-UHFFFAOYSA-N 1 1 378.484 2.264 20 0 GEADMO CC[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181066 609140681 /nfs/dbraw/zinc/14/06/81/609140681.db2.gz BWWNTADSHNCITF-RBUKOAKNSA-N 1 1 398.511 2.106 20 0 GEADMO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576998 609145994 /nfs/dbraw/zinc/14/59/94/609145994.db2.gz FTLOJYYSSDHRFI-BTYIYWSLSA-N 1 1 396.470 2.293 20 0 GEADMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824906754 609148695 /nfs/dbraw/zinc/14/86/95/609148695.db2.gz DQRZKFQWCOXGQL-BNOWGMLFSA-N 1 1 385.390 2.269 20 0 GEADMO [NH3+][C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000446405710 649979419 /nfs/dbraw/zinc/97/94/19/649979419.db2.gz MCBAAQBQHUJMPZ-VHSXEESVSA-N 1 1 384.221 2.167 20 0 GEADMO CC[C@@H]1C[C@H](C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000825183771 609171316 /nfs/dbraw/zinc/17/13/16/609171316.db2.gz PRPTWEKVTSFHKV-UKRRQHHQSA-N 1 1 387.488 2.059 20 0 GEADMO O[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506303 609282723 /nfs/dbraw/zinc/28/27/23/609282723.db2.gz RIIPNYRZZZIQMZ-FQEVSTJZSA-N 1 1 383.427 2.368 20 0 GEADMO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824477650 609315802 /nfs/dbraw/zinc/31/58/02/609315802.db2.gz BNDIIECHJHFCMK-GOEBONIOSA-N 1 1 383.500 2.048 20 0 GEADMO C[C@@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824522877 609316059 /nfs/dbraw/zinc/31/60/59/609316059.db2.gz WBZOVWRFGXHNPZ-NEPJUHHUSA-N 1 1 389.891 2.298 20 0 GEADMO Cn1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825856059 609341359 /nfs/dbraw/zinc/34/13/59/609341359.db2.gz MMGGAASNTXVJSF-ZWKOTPCHSA-N 1 1 380.500 2.230 20 0 GEADMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826390895 609359853 /nfs/dbraw/zinc/35/98/53/609359853.db2.gz QMOAVXMELDPHIS-LLVKDONJSA-N 1 1 393.289 2.107 20 0 GEADMO O[C@H]1CC[N@@H+](Cc2ccccc2CNc2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000826507869 609388571 /nfs/dbraw/zinc/38/85/71/609388571.db2.gz XOVVMCQVTMIUFQ-HNNXBMFYSA-N 1 1 386.406 2.324 20 0 GEADMO COc1cc(C)c(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c(C)n1 ZINC000826178087 609408286 /nfs/dbraw/zinc/40/82/86/609408286.db2.gz JINJIFUAIZBQPH-UHFFFAOYSA-N 1 1 397.458 2.348 20 0 GEADMO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826493223 609410695 /nfs/dbraw/zinc/41/06/95/609410695.db2.gz ZSOSCWJSFGBMFE-SFHVURJKSA-N 1 1 398.492 2.273 20 0 GEADMO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826493223 609410696 /nfs/dbraw/zinc/41/06/96/609410696.db2.gz ZSOSCWJSFGBMFE-SFHVURJKSA-N 1 1 398.492 2.273 20 0 GEADMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826318119 609417716 /nfs/dbraw/zinc/41/77/16/609417716.db2.gz WORRJDGIDIKEBP-SWLSCSKDSA-N 1 1 383.481 2.478 20 0 GEADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)C[C@H](C)O1 ZINC000824984728 609464497 /nfs/dbraw/zinc/46/44/97/609464497.db2.gz MZVGRUXSBGXJBL-STQMWFEESA-N 1 1 381.440 2.056 20 0 GEADMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429868 609496038 /nfs/dbraw/zinc/49/60/38/609496038.db2.gz OUJJRMCEGMJQDP-CGTJXYLNSA-N 1 1 391.479 2.225 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(OC)c1 ZINC000825395364 609504156 /nfs/dbraw/zinc/50/41/56/609504156.db2.gz OLUPJNMPDMRLTC-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(OC)c1 ZINC000825395364 609504158 /nfs/dbraw/zinc/50/41/58/609504158.db2.gz OLUPJNMPDMRLTC-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)s3)sc2C1 ZINC000824301398 609517249 /nfs/dbraw/zinc/51/72/49/609517249.db2.gz XFCWFOVCVKPSLF-UHFFFAOYSA-N 1 1 375.483 2.404 20 0 GEADMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)s3)sc2C1 ZINC000824301398 609517253 /nfs/dbraw/zinc/51/72/53/609517253.db2.gz XFCWFOVCVKPSLF-UHFFFAOYSA-N 1 1 375.483 2.404 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000446478058 649981635 /nfs/dbraw/zinc/98/16/35/649981635.db2.gz RJSCQGOXPOMBGB-NEPJUHHUSA-N 1 1 397.317 2.470 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000446478061 649981723 /nfs/dbraw/zinc/98/17/23/649981723.db2.gz RJSCQGOXPOMBGB-VXGBXAGGSA-N 1 1 397.317 2.470 20 0 GEADMO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521414 609595170 /nfs/dbraw/zinc/59/51/70/609595170.db2.gz LIKZEPDZZFJBFN-BBWFWOEESA-N 1 1 376.468 2.369 20 0 GEADMO Cc1nc(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n[nH]1 ZINC000826325949 609596480 /nfs/dbraw/zinc/59/64/80/609596480.db2.gz RYUOGTPXTXTQEX-UHFFFAOYSA-N 1 1 390.451 2.205 20 0 GEADMO Cc1nnc(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[nH]1 ZINC000826325949 609596481 /nfs/dbraw/zinc/59/64/81/609596481.db2.gz RYUOGTPXTXTQEX-UHFFFAOYSA-N 1 1 390.451 2.205 20 0 GEADMO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCC[C@H]3CCOC3)c2c1 ZINC000826370043 609603772 /nfs/dbraw/zinc/60/37/72/609603772.db2.gz AYGVLTROEXOVTF-JTQLQIEISA-N 1 1 376.367 2.277 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446546576 649983261 /nfs/dbraw/zinc/98/32/61/649983261.db2.gz JLYPDADXSUGRGB-TXEJJXNPSA-N 1 1 383.290 2.162 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ncc1Br ZINC000446547710 649983440 /nfs/dbraw/zinc/98/34/40/649983440.db2.gz NIMRLJKAWYEVCD-BETUJISGSA-N 1 1 397.317 2.470 20 0 GEADMO COC[C@H](C)OC[C@H](O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000446702967 649986898 /nfs/dbraw/zinc/98/68/98/649986898.db2.gz VZIOJZRQXKMMPA-SWLSCSKDSA-N 1 1 376.291 2.302 20 0 GEADMO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000446782484 649988438 /nfs/dbraw/zinc/98/84/38/649988438.db2.gz YWZNLFTZVJHPOI-JTQLQIEISA-N 1 1 386.677 2.394 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)CC[NH2+]1 ZINC000447516811 650007194 /nfs/dbraw/zinc/00/71/94/650007194.db2.gz ICWDLQBQDBDFJW-WPRPVWTQSA-N 1 1 384.221 2.038 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)ncc1Br ZINC000447420690 650006517 /nfs/dbraw/zinc/00/65/17/650006517.db2.gz CDCJEZVUAMSPJZ-UHFFFAOYSA-N 1 1 397.317 2.329 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448877335 650024478 /nfs/dbraw/zinc/02/44/78/650024478.db2.gz FFHKOCZEAURHCE-GFCCVEGCSA-N 1 1 380.290 2.490 20 0 GEADMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2Br)CC12COC2 ZINC000449363874 650038960 /nfs/dbraw/zinc/03/89/60/650038960.db2.gz MQVHICYEIIWMTF-CQSZACIVSA-N 1 1 384.270 2.469 20 0 GEADMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2Br)CC12COC2 ZINC000449363874 650038963 /nfs/dbraw/zinc/03/89/63/650038963.db2.gz MQVHICYEIIWMTF-CQSZACIVSA-N 1 1 384.270 2.469 20 0 GEADMO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1nn(C)cc1Br ZINC000449484718 650041539 /nfs/dbraw/zinc/04/15/39/650041539.db2.gz NGHDVINNLYZOSX-LLVKDONJSA-N 1 1 391.269 2.347 20 0 GEADMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450235636 650062585 /nfs/dbraw/zinc/06/25/85/650062585.db2.gz YHVGKTYNAVDVFV-CQSZACIVSA-N 1 1 377.457 2.423 20 0 GEADMO CCOCC[N@H+]1CCN(c2ccc(I)cn2)C[C@H]1C ZINC000450312183 650063814 /nfs/dbraw/zinc/06/38/14/650063814.db2.gz KZDOJERWOAAQJF-GFCCVEGCSA-N 1 1 375.254 2.233 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC[N@@H+]1CCO ZINC000450807786 650070768 /nfs/dbraw/zinc/07/07/68/650070768.db2.gz HEERLPUAHVOBQO-SNVBAGLBSA-N 1 1 384.249 2.208 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC[N@H+]1CCO ZINC000450807786 650070771 /nfs/dbraw/zinc/07/07/71/650070771.db2.gz HEERLPUAHVOBQO-SNVBAGLBSA-N 1 1 384.249 2.208 20 0 GEADMO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Br)ccc2C)C[C@@H]1c1cnn(C)c1 ZINC000450965282 650076768 /nfs/dbraw/zinc/07/67/68/650076768.db2.gz HATYCHBDTARHFZ-SJORKVTESA-N 1 1 391.313 2.453 20 0 GEADMO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000451047564 650081969 /nfs/dbraw/zinc/08/19/69/650081969.db2.gz UCHKEAXEFXQWJH-UHFFFAOYSA-N 1 1 378.376 2.144 20 0 GEADMO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000451057600 650082545 /nfs/dbraw/zinc/08/25/45/650082545.db2.gz UEDRSBWJHIUEGD-HUUCEWRRSA-N 1 1 386.901 2.340 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)CCc2scnc2C)[C@H](C)C1 ZINC000451210641 650096651 /nfs/dbraw/zinc/09/66/51/650096651.db2.gz ROABMBNUWSBPRN-ZBFHGGJFSA-N 1 1 389.587 2.050 20 0 GEADMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000451261312 650099079 /nfs/dbraw/zinc/09/90/79/650099079.db2.gz VUIWSNXWPXHHQO-SMDDNHRTSA-N 1 1 388.249 2.323 20 0 GEADMO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCSC1 ZINC000451273433 650099870 /nfs/dbraw/zinc/09/98/70/650099870.db2.gz ILOMWDZLZZXUBE-CYBMUJFWSA-N 1 1 384.445 2.127 20 0 GEADMO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451191205 650094836 /nfs/dbraw/zinc/09/48/36/650094836.db2.gz MNVWJZOUEMNRSE-YPMHNXCESA-N 1 1 397.264 2.440 20 0 GEADMO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451191205 650094840 /nfs/dbraw/zinc/09/48/40/650094840.db2.gz MNVWJZOUEMNRSE-YPMHNXCESA-N 1 1 397.264 2.440 20 0 GEADMO O=C1NCCC[C@H]1[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451193490 650095233 /nfs/dbraw/zinc/09/52/33/650095233.db2.gz PWHOEHYWPFTLEK-DZGCQCFKSA-N 1 1 384.261 2.434 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000451331287 650104269 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GEADMO C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@H+](C2CC2)C1 ZINC000452171266 650176531 /nfs/dbraw/zinc/17/65/31/650176531.db2.gz PLMVPVMQKLCUQI-LBPRGKRZSA-N 1 1 398.301 2.057 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC[N@H+](C2CC2)C1 ZINC000452171044 650176611 /nfs/dbraw/zinc/17/66/11/650176611.db2.gz NQTRCUZCSDFVHL-LBPRGKRZSA-N 1 1 385.917 2.268 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c(F)ccc(Br)c1F ZINC000452350094 650180745 /nfs/dbraw/zinc/18/07/45/650180745.db2.gz CBXQPJXVNDLPSA-JTQLQIEISA-N 1 1 377.229 2.304 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)c2c1OCCC2 ZINC000452366046 650182294 /nfs/dbraw/zinc/18/22/94/650182294.db2.gz OIUVTLVSOUDRKR-ZDUSSCGKSA-N 1 1 397.313 2.351 20 0 GEADMO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452374157 650182531 /nfs/dbraw/zinc/18/25/31/650182531.db2.gz WKPSZYCXIZUJCJ-LLVKDONJSA-N 1 1 391.256 2.233 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccnc(SCC(F)(F)F)c1 ZINC000452374493 650182613 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O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452847488 650199404 /nfs/dbraw/zinc/19/94/04/650199404.db2.gz NGFXQGCUHBXHCW-NVXWUHKLSA-N 1 1 378.314 2.155 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000452981310 650202230 /nfs/dbraw/zinc/20/22/30/650202230.db2.gz WYJOCAYYWAZKTB-YGRLFVJLSA-N 1 1 376.254 2.479 20 0 GEADMO Cn1cc(I)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000453386986 650208916 /nfs/dbraw/zinc/20/89/16/650208916.db2.gz VVLOYPZAQUWYFH-HONMWMINSA-N 1 1 387.265 2.462 20 0 GEADMO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1Br ZINC000453649025 650212145 /nfs/dbraw/zinc/21/21/45/650212145.db2.gz GCGACIOZBZLOIC-SNVBAGLBSA-N 1 1 388.693 2.417 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000453610988 650210531 /nfs/dbraw/zinc/21/05/31/650210531.db2.gz RJCDXLQAOCGYFG-NWDGAFQWSA-N 1 1 397.317 2.470 20 0 GEADMO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(Br)c1 ZINC000453629369 650211224 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NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454172204 650257437 /nfs/dbraw/zinc/25/74/37/650257437.db2.gz CVPCGQCZOFZOAG-NSHDSACASA-N 1 1 380.901 2.267 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000454450553 650266928 /nfs/dbraw/zinc/26/69/28/650266928.db2.gz ZWRCUWKJLCYQJQ-AWEZNQCLSA-N 1 1 388.281 2.453 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454499267 650268239 /nfs/dbraw/zinc/26/82/39/650268239.db2.gz PLTAFCLESACZGC-OAHLLOKOSA-N 1 1 399.333 2.175 20 0 GEADMO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000454633130 650273780 /nfs/dbraw/zinc/27/37/80/650273780.db2.gz QQADTTCSCGIKKE-OAHLLOKOSA-N 1 1 387.933 2.287 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000454633130 650273784 /nfs/dbraw/zinc/27/37/84/650273784.db2.gz QQADTTCSCGIKKE-OAHLLOKOSA-N 1 1 387.933 2.287 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454642849 650274269 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C[N@@H+](CCc1cccc(Br)c1)CC(=O)NCCCN1CCCC1=O ZINC000463413786 650495168 /nfs/dbraw/zinc/49/51/68/650495168.db2.gz IHNQMERNDCPNMJ-UHFFFAOYSA-N 1 1 396.329 2.052 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000509623117 650497379 /nfs/dbraw/zinc/49/73/79/650497379.db2.gz DPGHYSUUWNQMFA-BBRMVZONSA-N 1 1 390.933 2.451 20 0 GEADMO CC[N@H+](CCOc1ccc(Br)cc1)CCS(=O)(=O)N(C)C ZINC000509659790 650498484 /nfs/dbraw/zinc/49/84/84/650498484.db2.gz YTAOQJPDTSRICD-UHFFFAOYSA-N 1 1 379.320 2.041 20 0 GEADMO CC[N@@H+](CCOc1ccc(Br)cc1)CCS(=O)(=O)N(C)C ZINC000509659790 650498486 /nfs/dbraw/zinc/49/84/86/650498486.db2.gz YTAOQJPDTSRICD-UHFFFAOYSA-N 1 1 379.320 2.041 20 0 GEADMO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000509780739 650500614 /nfs/dbraw/zinc/50/06/14/650500614.db2.gz BIFMPORSEAGFRY-AWEZNQCLSA-N 1 1 377.286 2.435 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000509956894 650504412 /nfs/dbraw/zinc/50/44/12/650504412.db2.gz 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C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000522069720 650621864 /nfs/dbraw/zinc/62/18/64/650621864.db2.gz CFKAOMPGIQABMF-WCQYABFASA-N 1 1 377.710 2.478 20 0 GEADMO C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000522069720 650621867 /nfs/dbraw/zinc/62/18/67/650621867.db2.gz CFKAOMPGIQABMF-WCQYABFASA-N 1 1 377.710 2.478 20 0 GEADMO CC(C)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000480529956 650624029 /nfs/dbraw/zinc/62/40/29/650624029.db2.gz OZRYVDVKFYJEDL-INIZCTEOSA-N 1 1 380.330 2.233 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000480533517 650624428 /nfs/dbraw/zinc/62/44/28/650624428.db2.gz BWSUGSWDHVEUPV-LBPRGKRZSA-N 1 1 391.331 2.468 20 0 GEADMO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000480679053 650627812 /nfs/dbraw/zinc/62/78/12/650627812.db2.gz UWAKCBHNUBMLKV-UHFFFAOYSA-N 1 1 377.279 2.365 20 0 GEADMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1C ZINC000522982326 650630443 /nfs/dbraw/zinc/63/04/43/650630443.db2.gz 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Cc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1I ZINC000489019703 650753642 /nfs/dbraw/zinc/75/36/42/650753642.db2.gz YPIZGPUPZIWHFL-UHFFFAOYSA-N 1 1 390.290 2.378 20 0 GEADMO C[C@H](C(=O)N[C@@H](C)Cc1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000533716562 650764534 /nfs/dbraw/zinc/76/45/34/650764534.db2.gz MFOHJFISSTWJIR-QWHCGFSZSA-N 1 1 386.309 2.271 20 0 GEADMO COCC[N@@H+](Cc1ccnn1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000489882982 650765119 /nfs/dbraw/zinc/76/51/19/650765119.db2.gz ICGPNGIIYYQPNF-MRXNPFEDSA-N 1 1 398.301 2.071 20 0 GEADMO COCC[N@H+](Cc1ccnn1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000489882982 650765121 /nfs/dbraw/zinc/76/51/21/650765121.db2.gz ICGPNGIIYYQPNF-MRXNPFEDSA-N 1 1 398.301 2.071 20 0 GEADMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000042375413 642552314 /nfs/dbraw/zinc/55/23/14/642552314.db2.gz FIZDFWHSLRVMMI-VIFPVBQESA-N 1 1 398.120 2.194 20 0 GEADMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000042375413 642552317 /nfs/dbraw/zinc/55/23/17/642552317.db2.gz FIZDFWHSLRVMMI-VIFPVBQESA-N 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Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412114763 648044005 /nfs/dbraw/zinc/04/40/05/648044005.db2.gz YCBOSLFIVSRRJJ-HOCLYGCPSA-N 1 1 399.329 2.460 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+](C)C1 ZINC000413908029 648083767 /nfs/dbraw/zinc/08/37/67/648083767.db2.gz UJNSAFGHVVZISD-OAHLLOKOSA-N 1 1 397.313 2.335 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@H+](C)C1 ZINC000413908256 648083874 /nfs/dbraw/zinc/08/38/74/648083874.db2.gz UPVJTFYTSXZLPI-JTQLQIEISA-N 1 1 375.252 2.179 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@@H+](C)C1 ZINC000413908256 648083877 /nfs/dbraw/zinc/08/38/77/648083877.db2.gz UPVJTFYTSXZLPI-JTQLQIEISA-N 1 1 375.252 2.179 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)C(C)(C)c2ccccc2Br)CC[N@@H+](C)C1 ZINC000413912560 648085332 /nfs/dbraw/zinc/08/53/32/648085332.db2.gz ZWSQJWANSLIGBV-CYBMUJFWSA-N 1 1 397.313 2.290 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000416432114 648126202 /nfs/dbraw/zinc/12/62/02/648126202.db2.gz JIURKFZKUZRRCU-JSGCOSHPSA-N 1 1 386.901 2.231 20 0 GEADMO COc1cc(S(=O)(=O)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1Cl ZINC000416467476 648135046 /nfs/dbraw/zinc/13/50/46/648135046.db2.gz BXUXLWHIUNFRDE-CYBMUJFWSA-N 1 1 376.906 2.128 20 0 GEADMO COc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000416555127 648169790 /nfs/dbraw/zinc/16/97/90/648169790.db2.gz KGKZSVMKLBXHNT-LBPRGKRZSA-N 1 1 391.331 2.468 20 0 GEADMO COc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000416896395 648216060 /nfs/dbraw/zinc/21/60/60/648216060.db2.gz PFRSWSUZAOARPL-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO COc1cc(Br)cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000416949682 648218475 /nfs/dbraw/zinc/21/84/75/648218475.db2.gz LMKILRWIOVVNFQ-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO COc1cc(Br)cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000416949682 648218478 /nfs/dbraw/zinc/21/84/78/648218478.db2.gz LMKILRWIOVVNFQ-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000417173956 648228516 /nfs/dbraw/zinc/22/85/16/648228516.db2.gz HHJARLWFBNXJQZ-HNNXBMFYSA-N 1 1 376.245 2.474 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417602232 648255588 /nfs/dbraw/zinc/25/55/88/648255588.db2.gz NJVCJJYQFIJKEE-DYVFJYSZSA-N 1 1 399.308 2.371 20 0 GEADMO CN(C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CC[NH2+]CC1 ZINC000417727386 648259648 /nfs/dbraw/zinc/25/96/48/648259648.db2.gz LMUZABONZGAWHU-UHFFFAOYSA-N 1 1 393.289 2.128 20 0 GEADMO CN(C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC[NH2+]CC1 ZINC000417727386 648259655 /nfs/dbraw/zinc/25/96/55/648259655.db2.gz LMUZABONZGAWHU-UHFFFAOYSA-N 1 1 393.289 2.128 20 0 GEADMO C[NH2+]C[C@H]1CCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417730855 648259877 /nfs/dbraw/zinc/25/98/77/648259877.db2.gz OHIUSZLEBJRJLE-CYBMUJFWSA-N 1 1 393.289 2.128 20 0 GEADMO C[NH2+]C[C@H]1CCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417730855 648259882 /nfs/dbraw/zinc/25/98/82/648259882.db2.gz OHIUSZLEBJRJLE-CYBMUJFWSA-N 1 1 393.289 2.128 20 0 GEADMO CC1(C)CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000417739670 648260776 /nfs/dbraw/zinc/26/07/76/648260776.db2.gz WWDHDAJVHZOKOK-UHFFFAOYSA-N 1 1 393.289 2.128 20 0 GEADMO CC1(C)CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]1 ZINC000417739670 648260784 /nfs/dbraw/zinc/26/07/84/648260784.db2.gz WWDHDAJVHZOKOK-UHFFFAOYSA-N 1 1 393.289 2.128 20 0 GEADMO C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000417742273 648260893 /nfs/dbraw/zinc/26/08/93/648260893.db2.gz ZYWWHWKNMCZOSQ-GWCFXTLKSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[C@@H]1[NH3+] ZINC000417742273 648260897 /nfs/dbraw/zinc/26/08/97/648260897.db2.gz ZYWWHWKNMCZOSQ-GWCFXTLKSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094981 648279243 /nfs/dbraw/zinc/27/92/43/648279243.db2.gz IQOBOXYXMGCVDZ-YOEHRIQHSA-N 1 1 399.308 2.371 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(F)cc1I ZINC000418117411 648281896 /nfs/dbraw/zinc/28/18/96/648281896.db2.gz RPNIOBHBEPCKBV-VXGBXAGGSA-N 1 1 392.256 2.317 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000418115195 648282113 /nfs/dbraw/zinc/28/21/13/648282113.db2.gz PBBFQONAGKTUAI-ZIAGYGMSSA-N 1 1 399.329 2.497 20 0 GEADMO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCC(F)(F)C[NH3+] ZINC000418522673 648299390 /nfs/dbraw/zinc/29/93/90/648299390.db2.gz JIQHHGNLMNDLGI-UHFFFAOYSA-N 1 1 397.253 2.235 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007217 648327280 /nfs/dbraw/zinc/32/72/80/648327280.db2.gz UCQCKBUUKYWXAF-RYUDHWBXSA-N 1 1 387.322 2.308 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[C@@H]1n1cccn1 ZINC000419200664 648340992 /nfs/dbraw/zinc/34/09/92/648340992.db2.gz XERZKSDSHKSIFX-JJXSEGSLSA-N 1 1 393.285 2.180 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)[C@@H]1n1cccn1 ZINC000419202690 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384.318 2.354 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419448358 648353561 /nfs/dbraw/zinc/35/35/61/648353561.db2.gz BWNYVGMHAMHJHY-UONOGXRCSA-N 1 1 384.318 2.354 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419492459 648354450 /nfs/dbraw/zinc/35/44/50/648354450.db2.gz LKXZVIOERYCJFU-UONOGXRCSA-N 1 1 384.318 2.354 20 0 GEADMO OC[C@@H]([NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCCO1 ZINC000419734063 648372613 /nfs/dbraw/zinc/37/26/13/648372613.db2.gz UWDBCTZIEUSEDJ-NEPJUHHUSA-N 1 1 380.080 2.236 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000420149197 648405937 /nfs/dbraw/zinc/40/59/37/648405937.db2.gz HPBSZSRVAHNLPO-UHFFFAOYSA-N 1 1 392.233 2.319 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420155259 648406662 /nfs/dbraw/zinc/40/66/62/648406662.db2.gz UDGFNLQGKMIZHE-UHFFFAOYSA-N 1 1 391.871 2.133 20 0 GEADMO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000420794456 648456521 /nfs/dbraw/zinc/45/65/21/648456521.db2.gz KZCBGRAQKMVFNC-KGLIPLIRSA-N 1 1 396.329 2.474 20 0 GEADMO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000420794458 648456933 /nfs/dbraw/zinc/45/69/33/648456933.db2.gz KZCBGRAQKMVFNC-ZIAGYGMSSA-N 1 1 396.329 2.474 20 0 GEADMO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000420810360 648457579 /nfs/dbraw/zinc/45/75/79/648457579.db2.gz ZJRQJJNGNDQRHQ-IUODEOHRSA-N 1 1 382.302 2.179 20 0 GEADMO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@H+]1C ZINC000421003329 648461850 /nfs/dbraw/zinc/46/18/50/648461850.db2.gz RWFYNZYTLDJDGA-HUUCEWRRSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000421003329 648461853 /nfs/dbraw/zinc/46/18/53/648461853.db2.gz RWFYNZYTLDJDGA-HUUCEWRRSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000421003329 648461858 /nfs/dbraw/zinc/46/18/58/648461858.db2.gz RWFYNZYTLDJDGA-HUUCEWRRSA-N 1 1 375.282 2.354 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCc3c2cccc3Br)CC[N@H+]1C ZINC000421224399 648473420 /nfs/dbraw/zinc/47/34/20/648473420.db2.gz LFAJJYAEVLDATQ-STQMWFEESA-N 1 1 394.313 2.279 20 0 GEADMO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1F ZINC000421304165 648487265 /nfs/dbraw/zinc/48/72/65/648487265.db2.gz SZRVJQJSMCCENW-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO C[N@@H+](CCCCNC(=O)C(=O)NCCc1ccc(Br)cc1)C1CC1 ZINC000421372574 648488962 /nfs/dbraw/zinc/48/89/62/648488962.db2.gz DJQXAIMFDWVABI-UHFFFAOYSA-N 1 1 396.329 2.098 20 0 GEADMO CCN1CCC([N@H+]2CCCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000421379321 648489339 /nfs/dbraw/zinc/48/93/39/648489339.db2.gz UJPDRMDBRFQPNK-UHFFFAOYSA-N 1 1 398.393 2.483 20 0 GEADMO CC[NH+]1CCC(N2CCCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000421379321 648489343 /nfs/dbraw/zinc/48/93/43/648489343.db2.gz UJPDRMDBRFQPNK-UHFFFAOYSA-N 1 1 398.393 2.483 20 0 GEADMO COc1cc(Br)c(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1OC ZINC000422946278 648578429 /nfs/dbraw/zinc/57/84/29/648578429.db2.gz OROJOSZMSPBVFB-IAGOWNOFSA-N 1 1 385.302 2.323 20 0 GEADMO CN1CC[NH2+]C[C@@H]1CN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423531186 648594754 /nfs/dbraw/zinc/59/47/54/648594754.db2.gz ZPKBSSJAJXKHOA-MSOLQXFVSA-N 1 1 382.346 2.410 20 0 GEADMO COc1ncc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000424559415 648634887 /nfs/dbraw/zinc/63/48/87/648634887.db2.gz KDIVZCHATGQXDR-TXEJJXNPSA-N 1 1 386.290 2.082 20 0 GEADMO COc1ncc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000424662670 648637365 /nfs/dbraw/zinc/63/73/65/648637365.db2.gz JSVQTFCLDKZFAG-CYBMUJFWSA-N 1 1 398.301 2.037 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424736800 648642548 /nfs/dbraw/zinc/64/25/48/648642548.db2.gz KVJCVSNWVWNBHX-CYBMUJFWSA-N 1 1 385.302 2.295 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@@H](C)C1 ZINC000424804318 648648670 /nfs/dbraw/zinc/64/86/70/648648670.db2.gz ZTTZVGBWIZSHHM-NWDGAFQWSA-N 1 1 396.285 2.046 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@@H](C)C1 ZINC000424804318 648648672 /nfs/dbraw/zinc/64/86/72/648648672.db2.gz ZTTZVGBWIZSHHM-NWDGAFQWSA-N 1 1 396.285 2.046 20 0 GEADMO COC(=O)[C@H](NCc1c[nH+]c(N(C)C)n1C)c1ccc(Br)cc1 ZINC000425336460 648673825 /nfs/dbraw/zinc/67/38/25/648673825.db2.gz LBBUCNJOXHENDI-CQSZACIVSA-N 1 1 381.274 2.253 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)s1 ZINC000425457201 648678493 /nfs/dbraw/zinc/67/84/93/648678493.db2.gz JRCLQSZTPLKGHD-LBPRGKRZSA-N 1 1 382.511 2.248 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)s1 ZINC000425457201 648678496 /nfs/dbraw/zinc/67/84/96/648678496.db2.gz JRCLQSZTPLKGHD-LBPRGKRZSA-N 1 1 382.511 2.248 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425512581 648682603 /nfs/dbraw/zinc/68/26/03/648682603.db2.gz PXMBOIZPYVCJCA-JKSUJKDBSA-N 1 1 397.313 2.410 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425512581 648682607 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CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000427084143 648722895 /nfs/dbraw/zinc/72/28/95/648722895.db2.gz HUSQMHATOQPQBD-UHFFFAOYSA-N 1 1 383.905 2.197 20 0 GEADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429126833 648745095 /nfs/dbraw/zinc/74/50/95/648745095.db2.gz KQOGDHPGKVKRSB-INIZCTEOSA-N 1 1 392.974 2.462 20 0 GEADMO CN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000429848983 648754916 /nfs/dbraw/zinc/75/49/16/648754916.db2.gz JXAUPUURKSXXFH-OAHLLOKOSA-N 1 1 387.343 2.391 20 0 GEADMO CN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000429848983 648754918 /nfs/dbraw/zinc/75/49/18/648754918.db2.gz JXAUPUURKSXXFH-OAHLLOKOSA-N 1 1 387.343 2.391 20 0 GEADMO O=S(=O)([C@H]1CCC[N@@H+](CCSCc2ccccc2)C1)N1CCOCC1 ZINC000430760247 648767525 /nfs/dbraw/zinc/76/75/25/648767525.db2.gz GKNNFWGLIVSOBJ-SFHVURJKSA-N 1 1 384.567 2.046 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435210444 648782858 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CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H](C)c3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000661882611 652442639 /nfs/dbraw/zinc/44/26/39/652442639.db2.gz UJJZEQPPHTYJFU-KAOXEZKKSA-N 1 1 379.400 2.390 20 0 GEADMO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1C(F)(F)F ZINC000582275358 652443089 /nfs/dbraw/zinc/44/30/89/652443089.db2.gz PZPINJYWPNIHOM-PSASIEDQSA-N 1 1 378.420 2.350 20 0 GEADMO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000582295997 652444098 /nfs/dbraw/zinc/44/40/98/652444098.db2.gz CXCYETDNUCQLHQ-ZBFHGGJFSA-N 1 1 382.913 2.028 20 0 GEADMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662017619 652445580 /nfs/dbraw/zinc/44/55/80/652445580.db2.gz TYHKCRFNTTZKTA-UONOGXRCSA-N 1 1 390.311 2.421 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000582336844 652446002 /nfs/dbraw/zinc/44/60/02/652446002.db2.gz BOXLSGYUMJDMMX-LBPRGKRZSA-N 1 1 376.320 2.109 20 0 GEADMO CC(C)(C[NH+]1CCCC1)NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000662075296 652447200 /nfs/dbraw/zinc/44/72/00/652447200.db2.gz BKJWWXNEDXXORV-UHFFFAOYSA-N 1 1 378.947 2.307 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@]1(C)CO ZINC000662150707 652449041 /nfs/dbraw/zinc/44/90/41/652449041.db2.gz RSNYYXJGNZYJKY-ABAIWWIYSA-N 1 1 375.332 2.419 20 0 GEADMO Cc1cccc(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000628146116 652453186 /nfs/dbraw/zinc/45/31/86/652453186.db2.gz DWLRPUAYTFZQKH-MRXNPFEDSA-N 1 1 381.314 2.358 20 0 GEADMO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1Br ZINC000662387031 652458381 /nfs/dbraw/zinc/45/83/81/652458381.db2.gz CLVMIXBPPQGMDW-CJNGLKHVSA-N 1 1 394.313 2.214 20 0 GEADMO CCS(=O)(=O)N(C)CCCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662386255 652458391 /nfs/dbraw/zinc/45/83/91/652458391.db2.gz ZZBOVSFTDFMCKF-CQSZACIVSA-N 1 1 396.340 2.042 20 0 GEADMO [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000662389243 652458739 /nfs/dbraw/zinc/45/87/39/652458739.db2.gz UMHGXGHDWFTWFO-DOMZBBRYSA-N 1 1 390.285 2.024 20 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/nfs/dbraw/zinc/46/37/39/652463739.db2.gz JQMCFNSGJHLISF-MJEQTWJJSA-N 1 1 386.323 2.433 20 0 GEADMO Cn1cc(C[C@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)cn1 ZINC000662487414 652464105 /nfs/dbraw/zinc/46/41/05/652464105.db2.gz SHTHHTAZMJMLQS-MLGOLLRUSA-N 1 1 377.286 2.274 20 0 GEADMO CCc1n[nH]c(=O)c(CNC(=O)[C@H]([NH3+])c2ccccc2Br)c1CC ZINC000662501874 652464877 /nfs/dbraw/zinc/46/48/77/652464877.db2.gz FQGBEHLQONLVCO-OAHLLOKOSA-N 1 1 393.285 2.386 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCCN(CC(F)F)CC1)c1ccccc1Br ZINC000662509047 652465258 /nfs/dbraw/zinc/46/52/58/652465258.db2.gz HUIPCZTXACRYKB-CQSZACIVSA-N 1 1 376.245 2.248 20 0 GEADMO NC(=O)CN(Cc1ccccc1)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662594850 652469302 /nfs/dbraw/zinc/46/93/02/652469302.db2.gz SGRRWTPSZVVAES-UHFFFAOYSA-N 1 1 394.294 2.242 20 0 GEADMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000583020641 652471120 /nfs/dbraw/zinc/47/11/20/652471120.db2.gz QLJJQWZPCRYZQE-CYBMUJFWSA-N 1 1 383.290 2.325 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000628794054 652471399 /nfs/dbraw/zinc/47/13/99/652471399.db2.gz OKCUJKBXBVZBGB-LLVKDONJSA-N 1 1 379.258 2.236 20 0 GEADMO Cc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Br)n1 ZINC000755731861 652473901 /nfs/dbraw/zinc/47/39/01/652473901.db2.gz YQMSXLGUUGFGSI-AWEZNQCLSA-N 1 1 382.302 2.479 20 0 GEADMO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c2ccccc12 ZINC000755734222 652474170 /nfs/dbraw/zinc/47/41/70/652474170.db2.gz SJYRSFMEISUSQI-CYBMUJFWSA-N 1 1 377.286 2.287 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CC[C@@H](N3CCCC3)C2)c2ccccc12 ZINC000755734222 652474173 /nfs/dbraw/zinc/47/41/73/652474173.db2.gz SJYRSFMEISUSQI-CYBMUJFWSA-N 1 1 377.286 2.287 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CCC[C@H](C3OCCO3)C2)c2ccccc12 ZINC000755742695 652474574 /nfs/dbraw/zinc/47/45/74/652474574.db2.gz CNBLXSOXNZCKHL-LBPRGKRZSA-N 1 1 394.269 2.201 20 0 GEADMO [NH3+][C@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1Br ZINC000662824794 652475849 /nfs/dbraw/zinc/47/58/49/652475849.db2.gz YBRVEEZNDLKHAT-INIZCTEOSA-N 1 1 393.260 2.332 20 0 GEADMO O=C(CC[N@H+]1CCC[C@]12CCNC2=O)Nc1ccc(Br)cc1F ZINC000583211499 652477487 /nfs/dbraw/zinc/47/74/87/652477487.db2.gz AQSIXBSYAYVWEH-MRXNPFEDSA-N 1 1 384.249 2.271 20 0 GEADMO CC(C)(C)c1nnc2n1CCN(C(=O)[C@@H]([NH3+])c1ccccc1Br)C2 ZINC000662971316 652480122 /nfs/dbraw/zinc/48/01/22/652480122.db2.gz RUTWXOHQFQQRCR-AWEZNQCLSA-N 1 1 392.301 2.380 20 0 GEADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(Br)cc(Cl)c1O ZINC000583439441 652485083 /nfs/dbraw/zinc/48/50/83/652485083.db2.gz QEDKYVMLVRWYHP-JTQLQIEISA-N 1 1 390.665 2.005 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCc2cc(Br)ccc21 ZINC000583502075 652487631 /nfs/dbraw/zinc/48/76/31/652487631.db2.gz ZTTXTXGMWXAULZ-RDJZCZTQSA-N 1 1 381.314 2.442 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000583553787 652489655 /nfs/dbraw/zinc/48/96/55/652489655.db2.gz ZAMZPDCJHVBJNX-ZDUSSCGKSA-N 1 1 377.913 2.477 20 0 GEADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583787597 652496985 /nfs/dbraw/zinc/49/69/85/652496985.db2.gz HPGGXNJRJWCXHV-CZUORRHYSA-N 1 1 390.908 2.428 20 0 GEADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583787597 652496987 /nfs/dbraw/zinc/49/69/87/652496987.db2.gz HPGGXNJRJWCXHV-CZUORRHYSA-N 1 1 390.908 2.428 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cccc(NS(C)(=O)=O)c1)CCC(F)(F)F ZINC000756559999 652500694 /nfs/dbraw/zinc/50/06/94/652500694.db2.gz WJJSCPTYSIHFLZ-UHFFFAOYSA-N 1 1 381.420 2.062 20 0 GEADMO C[C@@](O)(CNc1cc(C(F)(F)F)c(Br)cn1)C[NH+]1CCOCC1 ZINC000583931503 652503158 /nfs/dbraw/zinc/50/31/58/652503158.db2.gz QTCCQLNJSHNJPS-CYBMUJFWSA-N 1 1 398.223 2.358 20 0 GEADMO C[N@@H+](CCN1CCN(c2cc(Br)cnn2)CC1)Cc1ccccc1 ZINC000663548174 652503683 /nfs/dbraw/zinc/50/36/83/652503683.db2.gz UVFJLHGUXUJAOA-UHFFFAOYSA-N 1 1 390.329 2.493 20 0 GEADMO CC(C)CNS(=O)(=O)c1cc(-c2nc(C[NH3+])no2)c(Cl)cc1Cl ZINC000584052349 652507172 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GEADMO CCc1ccc(Br)c(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000880958726 653718162 /nfs/dbraw/zinc/71/81/62/653718162.db2.gz IHJMTQOEQSKPLL-UHFFFAOYSA-N 1 1 397.317 2.343 20 0 GEADMO C[C@H](c1nc(C2(c3cccc(Br)c3)CC2)no1)N1CC[NH2+]CC1=O ZINC000863673421 653718373 /nfs/dbraw/zinc/71/83/73/653718373.db2.gz RIYHVDJFSLYFGI-LLVKDONJSA-N 1 1 391.269 2.405 20 0 GEADMO CCOc1ccc(Br)cc1-c1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000863666993 653718431 /nfs/dbraw/zinc/71/84/31/653718431.db2.gz JKDATSJMBHYRNM-SNVBAGLBSA-N 1 1 395.257 2.391 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1Br ZINC000786222181 653720119 /nfs/dbraw/zinc/72/01/19/653720119.db2.gz RVYUSAIFBFUGTG-LLVKDONJSA-N 1 1 387.299 2.398 20 0 GEADMO CC(C)c1nnnn1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000786222535 653720145 /nfs/dbraw/zinc/72/01/45/653720145.db2.gz WJTHMPPCDKEGPV-UHFFFAOYSA-N 1 1 381.278 2.259 20 0 GEADMO CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863834396 653721557 /nfs/dbraw/zinc/72/15/57/653721557.db2.gz JBSKHRZGQLHHDB-LSDHHAIUSA-N 1 1 375.296 2.236 20 0 GEADMO Fc1ccc(Br)cc1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881192943 653722220 /nfs/dbraw/zinc/72/22/20/653722220.db2.gz KONXIONEWHUKSF-UHFFFAOYSA-N 1 1 383.265 2.493 20 0 GEADMO O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000818002618 653723450 /nfs/dbraw/zinc/72/34/50/653723450.db2.gz ABXXHQHGIARXRX-OFLPRAFFSA-N 1 1 386.323 2.359 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1cccc2scnc21 ZINC000841515728 653724940 /nfs/dbraw/zinc/72/49/40/653724940.db2.gz DIUGGDZAAYTKBA-CYBMUJFWSA-N 1 1 381.523 2.170 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1cccc2scnc21 ZINC000841515728 653724943 /nfs/dbraw/zinc/72/49/43/653724943.db2.gz DIUGGDZAAYTKBA-CYBMUJFWSA-N 1 1 381.523 2.170 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881273389 653725810 /nfs/dbraw/zinc/72/58/10/653725810.db2.gz INKMUYDSFQSMSP-NSHDSACASA-N 1 1 397.273 2.338 20 0 GEADMO Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1Br ZINC000786747214 653727801 /nfs/dbraw/zinc/72/78/01/653727801.db2.gz ANHVUFBMPGFGCU-LSDHHAIUSA-N 1 1 382.302 2.420 20 0 GEADMO O=c1c2cc(Cl)ccc2nnn1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000841673785 653738409 /nfs/dbraw/zinc/73/84/09/653738409.db2.gz DVRTZBRYDCWVMK-UHFFFAOYSA-N 1 1 375.885 2.282 20 0 GEADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841689840 653739054 /nfs/dbraw/zinc/73/90/54/653739054.db2.gz GXISXDAPYMUHAX-UWVGGRQHSA-N 1 1 391.697 2.416 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841689840 653739057 /nfs/dbraw/zinc/73/90/57/653739057.db2.gz GXISXDAPYMUHAX-UWVGGRQHSA-N 1 1 391.697 2.416 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000841700219 653739304 /nfs/dbraw/zinc/73/93/04/653739304.db2.gz ZYNBKMKQZKNHHN-UHFFFAOYSA-N 1 1 391.299 2.387 20 0 GEADMO O=C(CCNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986586 653739910 /nfs/dbraw/zinc/73/99/10/653739910.db2.gz QDJIJTUBQLWJIR-HZPDHXFCSA-N 1 1 382.302 2.231 20 0 GEADMO O=C(CCNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc(Br)c1 ZINC000818986586 653739912 /nfs/dbraw/zinc/73/99/12/653739912.db2.gz QDJIJTUBQLWJIR-HZPDHXFCSA-N 1 1 382.302 2.231 20 0 GEADMO C[N@@H+](CCCNC(=O)Cn1ccc(Br)cc1=O)Cc1ccccc1 ZINC000864618285 653742323 /nfs/dbraw/zinc/74/23/23/653742323.db2.gz XQFGQHKMDCCZMD-UHFFFAOYSA-N 1 1 392.297 2.249 20 0 GEADMO C[C@](O)(C[NH2+]Cc1nnnn1C1CC1)c1ccc(Br)cc1Cl ZINC000819119278 653743884 /nfs/dbraw/zinc/74/38/84/653743884.db2.gz SRMCMDNJMPLDGN-AWEZNQCLSA-N 1 1 386.681 2.421 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000819201227 653746215 /nfs/dbraw/zinc/74/62/15/653746215.db2.gz KMKVSURUTNUHCF-OLZOCXBDSA-N 1 1 383.286 2.359 20 0 GEADMO CC(=O)N[C@H](C(=O)NCCC[N@H+](C)C(C)C)c1cccc(Br)c1 ZINC000864859354 653746944 /nfs/dbraw/zinc/74/69/44/653746944.db2.gz XNHCYSKYLZQYOV-INIZCTEOSA-N 1 1 384.318 2.473 20 0 GEADMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842206201 653748036 /nfs/dbraw/zinc/74/80/36/653748036.db2.gz AVWHQFOPAGBDOO-DTWKUNHWSA-N 1 1 378.782 2.243 20 0 GEADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842206201 653748038 /nfs/dbraw/zinc/74/80/38/653748038.db2.gz AVWHQFOPAGBDOO-DTWKUNHWSA-N 1 1 378.782 2.243 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842206812 653748307 /nfs/dbraw/zinc/74/83/07/653748307.db2.gz IHSYAJCKAKCUON-UHFFFAOYSA-N 1 1 378.782 2.245 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000842210321 653748594 /nfs/dbraw/zinc/74/85/94/653748594.db2.gz RKXZGXZABKPBAF-VIFPVBQESA-N 1 1 378.782 2.245 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000842210321 653748595 /nfs/dbraw/zinc/74/85/95/653748595.db2.gz RKXZGXZABKPBAF-VIFPVBQESA-N 1 1 378.782 2.245 20 0 GEADMO CON(C)C(=O)CC[NH2+]Cc1c(Br)cncc1Br ZINC000819338899 653749436 /nfs/dbraw/zinc/74/94/36/653749436.db2.gz DLVVMNMBGDWOFG-UHFFFAOYSA-N 1 1 381.068 2.106 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000864962321 653749695 /nfs/dbraw/zinc/74/96/95/653749695.db2.gz KDZTZBBFPQTGNA-BBRMVZONSA-N 1 1 382.302 2.084 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2ccc(Br)cc2=O)c1 ZINC000864978655 653750245 /nfs/dbraw/zinc/75/02/45/653750245.db2.gz HLJZKPYJMZHJEX-UHFFFAOYSA-N 1 1 392.297 2.379 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000865061465 653752531 /nfs/dbraw/zinc/75/25/31/653752531.db2.gz ZWYZHHSCJIBLBN-AGTSVGGPSA-N 1 1 391.309 2.314 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000881953007 653752594 /nfs/dbraw/zinc/75/25/94/653752594.db2.gz UXECEENIBDHUTF-IQMFZBJNSA-N 1 1 379.592 2.325 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)/C=C\[C@@H]2CCCO2)CC1 ZINC000819558734 653753016 /nfs/dbraw/zinc/75/30/16/653753016.db2.gz DILQIYKTYHZXSN-WSNITJDQSA-N 1 1 395.301 2.270 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(Br)n[nH]3)CC2)oc1C ZINC000788302603 653754129 /nfs/dbraw/zinc/75/41/29/653754129.db2.gz OXKPYKFVYMKODH-UHFFFAOYSA-N 1 1 396.289 2.419 20 0 GEADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc(Br)n[nH]1 ZINC000788305324 653754308 /nfs/dbraw/zinc/75/43/08/653754308.db2.gz HKKWPRNUZHHMRR-ZDUSSCGKSA-N 1 1 392.301 2.113 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3ccnc(Cl)c3s2)C1 ZINC000865118165 653754303 /nfs/dbraw/zinc/75/43/03/653754303.db2.gz WKRKIFHAFRJFQA-GFCCVEGCSA-N 1 1 380.901 2.267 20 0 GEADMO CC(=O)N[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc(Br)c1 ZINC000865142555 653755010 /nfs/dbraw/zinc/75/50/10/653755010.db2.gz HMJDLKLGXAJDNR-BDJLRTHQSA-N 1 1 382.302 2.225 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000819636008 653755107 /nfs/dbraw/zinc/75/51/07/653755107.db2.gz NMIYWNKTSBOXTD-UHFFFAOYSA-N 1 1 386.290 2.036 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC000865414828 653764671 /nfs/dbraw/zinc/76/46/71/653764671.db2.gz DUNNCDOWFALRDG-UHFFFAOYSA-N 1 1 384.299 2.384 20 0 GEADMO NS(=O)(=O)c1cc(Br)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000865485924 653766549 /nfs/dbraw/zinc/76/65/49/653766549.db2.gz GIJDQBMIFOLKJM-UHFFFAOYSA-N 1 1 385.287 2.204 20 0 GEADMO O[C@@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000865553758 653768278 /nfs/dbraw/zinc/76/82/78/653768278.db2.gz ADSPGARBJWBRFC-CVEARBPZSA-N 1 1 381.274 2.043 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865567307 653768825 /nfs/dbraw/zinc/76/88/25/653768825.db2.gz HZUQEDCZAQPGMR-GFCCVEGCSA-N 1 1 390.347 2.265 20 0 GEADMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ncc(Br)s2)[C@@H](O)C1 ZINC000865748706 653773797 /nfs/dbraw/zinc/77/37/97/653773797.db2.gz ZSFRAXOULNFQHN-UWVGGRQHSA-N 1 1 392.319 2.366 20 0 GEADMO COc1nc(Br)ccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000789394450 653774094 /nfs/dbraw/zinc/77/40/94/653774094.db2.gz VZOCUBRNSBQWHR-UHFFFAOYSA-N 1 1 375.292 2.023 20 0 GEADMO C/C(=C/c1ccc(Br)o1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000865801816 653775392 /nfs/dbraw/zinc/77/53/92/653775392.db2.gz DCFYXGGWDJKWHP-JFBXQDQPSA-N 1 1 384.318 2.445 20 0 GEADMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000789561125 653777355 /nfs/dbraw/zinc/77/73/55/653777355.db2.gz PPZAJVJWDINXJP-CYBMUJFWSA-N 1 1 378.226 2.429 20 0 GEADMO CSc1nc2ncnc(N[C@H]3CCc4c([nH+]c(C)n4CCO)C3)c2s1 ZINC000865903020 653779448 /nfs/dbraw/zinc/77/94/48/653779448.db2.gz BSSNMDDPFXLHGN-JTQLQIEISA-N 1 1 376.511 2.275 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000882489267 653784536 /nfs/dbraw/zinc/78/45/36/653784536.db2.gz PSKFLKCIVXUYTI-QMMMGPOBSA-N 1 1 380.176 2.393 20 0 GEADMO [NH3+][C@H](CC(F)F)c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000843231179 653782092 /nfs/dbraw/zinc/78/20/92/653782092.db2.gz XPAFFJDRWBBAPI-SECBINFHSA-N 1 1 375.173 2.417 20 0 GEADMO CN1CC[NH+](CCCNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000789946916 653783467 /nfs/dbraw/zinc/78/34/67/653783467.db2.gz OIWCJPFHRKNGQX-UHFFFAOYSA-N 1 1 378.826 2.050 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)cc1O ZINC000866046644 653784706 /nfs/dbraw/zinc/78/47/06/653784706.db2.gz YLYRUDOYCFGMRX-MFKMUULPSA-N 1 1 388.249 2.409 20 0 GEADMO Cn1ncc(I)c1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000866291777 653790335 /nfs/dbraw/zinc/79/03/35/653790335.db2.gz CBNAJFUPOAYSLY-UHFFFAOYSA-N 1 1 398.252 2.417 20 0 GEADMO O=C(c1nc(Br)sc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866379938 653791851 /nfs/dbraw/zinc/79/18/51/653791851.db2.gz RTXIZGKOMFWQQQ-VIFPVBQESA-N 1 1 394.722 2.353 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000790584158 653793529 /nfs/dbraw/zinc/79/35/29/653793529.db2.gz QIOAIDXKSJXGKH-LBPRGKRZSA-N 1 1 393.289 2.493 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C[C@@H]2C1 ZINC000821328643 653794753 /nfs/dbraw/zinc/79/47/53/653794753.db2.gz MQJPYSGZFKWNDL-BNOWGMLFSA-N 1 1 380.286 2.186 20 0 GEADMO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000866511551 653799832 /nfs/dbraw/zinc/79/98/32/653799832.db2.gz DHJAYYYRPTYMGL-UHFFFAOYSA-N 1 1 390.908 2.353 20 0 GEADMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882720576 653800129 /nfs/dbraw/zinc/80/01/29/653800129.db2.gz BJQXYRYYEHHFEI-NXEZZACHSA-N 1 1 395.223 2.241 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882720576 653800130 /nfs/dbraw/zinc/80/01/30/653800130.db2.gz BJQXYRYYEHHFEI-NXEZZACHSA-N 1 1 395.223 2.241 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cnc1Br ZINC000790973836 653802099 /nfs/dbraw/zinc/80/20/99/653802099.db2.gz HCUOTWOCWLSDAI-ZDUSSCGKSA-N 1 1 397.317 2.328 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866643324 653807702 /nfs/dbraw/zinc/80/77/02/653807702.db2.gz HAEILRLYRQFGEY-KRWDZBQOSA-N 1 1 387.571 2.241 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000866643485 653807788 /nfs/dbraw/zinc/80/77/88/653807788.db2.gz IKBKCNQDUAOMCU-JOCHJYFZSA-N 1 1 381.951 2.066 20 0 GEADMO Cn1nc(Br)nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000895053878 653814601 /nfs/dbraw/zinc/81/46/01/653814601.db2.gz YVQLYOCAVHSPIL-LSDHHAIUSA-N 1 1 376.302 2.284 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1C ZINC000895079259 653816382 /nfs/dbraw/zinc/81/63/82/653816382.db2.gz QFFAZYHHGXNMSK-OKILXGFUSA-N 1 1 388.965 2.174 20 0 GEADMO Cc1csc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1Cl ZINC000791597427 653819159 /nfs/dbraw/zinc/81/91/59/653819159.db2.gz HNZRMQCTOMQRAP-ZDUSSCGKSA-N 1 1 388.917 2.340 20 0 GEADMO Cc1ccc(Br)c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000882987174 653820976 /nfs/dbraw/zinc/82/09/76/653820976.db2.gz UZBYEXBFEBRPNV-HNNXBMFYSA-N 1 1 383.334 2.361 20 0 GEADMO Cc1ccc(Br)c(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000882987174 653820978 /nfs/dbraw/zinc/82/09/78/653820978.db2.gz UZBYEXBFEBRPNV-HNNXBMFYSA-N 1 1 383.334 2.361 20 0 GEADMO CSc1c(C(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)cnn1C ZINC000791816848 653825606 /nfs/dbraw/zinc/82/56/06/653825606.db2.gz JUFNRTLVCALTOQ-UHFFFAOYSA-N 1 1 380.539 2.178 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(I)n1 ZINC000822432352 653827855 /nfs/dbraw/zinc/82/78/55/653827855.db2.gz BQSLAJYNRGIWJG-RKDXNWHRSA-N 1 1 377.251 2.104 20 0 GEADMO Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cnc1Br ZINC000822492407 653829371 /nfs/dbraw/zinc/82/93/71/653829371.db2.gz ADIIGWDFDOXYBO-AWEZNQCLSA-N 1 1 383.290 2.215 20 0 GEADMO Cn1cc(CNC[C@H]2CC[N@@H+]2Cc2ccccc2)c(I)n1 ZINC000895348846 653829513 /nfs/dbraw/zinc/82/95/13/653829513.db2.gz AWLGNPBEAPDNGG-OAHLLOKOSA-N 1 1 396.276 2.389 20 0 GEADMO Cn1cc(CNC[C@H]2CC[N@H+]2Cc2ccccc2)c(I)n1 ZINC000895348846 653829515 /nfs/dbraw/zinc/82/95/15/653829515.db2.gz AWLGNPBEAPDNGG-OAHLLOKOSA-N 1 1 396.276 2.389 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883122791 653829613 /nfs/dbraw/zinc/82/96/13/653829613.db2.gz AAWPBPUHTGEQCI-VXGBXAGGSA-N 1 1 375.382 2.356 20 0 GEADMO CC(=O)N(C)c1ccc(C[NH2+]Cc2cn(C)nc2I)cc1 ZINC000895393217 653832194 /nfs/dbraw/zinc/83/21/94/653832194.db2.gz IKPHLTCLQJTVSU-UHFFFAOYSA-N 1 1 398.248 2.297 20 0 GEADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822601940 653833440 /nfs/dbraw/zinc/83/34/40/653833440.db2.gz CFVZUSXPCFGPHS-CYBMUJFWSA-N 1 1 392.352 2.301 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000883290849 653834270 /nfs/dbraw/zinc/83/42/70/653834270.db2.gz JQAQSZZEDXXEDI-UHFFFAOYSA-N 1 1 391.331 2.495 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883297319 653834564 /nfs/dbraw/zinc/83/45/64/653834564.db2.gz MCSKJVDMOXKUAN-CYBMUJFWSA-N 1 1 379.931 2.191 20 0 GEADMO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000883303195 653834881 /nfs/dbraw/zinc/83/48/81/653834881.db2.gz RDTHYLCPMFUBJQ-ZJUUUORDSA-N 1 1 384.267 2.274 20 0 GEADMO Cn1ncc(I)c1C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC000895476238 653837445 /nfs/dbraw/zinc/83/74/45/653837445.db2.gz GOXJEEOJAWMXAC-MGCOHNPYSA-N 1 1 391.253 2.235 20 0 GEADMO O=C(Cn1ccc(Br)cc1=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000866848893 653837582 /nfs/dbraw/zinc/83/75/82/653837582.db2.gz REIIXTMAZOIDEJ-BBRMVZONSA-N 1 1 394.313 2.086 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cn(C)nc2Br)CC1 ZINC000895482547 653837678 /nfs/dbraw/zinc/83/76/78/653837678.db2.gz JQKYEFIFSCPMMK-UHFFFAOYSA-N 1 1 377.286 2.449 20 0 GEADMO O=C(Nc1nncs1)c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nc1 ZINC000895567472 653840986 /nfs/dbraw/zinc/84/09/86/653840986.db2.gz PZGFKMVQYNVWGJ-STQMWFEESA-N 1 1 376.511 2.177 20 0 GEADMO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(C(F)(F)F)c1 ZINC000895571662 653841299 /nfs/dbraw/zinc/84/12/99/653841299.db2.gz KYIDPVPKJRKXNR-UONOGXRCSA-N 1 1 395.472 2.345 20 0 GEADMO Cn1nc(Br)c2c1ncnc2N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895571628 653841376 /nfs/dbraw/zinc/84/13/76/653841376.db2.gz KHDUBQHGYRFBCY-VHSXEESVSA-N 1 1 383.319 2.118 20 0 GEADMO COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)nc2F)cc1 ZINC000883475702 653842131 /nfs/dbraw/zinc/84/21/31/653842131.db2.gz HOTFBQGBTMNNHW-ZDUSSCGKSA-N 1 1 385.848 2.218 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895602592 653843106 /nfs/dbraw/zinc/84/31/06/653843106.db2.gz KKEBEKZPPKNTJF-DLBZAZTESA-N 1 1 396.329 2.498 20 0 GEADMO C[C@H](C[N@H+](C)Cc1nnc2c(=O)[nH]ccn12)c1cccc(Br)c1 ZINC000895623628 653843728 /nfs/dbraw/zinc/84/37/28/653843728.db2.gz QLPUJYUHIBOOSJ-LLVKDONJSA-N 1 1 376.258 2.416 20 0 GEADMO C[C@H](C[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12)c1cccc(Br)c1 ZINC000895623628 653843730 /nfs/dbraw/zinc/84/37/30/653843730.db2.gz QLPUJYUHIBOOSJ-LLVKDONJSA-N 1 1 376.258 2.416 20 0 GEADMO C[N@@H+](CCCNC(=O)c1c[nH]nc1I)C1CCCCC1 ZINC000895626524 653844056 /nfs/dbraw/zinc/84/40/56/653844056.db2.gz STMPKBHIOKGZCV-UHFFFAOYSA-N 1 1 390.269 2.399 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651857 653844572 /nfs/dbraw/zinc/84/45/72/653844572.db2.gz CTTSOGXDYSJZLY-CXAGYDPISA-N 1 1 384.270 2.266 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651857 653844575 /nfs/dbraw/zinc/84/45/75/653844575.db2.gz CTTSOGXDYSJZLY-CXAGYDPISA-N 1 1 384.270 2.266 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866891716 653844767 /nfs/dbraw/zinc/84/47/67/653844767.db2.gz ALNZWBWUACTWOA-JBEBIEQOSA-N 1 1 391.534 2.191 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866897660 653845729 /nfs/dbraw/zinc/84/57/29/653845729.db2.gz ZVALOQQWNVFILN-KRWDZBQOSA-N 1 1 387.571 2.193 20 0 GEADMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000895702158 653846507 /nfs/dbraw/zinc/84/65/07/653846507.db2.gz ISCNBOFDTHYZQP-KRWDZBQOSA-N 1 1 394.269 2.053 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)cc(Br)c1F ZINC000822931060 653846508 /nfs/dbraw/zinc/84/65/08/653846508.db2.gz JPGFYTQSYOSQOO-NXEZZACHSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)cc(Br)c1F ZINC000822931060 653846511 /nfs/dbraw/zinc/84/65/11/653846511.db2.gz JPGFYTQSYOSQOO-NXEZZACHSA-N 1 1 377.229 2.254 20 0 GEADMO CCO/C=C\[C@](O)(C[NH2+]Cc1c(Br)c(C)nn1C)C(F)(F)F ZINC000895714168 653847331 /nfs/dbraw/zinc/84/73/31/653847331.db2.gz RFQGFNWNQCGCRW-FJOGCWAESA-N 1 1 386.212 2.424 20 0 GEADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792908366 653855532 /nfs/dbraw/zinc/85/55/32/653855532.db2.gz VARSSMDRRSXGBJ-CJNGLKHVSA-N 1 1 392.327 2.239 20 0 GEADMO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792908366 653855535 /nfs/dbraw/zinc/85/55/35/653855535.db2.gz VARSSMDRRSXGBJ-CJNGLKHVSA-N 1 1 392.327 2.239 20 0 GEADMO O=C(NCCc1cc(Cl)cc(Br)c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000883934112 653856058 /nfs/dbraw/zinc/85/60/58/653856058.db2.gz BKNFDUQNHIAWTC-AWEZNQCLSA-N 1 1 390.709 2.011 20 0 GEADMO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1nc[nH]c1Br ZINC000866963503 653856469 /nfs/dbraw/zinc/85/64/69/653856469.db2.gz IUHAGRVHKPVFRC-CYBMUJFWSA-N 1 1 399.314 2.067 20 0 GEADMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1nc[nH]c1Br ZINC000866963503 653856471 /nfs/dbraw/zinc/85/64/71/653856471.db2.gz IUHAGRVHKPVFRC-CYBMUJFWSA-N 1 1 399.314 2.067 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)nc1Br ZINC000792953501 653857063 /nfs/dbraw/zinc/85/70/63/653857063.db2.gz PWSBGDRSHHIZJT-LBPRGKRZSA-N 1 1 383.290 2.082 20 0 GEADMO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000845666919 653857735 /nfs/dbraw/zinc/85/77/35/653857735.db2.gz BFRQKRSUODPVJJ-NSHDSACASA-N 1 1 390.299 2.494 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)nc1Br ZINC000792971173 653858499 /nfs/dbraw/zinc/85/84/99/653858499.db2.gz ZONDNKFOTPYORP-UHFFFAOYSA-N 1 1 397.317 2.424 20 0 GEADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@@H]1CC1(Cl)Cl ZINC000823226061 653858828 /nfs/dbraw/zinc/85/88/28/653858828.db2.gz YRJAWMZQFFYWDL-SNVBAGLBSA-N 1 1 385.288 2.368 20 0 GEADMO COCC(COC)[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000823233575 653859214 /nfs/dbraw/zinc/85/92/14/653859214.db2.gz BVVODXHNYRKXNY-QGZVFWFLSA-N 1 1 377.312 2.306 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792986838 653859409 /nfs/dbraw/zinc/85/94/09/653859409.db2.gz ORIYHCBWLOHRAO-LBPRGKRZSA-N 1 1 383.290 2.082 20 0 GEADMO CC1(C)[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CS1(=O)=O ZINC000895977540 653859428 /nfs/dbraw/zinc/85/94/28/653859428.db2.gz HLUVZOHZJGSWIE-ZDUSSCGKSA-N 1 1 390.299 2.276 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)nc1Br ZINC000793006921 653861473 /nfs/dbraw/zinc/86/14/73/653861473.db2.gz OQJZJWKXKLLPEV-ZDUSSCGKSA-N 1 1 397.317 2.424 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)[C@@H](C)C1 ZINC000793047261 653864117 /nfs/dbraw/zinc/86/41/17/653864117.db2.gz UHEKXLBGUSIPNW-QWHCGFSZSA-N 1 1 397.317 2.280 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc1Br ZINC000793046174 653864147 /nfs/dbraw/zinc/86/41/47/653864147.db2.gz IAXKQUKBKDPZGQ-CHWSQXEVSA-N 1 1 395.301 2.034 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)[C@H](C)C1 ZINC000793047260 653864165 /nfs/dbraw/zinc/86/41/65/653864165.db2.gz UHEKXLBGUSIPNW-OLZOCXBDSA-N 1 1 397.317 2.280 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793059045 653864761 /nfs/dbraw/zinc/86/47/61/653864761.db2.gz OKUUUJDUXCRYRG-OLZOCXBDSA-N 1 1 395.301 2.176 20 0 GEADMO C[NH2+][C@@H](CC(C)C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000884121170 653864985 /nfs/dbraw/zinc/86/49/85/653864985.db2.gz IQRQZHDCHJEFTN-ZDUSSCGKSA-N 1 1 380.290 2.485 20 0 GEADMO C[NH2+][C@@H](CC(C)C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000884121170 653864987 /nfs/dbraw/zinc/86/49/87/653864987.db2.gz IQRQZHDCHJEFTN-ZDUSSCGKSA-N 1 1 380.290 2.485 20 0 GEADMO [NH3+]Cc1ocnc1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884197855 653867820 /nfs/dbraw/zinc/86/78/20/653867820.db2.gz GSGLCVFUOGKPLX-NSHDSACASA-N 1 1 379.258 2.152 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491976 653870159 /nfs/dbraw/zinc/87/01/59/653870159.db2.gz FAMGAXDABDEIDM-LSDHHAIUSA-N 1 1 397.269 2.090 20 0 GEADMO CC[N@@H+](CCC1CCN(S(=O)(=O)N=[S@](C)(=O)CC)CC1)CC1CC1 ZINC000867049882 653871052 /nfs/dbraw/zinc/87/10/52/653871052.db2.gz ORAJUDQEVUNDDQ-HSZRJFAPSA-N 1 1 379.592 2.183 20 0 GEADMO CCS(=O)(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884325512 653872278 /nfs/dbraw/zinc/87/22/78/653872278.db2.gz SCVOEWYEYYMHRA-CQSZACIVSA-N 1 1 378.416 2.131 20 0 GEADMO O=C(NCCC1SCCS1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000823623300 653874316 /nfs/dbraw/zinc/87/43/16/653874316.db2.gz ROBCPXHVABNCHG-GOSISDBHSA-N 1 1 381.567 2.119 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867067394 653874607 /nfs/dbraw/zinc/87/46/07/653874607.db2.gz JUJMICPTHPIEKE-RDJZCZTQSA-N 1 1 387.571 2.239 20 0 GEADMO N[C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(Br)cc1 ZINC000884382629 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O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921722947 654311671 /nfs/dbraw/zinc/31/16/71/654311671.db2.gz PSEGVVLXSYKODN-ZFWWWQNUSA-N 1 1 380.583 2.443 20 0 GEADMO CCN(CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000891857210 654315357 /nfs/dbraw/zinc/31/53/57/654315357.db2.gz RWHNKHHDBMCJOW-GHMZBOCLSA-N 1 1 378.361 2.039 20 0 GEADMO O=C1N[C@H](c2ccccc2Br)C(=O)N1CC[NH+]1CCSCC1 ZINC000853723024 654318077 /nfs/dbraw/zinc/31/80/77/654318077.db2.gz NGIWHTPRKDNAGD-CYBMUJFWSA-N 1 1 384.299 2.091 20 0 GEADMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)C1 ZINC000891923614 654318754 /nfs/dbraw/zinc/31/87/54/654318754.db2.gz PONGZIGQNPEXJB-CBZIJGRNSA-N 1 1 386.378 2.472 20 0 GEADMO OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921764590 654319391 /nfs/dbraw/zinc/31/93/91/654319391.db2.gz LZCRCLVWWCZPMX-GJZGRUSLSA-N 1 1 379.302 2.145 20 0 GEADMO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000921764590 654319399 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20 0 GEADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000892225371 654334967 /nfs/dbraw/zinc/33/49/67/654334967.db2.gz CDYKTUWIJNRJNM-XHDPSFHLSA-N 1 1 381.274 2.229 20 0 GEADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000892225371 654334971 /nfs/dbraw/zinc/33/49/71/654334971.db2.gz CDYKTUWIJNRJNM-XHDPSFHLSA-N 1 1 381.274 2.229 20 0 GEADMO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834597386 654337069 /nfs/dbraw/zinc/33/70/69/654337069.db2.gz GOAWZBQAICQZFV-NEPJUHHUSA-N 1 1 385.281 2.240 20 0 GEADMO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834597393 654337146 /nfs/dbraw/zinc/33/71/46/654337146.db2.gz GOAWZBQAICQZFV-RYUDHWBXSA-N 1 1 385.281 2.240 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000921908806 654340190 /nfs/dbraw/zinc/34/01/90/654340190.db2.gz NTMOUORKLFOBGC-CQSZACIVSA-N 1 1 378.416 2.237 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000921912232 654340852 /nfs/dbraw/zinc/34/08/52/654340852.db2.gz WKQRXRXHGSYZDJ-BLZCZZARSA-N 1 1 384.464 2.280 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921910183 654340866 /nfs/dbraw/zinc/34/08/66/654340866.db2.gz HJKUNXSHECTTLZ-CQSZACIVSA-N 1 1 376.881 2.152 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cscc1Br ZINC000921912545 654341410 /nfs/dbraw/zinc/34/14/10/654341410.db2.gz SJOQRWHHGNXEKC-LLVKDONJSA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cscc1Br ZINC000921912545 654341411 /nfs/dbraw/zinc/34/14/11/654341411.db2.gz SJOQRWHHGNXEKC-LLVKDONJSA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cscc1Br ZINC000921912546 654341468 /nfs/dbraw/zinc/34/14/68/654341468.db2.gz SJOQRWHHGNXEKC-NSHDSACASA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cscc1Br ZINC000921912546 654341470 /nfs/dbraw/zinc/34/14/70/654341470.db2.gz SJOQRWHHGNXEKC-NSHDSACASA-N 1 1 395.344 2.042 20 0 GEADMO CCn1c(C[NH2+][C@H](C(=O)NC)C(C)C)nc(Br)c1Br ZINC000921915921 654341961 /nfs/dbraw/zinc/34/19/61/654341961.db2.gz NYTRTYNOHCZRPB-VIFPVBQESA-N 1 1 396.127 2.288 20 0 GEADMO O[C@@H](C[NH2+]Cc1c(Br)cncc1Br)C1(O)CCCC1 ZINC000905273374 654346785 /nfs/dbraw/zinc/34/67/85/654346785.db2.gz MGJOLBUECHNODD-LBPRGKRZSA-N 1 1 394.107 2.362 20 0 GEADMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872476586 654349755 /nfs/dbraw/zinc/34/97/55/654349755.db2.gz ZFPUXMJXQDLXQT-LBPRGKRZSA-N 1 1 385.917 2.377 20 0 GEADMO CCn1c(C[NH2+][C@@H](C)C[S@](C)=O)nc(Br)c1Br ZINC000921990961 654352366 /nfs/dbraw/zinc/35/23/66/654352366.db2.gz SENRBXHIKATGST-SKLCBMLGSA-N 1 1 387.141 2.285 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000835027643 654357199 /nfs/dbraw/zinc/35/71/99/654357199.db2.gz CDNGMTAMPHYJIU-NSHDSACASA-N 1 1 395.257 2.103 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872498070 654357229 /nfs/dbraw/zinc/35/72/29/654357229.db2.gz QPRVRAOMQJQBGU-CYBMUJFWSA-N 1 1 385.917 2.330 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000835034024 654358307 /nfs/dbraw/zinc/35/83/07/654358307.db2.gz ZJRNSNIVWXOPPJ-ZDUSSCGKSA-N 1 1 397.317 2.472 20 0 GEADMO CSc1nccnc1C(=O)OCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000892754913 654362590 /nfs/dbraw/zinc/36/25/90/654362590.db2.gz YRFOIFNNACLKOQ-UHFFFAOYSA-N 1 1 378.523 2.235 20 0 GEADMO Cc1cc(N2CCC[C@@H](OC(=O)c3cc(Br)n(C)n3)C2)nc(C)[nH+]1 ZINC000835149143 654365427 /nfs/dbraw/zinc/36/54/27/654365427.db2.gz QDYKPSBVZBFPCQ-GFCCVEGCSA-N 1 1 394.273 2.415 20 0 GEADMO C[C@H](NC(=S)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccs1 ZINC000905556725 654365976 /nfs/dbraw/zinc/36/59/76/654365976.db2.gz WHPPQQUHYCHFMK-HOTGVXAUSA-N 1 1 382.599 2.070 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000835151954 654366145 /nfs/dbraw/zinc/36/61/45/654366145.db2.gz VMMLBIQNSIWMJH-NSHDSACASA-N 1 1 386.265 2.436 20 0 GEADMO Cc1nc(SC(F)F)sc1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589284 654368907 /nfs/dbraw/zinc/36/89/07/654368907.db2.gz IIEQPQDOOPAGLE-UHFFFAOYSA-N 1 1 377.482 2.099 20 0 GEADMO Cn1nc(Br)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000854588633 654368975 /nfs/dbraw/zinc/36/89/75/654368975.db2.gz HKWHFJJQVXACRO-UHFFFAOYSA-N 1 1 392.301 2.182 20 0 GEADMO Cc1cc(C)c(C(=O)NCC[N@H+](C)CCOCCO)c(C)c1Br ZINC000922130041 654370740 /nfs/dbraw/zinc/37/07/40/654370740.db2.gz YWVOFNLMWNGKLR-UHFFFAOYSA-N 1 1 387.318 2.045 20 0 GEADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1ncc(Br)cn1 ZINC000905668002 654373297 /nfs/dbraw/zinc/37/32/97/654373297.db2.gz KHZQQBSKLIVVSW-BLLLJJGKSA-N 1 1 386.290 2.203 20 0 GEADMO Cc1nn(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1Cl ZINC000922236963 654377843 /nfs/dbraw/zinc/37/78/43/654377843.db2.gz GEHGWMQEUIOWRP-UHFFFAOYSA-N 1 1 386.681 2.059 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000835305766 654379029 /nfs/dbraw/zinc/37/90/29/654379029.db2.gz CUNOPLGBVGNCDT-UHFFFAOYSA-N 1 1 397.317 2.329 20 0 GEADMO O=C(NCCc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893079389 654380784 /nfs/dbraw/zinc/38/07/84/654380784.db2.gz XARDIEJCJSBREU-IAGOWNOFSA-N 1 1 396.329 2.232 20 0 GEADMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000922291244 654381641 /nfs/dbraw/zinc/38/16/41/654381641.db2.gz WFDBGQGVMVXLMH-DOMZBBRYSA-N 1 1 397.317 2.458 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872662108 654386846 /nfs/dbraw/zinc/38/68/46/654386846.db2.gz BQWXHKDKBGRFPV-KBPBESRZSA-N 1 1 389.315 2.315 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1Cl ZINC000872662451 654386877 /nfs/dbraw/zinc/38/68/77/654386877.db2.gz IMRJVMVVUUSYKP-QWRGUYRKSA-N 1 1 392.930 2.354 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)c1Cl ZINC000872662451 654386880 /nfs/dbraw/zinc/38/68/80/654386880.db2.gz IMRJVMVVUUSYKP-QWRGUYRKSA-N 1 1 392.930 2.354 20 0 GEADMO CC[C@@](O)(C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C(F)(F)F ZINC000905900347 654388693 /nfs/dbraw/zinc/38/86/93/654388693.db2.gz WJFKYDZDJRMMSA-CYBMUJFWSA-N 1 1 386.461 2.194 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2cccc(SC(F)(F)F)c2)CC[N@H+](C)C1 ZINC000854932670 654389305 /nfs/dbraw/zinc/38/93/05/654389305.db2.gz PAFACRMDOGABNI-GFCCVEGCSA-N 1 1 376.400 2.475 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2cccc(SC(F)(F)F)c2)CC[N@@H+](C)C1 ZINC000854932670 654389307 /nfs/dbraw/zinc/38/93/07/654389307.db2.gz PAFACRMDOGABNI-GFCCVEGCSA-N 1 1 376.400 2.475 20 0 GEADMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(S(C)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922396168 654389894 /nfs/dbraw/zinc/38/98/94/654389894.db2.gz VQTYTQMIRXQLNB-JOCBIADPSA-N 1 1 386.583 2.111 20 0 GEADMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(S(C)(=O)=O)s3)C2)[C@H]1C(C)C ZINC000922396168 654389902 /nfs/dbraw/zinc/38/99/02/654389902.db2.gz VQTYTQMIRXQLNB-JOCBIADPSA-N 1 1 386.583 2.111 20 0 GEADMO O=C(NCCc1cccs1)C1CC[NH+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905920854 654390993 /nfs/dbraw/zinc/39/09/93/654390993.db2.gz INGPYBKYLGWGGG-DEOSSOPVSA-N 1 1 382.473 2.387 20 0 GEADMO C[N@H+]1CC[C@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000872723398 654393443 /nfs/dbraw/zinc/39/34/43/654393443.db2.gz LBJADWZDCCFMPG-JSGCOSHPSA-N 1 1 377.286 2.143 20 0 GEADMO Cc1cc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc(C)c1OC(F)F ZINC000922493214 654397291 /nfs/dbraw/zinc/39/72/91/654397291.db2.gz CSNYJDUCCMSUNJ-UHFFFAOYSA-N 1 1 384.470 2.052 20 0 GEADMO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccc(Br)o1 ZINC000922497679 654398098 /nfs/dbraw/zinc/39/80/98/654398098.db2.gz WRBMMROPDREDRX-UHFFFAOYSA-N 1 1 382.136 2.157 20 0 GEADMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Br)nc1N ZINC000922499555 654398376 /nfs/dbraw/zinc/39/83/76/654398376.db2.gz AOHCTZPYEWIEAQ-AWEZNQCLSA-N 1 1 386.290 2.263 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000872903197 654404349 /nfs/dbraw/zinc/40/43/49/654404349.db2.gz LMSMAXDNVUSGNY-NSHDSACASA-N 1 1 380.798 2.274 20 0 GEADMO C[C@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1C[N@H+](C)CCO1 ZINC000872946478 654406336 /nfs/dbraw/zinc/40/63/36/654406336.db2.gz ORWBHQIGCGBSJU-JOYOIKCWSA-N 1 1 380.798 2.272 20 0 GEADMO C[C@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000872946478 654406339 /nfs/dbraw/zinc/40/63/39/654406339.db2.gz ORWBHQIGCGBSJU-JOYOIKCWSA-N 1 1 380.798 2.272 20 0 GEADMO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000855274529 654407643 /nfs/dbraw/zinc/40/76/43/654407643.db2.gz LQCWVDJRTNZYDD-ODCWNRFASA-N 1 1 376.444 2.326 20 0 GEADMO CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000855361974 654415016 /nfs/dbraw/zinc/41/50/16/654415016.db2.gz XNMLWJWKRIZOND-CQSZACIVSA-N 1 1 385.917 2.046 20 0 GEADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)n1 ZINC000855404874 654417090 /nfs/dbraw/zinc/41/70/90/654417090.db2.gz XTFULSJDYIEBTC-HNNXBMFYSA-N 1 1 390.281 2.341 20 0 GEADMO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2I)CS1(=O)=O ZINC000873137551 654418035 /nfs/dbraw/zinc/41/80/35/654418035.db2.gz YPTXTXSDIWUISO-MWLCHTKSSA-N 1 1 397.253 2.486 20 0 GEADMO CCOC(=O)C1([C@@H](C)NCc2ncc(Br)s2)CC[NH2+]CC1 ZINC000873274099 654423492 /nfs/dbraw/zinc/42/34/92/654423492.db2.gz AAVILOUYFBAILH-SNVBAGLBSA-N 1 1 376.320 2.317 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906432834 654436700 /nfs/dbraw/zinc/43/67/00/654436700.db2.gz BOHCZRPIRJOCPL-VIFPVBQESA-N 1 1 379.267 2.208 20 0 GEADMO CCn1c2ccc(Br)cc2nc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000893999648 654437355 /nfs/dbraw/zinc/43/73/55/654437355.db2.gz IXMZMFQLBBKVMV-GFCCVEGCSA-N 1 1 386.315 2.486 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)C[C@H]1C ZINC000894044395 654442274 /nfs/dbraw/zinc/44/22/74/654442274.db2.gz KAKSXNOKQYZPCJ-YPMHNXCESA-N 1 1 376.286 2.329 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2I)C1 ZINC000894062867 654443400 /nfs/dbraw/zinc/44/34/00/654443400.db2.gz FKGWTFZPNZRUSY-LBPRGKRZSA-N 1 1 376.286 2.188 20 0 GEADMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000923346508 654445939 /nfs/dbraw/zinc/44/59/39/654445939.db2.gz ZNYKOCQMPIYBBO-XFJVYGCCSA-N 1 1 375.282 2.387 20 0 GEADMO CC[C@@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000923346508 654445942 /nfs/dbraw/zinc/44/59/42/654445942.db2.gz ZNYKOCQMPIYBBO-XFJVYGCCSA-N 1 1 375.282 2.387 20 0 GEADMO CCc1c[nH]c2nc[nH+]c(NCc3nn(C)cc3I)c12 ZINC000894099989 654447020 /nfs/dbraw/zinc/44/70/20/654447020.db2.gz TWUTUXUFQPDUGU-UHFFFAOYSA-N 1 1 382.209 2.471 20 0 GEADMO CC1(C)C[NH2+]CC[C@H]1NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923369892 654447592 /nfs/dbraw/zinc/44/75/92/654447592.db2.gz NGGNEEOGWNFRNS-DZGCQCFKSA-N 1 1 375.282 2.306 20 0 GEADMO O=C(OCCC[NH+]1CCOCC1)C(F)(F)c1ncccc1Br ZINC000923397019 654449370 /nfs/dbraw/zinc/44/93/70/654449370.db2.gz ARQHEFAALJFLCO-UHFFFAOYSA-N 1 1 379.201 2.201 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000906571151 654449443 /nfs/dbraw/zinc/44/94/43/654449443.db2.gz BVOFTYMOMOWEGA-LLVKDONJSA-N 1 1 392.244 2.163 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000873693067 654449729 /nfs/dbraw/zinc/44/97/29/654449729.db2.gz JKGWMKMVTJGIJC-LBPRGKRZSA-N 1 1 398.301 2.243 20 0 GEADMO C[C@@H](CNCc1cn(C)nc1I)[N@H+]1CCCC[C@@H]1C ZINC000894175786 654453321 /nfs/dbraw/zinc/45/33/21/654453321.db2.gz LVGPQEMPGMTXJO-RYUDHWBXSA-N 1 1 376.286 2.377 20 0 GEADMO C[C@H](CNCc1cn(C)nc1I)[N@H+]1CCCC[C@H]1C ZINC000894175788 654453352 /nfs/dbraw/zinc/45/33/52/654453352.db2.gz LVGPQEMPGMTXJO-VXGBXAGGSA-N 1 1 376.286 2.377 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000873717491 654453873 /nfs/dbraw/zinc/45/38/73/654453873.db2.gz JGWNQWGGNNSMKE-UHFFFAOYSA-N 1 1 384.274 2.047 20 0 GEADMO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906622889 654454277 /nfs/dbraw/zinc/45/42/77/654454277.db2.gz XEIABKQKEQAOTL-CYBMUJFWSA-N 1 1 392.301 2.410 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)nc12 ZINC000894195685 654454815 /nfs/dbraw/zinc/45/48/15/654454815.db2.gz SVWNFXXYIRGZCT-WFASDCNBSA-N 1 1 392.301 2.251 20 0 GEADMO CCc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1Br ZINC000906633164 654455277 /nfs/dbraw/zinc/45/52/77/654455277.db2.gz HCJMMNQJPLKBAR-UHFFFAOYSA-N 1 1 396.329 2.294 20 0 GEADMO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000873726353 654455398 /nfs/dbraw/zinc/45/53/98/654455398.db2.gz KORKRSRLBDJLNP-GFCCVEGCSA-N 1 1 380.286 2.303 20 0 GEADMO Cn1nc(Br)nc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000894211590 654456457 /nfs/dbraw/zinc/45/64/57/654456457.db2.gz RSSCFTXVJIWQNW-SNVBAGLBSA-N 1 1 395.179 2.299 20 0 GEADMO CN(C(=O)c1cnnn1-c1ccccc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000906657182 654457424 /nfs/dbraw/zinc/45/74/24/654457424.db2.gz UCQWVZZOAQKPRV-CYBMUJFWSA-N 1 1 390.285 2.339 20 0 GEADMO CO[C@@H](C(=O)OCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000923520302 654459270 /nfs/dbraw/zinc/45/92/70/654459270.db2.gz RKYIUJZYTDMMBJ-CYBMUJFWSA-N 1 1 378.288 2.464 20 0 GEADMO C[C@H]([NH2+]Cc1cn(C)nc1I)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000894256560 654459871 /nfs/dbraw/zinc/45/98/71/654459871.db2.gz SNYOATHMMWEOFL-QMMMGPOBSA-N 1 1 397.220 2.457 20 0 GEADMO O=C(c1cnnn1-c1ccccc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000906690228 654460603 /nfs/dbraw/zinc/46/06/03/654460603.db2.gz WHRPHGBCWOXBEP-UHFFFAOYSA-N 1 1 390.285 2.340 20 0 GEADMO Cn1cc(C[NH2+][C@@H](CCO)c2cccs2)c(I)n1 ZINC000894284585 654462271 /nfs/dbraw/zinc/46/22/71/654462271.db2.gz RFHVFWBOSPIOCK-JTQLQIEISA-N 1 1 377.251 2.300 20 0 GEADMO C[NH+](C)[C@@]1(CNCc2sc(N3CCOCC3)nc2Cl)CCSC1 ZINC000894324589 654465070 /nfs/dbraw/zinc/46/50/70/654465070.db2.gz JDZFNSBLTINUOP-OAHLLOKOSA-N 1 1 376.979 2.160 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)c2cnnn2-c2ccccc2Br)CC[N@H+]1C ZINC000906798537 654473291 /nfs/dbraw/zinc/47/32/91/654473291.db2.gz PXPZYQAZYFKTLT-NEPJUHHUSA-N 1 1 378.274 2.242 20 0 GEADMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329008 654476760 /nfs/dbraw/zinc/47/67/60/654476760.db2.gz XAQORLAUAVGERS-ROUUACIJSA-N 1 1 379.595 2.158 20 0 GEADMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329008 654476765 /nfs/dbraw/zinc/47/67/65/654476765.db2.gz XAQORLAUAVGERS-ROUUACIJSA-N 1 1 379.595 2.158 20 0 GEADMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329007 654477015 /nfs/dbraw/zinc/47/70/15/654477015.db2.gz XAQORLAUAVGERS-QZTJIDSGSA-N 1 1 379.595 2.158 20 0 GEADMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329007 654477021 /nfs/dbraw/zinc/47/70/21/654477021.db2.gz XAQORLAUAVGERS-QZTJIDSGSA-N 1 1 379.595 2.158 20 0 GEADMO O=C(NCc1cnc(Cl)s1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000923697185 654478362 /nfs/dbraw/zinc/47/83/62/654478362.db2.gz JRSRMVZCVALZJZ-AWEZNQCLSA-N 1 1 380.901 2.015 20 0 GEADMO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2occc2Br)C1 ZINC000923740991 654482215 /nfs/dbraw/zinc/48/22/15/654482215.db2.gz QBAVTXRNKZYDKT-JNSHFYNHSA-N 1 1 385.283 2.380 20 0 GEADMO 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Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164737281 720668942 /nfs/dbraw/zinc/66/89/42/720668942.db2.gz FABXLMYNQNRLLN-STQMWFEESA-N 1 1 396.829 2.115 20 0 GEADMO Clc1ncnc2scc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164744338 720672025 /nfs/dbraw/zinc/67/20/25/720672025.db2.gz ZKNLKEXCIVJZIO-NEPJUHHUSA-N 1 1 388.884 2.477 20 0 GEADMO Clc1cnc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc2c1 ZINC001164738220 720683809 /nfs/dbraw/zinc/68/38/09/720683809.db2.gz ISTASDVGCMVTGA-JKSUJKDBSA-N 1 1 382.855 2.415 20 0 GEADMO Clc1nnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c2c1CCCC2 ZINC001164743922 720683990 /nfs/dbraw/zinc/68/39/90/720683990.db2.gz YYSUKMYMGRWZEZ-UONOGXRCSA-N 1 1 386.887 2.141 20 0 GEADMO Clc1cnc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c1 ZINC001164738211 720684612 /nfs/dbraw/zinc/68/46/12/720684612.db2.gz ISTASDVGCMVTGA-CVEARBPZSA-N 1 1 382.855 2.415 20 0 GEADMO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(n1)CNC3)CC2 ZINC001164840530 720688849 /nfs/dbraw/zinc/68/88/49/720688849.db2.gz FWYDBAXWSSKJFX-LJQANCHMSA-N 1 1 379.508 2.340 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(n1)CNC3)CC2 ZINC001164840530 720688854 /nfs/dbraw/zinc/68/88/54/720688854.db2.gz FWYDBAXWSSKJFX-LJQANCHMSA-N 1 1 379.508 2.340 20 0 GEADMO Clc1ccc2c(cnnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164741968 720705396 /nfs/dbraw/zinc/70/53/96/720705396.db2.gz UVNVYLDTVMKBJM-HZPDHXFCSA-N 1 1 382.855 2.415 20 0 GEADMO Clc1cccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncc12 ZINC001164741058 720710095 /nfs/dbraw/zinc/71/00/95/720710095.db2.gz SIMHZTNGMCXVNL-KGLIPLIRSA-N 1 1 382.855 2.415 20 0 GEADMO CCCN(CCC)c1cncc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744826 720734048 /nfs/dbraw/zinc/73/40/48/720734048.db2.gz STVJXMWVOSMMJW-MSOLQXFVSA-N 1 1 397.527 2.235 20 0 GEADMO CC(C)n1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743463 720747736 /nfs/dbraw/zinc/74/77/36/720747736.db2.gz 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FC(F)(Oc1ccnc(Cl)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748777 720801473 /nfs/dbraw/zinc/80/14/73/720801473.db2.gz RKEBNJOXMQHESC-OCCSQVGLSA-N 1 1 397.813 2.292 20 0 GEADMO CSc1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164745446 720801795 /nfs/dbraw/zinc/80/17/95/720801795.db2.gz KKBGJRSWYWLNBY-HUUCEWRRSA-N 1 1 394.504 2.484 20 0 GEADMO Clc1nc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C1)CCCC2 ZINC001164752113 720804253 /nfs/dbraw/zinc/80/42/53/720804253.db2.gz YRWZTFVXLRHPME-KBPBESRZSA-N 1 1 386.887 2.141 20 0 GEADMO Clc1nc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C1)CCCC2 ZINC001164752113 720804255 /nfs/dbraw/zinc/80/42/55/720804255.db2.gz YRWZTFVXLRHPME-KBPBESRZSA-N 1 1 386.887 2.141 20 0 GEADMO Clc1nc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)CCCC2 ZINC001164752116 720804414 /nfs/dbraw/zinc/80/44/14/720804414.db2.gz YRWZTFVXLRHPME-KGLIPLIRSA-N 1 1 386.887 2.141 20 0 GEADMO Clc1nc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)CCCC2 ZINC001164752116 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ZINC000122288905 532064185 /nfs/dbraw/zinc/06/41/85/532064185.db2.gz IQHFWUIRLFYKOZ-IUODEOHRSA-N 1 1 380.286 2.330 20 0 GEADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000174692465 532074724 /nfs/dbraw/zinc/07/47/24/532074724.db2.gz HVYFSWVCBCFLLA-JKSUJKDBSA-N 1 1 394.313 2.264 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122545004 532074290 /nfs/dbraw/zinc/07/42/90/532074290.db2.gz BODKFOZNVCWKQE-UHFFFAOYSA-N 1 1 381.278 2.492 20 0 GEADMO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000122686714 532080041 /nfs/dbraw/zinc/08/00/41/532080041.db2.gz ZFAWCSPFOPIDGU-DOMZBBRYSA-N 1 1 378.897 2.086 20 0 GEADMO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[N@H+]1C[C@@H](C)O ZINC000122686714 532080048 /nfs/dbraw/zinc/08/00/48/532080048.db2.gz ZFAWCSPFOPIDGU-DOMZBBRYSA-N 1 1 378.897 2.086 20 0 GEADMO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000175055294 532088139 /nfs/dbraw/zinc/08/81/39/532088139.db2.gz SJFZZIKDXHCXMK-SJKOYZFVSA-N 1 1 390.311 2.437 20 0 GEADMO CNC(=O)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000175033352 532088199 /nfs/dbraw/zinc/08/81/99/532088199.db2.gz ISIKEALOJHSURC-ZDUSSCGKSA-N 1 1 396.329 2.474 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000175117074 532090258 /nfs/dbraw/zinc/09/02/58/532090258.db2.gz CFUMSRVNUXVZCY-UHFFFAOYSA-N 1 1 379.258 2.489 20 0 GEADMO CC(C)(C[NH3+])NS(=O)(=O)c1scc(Br)c1Br ZINC000123728970 532106771 /nfs/dbraw/zinc/10/67/71/532106771.db2.gz LZCVLJOHHQWIJZ-UHFFFAOYSA-N 1 1 392.138 2.289 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1c(F)cccc1Br ZINC000176074747 532124741 /nfs/dbraw/zinc/12/47/41/532124741.db2.gz PDGYGPGNVAYLNR-JTQLQIEISA-N 1 1 384.249 2.127 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000175957981 532120884 /nfs/dbraw/zinc/12/08/84/532120884.db2.gz SGUQVMIYKHEAHR-LBPRGKRZSA-N 1 1 398.301 2.244 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000176063188 532124568 /nfs/dbraw/zinc/12/45/68/532124568.db2.gz UHKHHCTWAVFTGE-GFCCVEGCSA-N 1 1 387.933 2.241 20 0 GEADMO COc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Br ZINC000124096176 532114149 /nfs/dbraw/zinc/11/41/49/532114149.db2.gz YVVOUOGIQYFUTJ-MNOVXSKESA-N 1 1 389.315 2.361 20 0 GEADMO C[C@H]1CN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CC[NH2+]1 ZINC000124194251 532115744 /nfs/dbraw/zinc/11/57/44/532115744.db2.gz QAXOUHROLVMLMF-NSHDSACASA-N 1 1 384.395 2.086 20 0 GEADMO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000124190966 532115961 /nfs/dbraw/zinc/11/59/61/532115961.db2.gz VEGMBXHUBTXWOF-QMMMGPOBSA-N 1 1 383.695 2.094 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176091642 532125529 /nfs/dbraw/zinc/12/55/29/532125529.db2.gz GXSFZAFJPQYGCN-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000176085759 532125644 /nfs/dbraw/zinc/12/56/44/532125644.db2.gz ZUUOYOXXYYTCLM-LLVKDONJSA-N 1 1 388.249 2.411 20 0 GEADMO O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CC[NH+](C2CC2)CC1 ZINC000124703992 532127328 /nfs/dbraw/zinc/12/73/28/532127328.db2.gz UJLYWBYIDZDOQY-UHFFFAOYSA-N 1 1 395.301 2.267 20 0 GEADMO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000126775340 532150332 /nfs/dbraw/zinc/15/03/32/532150332.db2.gz LLMRRFXAVSVUJD-UHFFFAOYSA-N 1 1 390.347 2.279 20 0 GEADMO COc1nc(N2CC[NH+](CCOCCC(C)C)CC2)ncc1Br ZINC000176923265 532155754 /nfs/dbraw/zinc/15/57/54/532155754.db2.gz HDQPDQDCFGLZHP-UHFFFAOYSA-N 1 1 387.322 2.432 20 0 GEADMO O=C(CCc1cc(Cl)ccc1Br)N1CC[NH+](CCO)CC1 ZINC000176577634 532141921 /nfs/dbraw/zinc/14/19/21/532141921.db2.gz MACITILWXBBYPL-UHFFFAOYSA-N 1 1 375.694 2.172 20 0 GEADMO C[C@H]([N@H+](C)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000177224468 532165540 /nfs/dbraw/zinc/16/55/40/532165540.db2.gz MKJIRXBYCQWCER-LSDHHAIUSA-N 1 1 384.567 2.384 20 0 GEADMO C[C@H]([N@@H+](C)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1(C)CC1 ZINC000177224468 532165544 /nfs/dbraw/zinc/16/55/44/532165544.db2.gz MKJIRXBYCQWCER-LSDHHAIUSA-N 1 1 384.567 2.384 20 0 GEADMO CCN1CC[NH+](CCC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000177270734 532167394 /nfs/dbraw/zinc/16/73/94/532167394.db2.gz NGOMKXJETIOBKM-HNNXBMFYSA-N 1 1 398.345 2.360 20 0 GEADMO COC[C@](C)(CCO)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000177408962 532170334 /nfs/dbraw/zinc/17/03/34/532170334.db2.gz YOIWMMPAUGFVII-ZDUSSCGKSA-N 1 1 376.276 2.438 20 0 GEADMO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177118468 532162875 /nfs/dbraw/zinc/16/28/75/532162875.db2.gz RTGVYZNVHVFKPP-UHFFFAOYSA-N 1 1 386.279 2.255 20 0 GEADMO Brc1cc2c(cc1C[N@@H+]1CC[C@H](CN3CCOCC3)C1)OCO2 ZINC000129435157 532178615 /nfs/dbraw/zinc/17/86/15/532178615.db2.gz QHYCYVXLAKYIKJ-CYBMUJFWSA-N 1 1 383.286 2.332 20 0 GEADMO Brc1cc2c(cc1C[N@H+]1CC[C@H](CN3CCOCC3)C1)OCO2 ZINC000129435157 532178619 /nfs/dbraw/zinc/17/86/19/532178619.db2.gz QHYCYVXLAKYIKJ-CYBMUJFWSA-N 1 1 383.286 2.332 20 0 GEADMO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000177461682 532172465 /nfs/dbraw/zinc/17/24/65/532172465.db2.gz NWRRJCJKRIFRRM-QGZVFWFLSA-N 1 1 383.286 2.293 20 0 GEADMO COc1ccc(Br)c(CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000129372336 532177332 /nfs/dbraw/zinc/17/73/32/532177332.db2.gz MXBOQIMQXJPYKC-UHFFFAOYSA-N 1 1 384.318 2.054 20 0 GEADMO COc1ccc(Br)c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000129372336 532177337 /nfs/dbraw/zinc/17/73/37/532177337.db2.gz MXBOQIMQXJPYKC-UHFFFAOYSA-N 1 1 384.318 2.054 20 0 GEADMO CCOC(=O)NCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178345658 532198736 /nfs/dbraw/zinc/19/87/36/532198736.db2.gz YAVMHJUPDLKRRP-UHFFFAOYSA-N 1 1 398.301 2.276 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Cl ZINC000178417540 532200578 /nfs/dbraw/zinc/20/05/78/532200578.db2.gz HABAZOYQJRGXNA-LSDHHAIUSA-N 1 1 389.949 2.023 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)CCCc2ccccc2Br)CC1 ZINC000130181573 532190465 /nfs/dbraw/zinc/19/04/65/532190465.db2.gz MSBVHCOKPYXKHT-UHFFFAOYSA-N 1 1 396.329 2.098 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000132212876 532211727 /nfs/dbraw/zinc/21/17/27/532211727.db2.gz SRWUOUYUELKKIN-GFCCVEGCSA-N 1 1 378.274 2.101 20 0 GEADMO COc1cc(Br)ccc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000132599698 532219097 /nfs/dbraw/zinc/21/90/97/532219097.db2.gz QOGUGUBIOURTCL-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178880986 532215808 /nfs/dbraw/zinc/21/58/08/532215808.db2.gz WMKLYIKZLHBLHW-LLVKDONJSA-N 1 1 386.677 2.348 20 0 GEADMO CC(C)c1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1Br ZINC000131612670 532201186 /nfs/dbraw/zinc/20/11/86/532201186.db2.gz JHSCKEDIKZCINI-GFCCVEGCSA-N 1 1 387.322 2.262 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1Cl ZINC000178417571 532201227 /nfs/dbraw/zinc/20/12/27/532201227.db2.gz HABAZOYQJRGXNA-CABCVRRESA-N 1 1 389.949 2.023 20 0 GEADMO CC(C)c1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1Br ZINC000131612864 532201483 /nfs/dbraw/zinc/20/14/83/532201483.db2.gz JHSCKEDIKZCINI-LBPRGKRZSA-N 1 1 387.322 2.262 20 0 GEADMO CCc1nc(CN2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cs1 ZINC000178518413 532204158 /nfs/dbraw/zinc/20/41/58/532204158.db2.gz QAGCYECIFHDTNO-MRXNPFEDSA-N 1 1 381.567 2.462 20 0 GEADMO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000133385278 532233853 /nfs/dbraw/zinc/23/38/53/532233853.db2.gz CRMXJBANFBWGIR-DZGCQCFKSA-N 1 1 383.945 2.481 20 0 GEADMO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000133385862 532233869 /nfs/dbraw/zinc/23/38/69/532233869.db2.gz CRMXJBANFBWGIR-HIFRSBDPSA-N 1 1 383.945 2.481 20 0 GEADMO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000133385678 532233924 /nfs/dbraw/zinc/23/39/24/532233924.db2.gz CRMXJBANFBWGIR-ZFWWWQNUSA-N 1 1 383.945 2.481 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000133407186 532234459 /nfs/dbraw/zinc/23/44/59/532234459.db2.gz HIHPBLOHWULOSI-INIZCTEOSA-N 1 1 396.329 2.021 20 0 GEADMO NC(=O)[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000179218129 532225539 /nfs/dbraw/zinc/22/55/39/532225539.db2.gz SIELDXQDXMRJRW-MRXNPFEDSA-N 1 1 393.237 2.373 20 0 GEADMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)[C@@H]1CO ZINC000133025172 532225797 /nfs/dbraw/zinc/22/57/97/532225797.db2.gz ADMJVLFEHARGLA-BXUZGUMPSA-N 1 1 388.249 2.323 20 0 GEADMO Cc1nc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000133624273 532239958 /nfs/dbraw/zinc/23/99/58/532239958.db2.gz IMVISEDJEHGQPP-ZDUSSCGKSA-N 1 1 383.290 2.339 20 0 GEADMO C[N@H+](CC(=O)NC(=O)NC1CCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000179741528 532242118 /nfs/dbraw/zinc/24/21/18/532242118.db2.gz VHRLNZUGOVLDEQ-HNNXBMFYSA-N 1 1 398.301 2.183 20 0 GEADMO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000179741528 532242121 /nfs/dbraw/zinc/24/21/21/532242121.db2.gz VHRLNZUGOVLDEQ-HNNXBMFYSA-N 1 1 398.301 2.183 20 0 GEADMO C[C@@H](NC(=O)NCCc1cc(Br)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000134019379 532247727 /nfs/dbraw/zinc/24/77/27/532247727.db2.gz PFVBDFQBJQINTK-IAQYHMDHSA-N 1 1 388.281 2.149 20 0 GEADMO C[C@@H](NC(=O)NCCc1cc(Br)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000134019379 532247734 /nfs/dbraw/zinc/24/77/34/532247734.db2.gz PFVBDFQBJQINTK-IAQYHMDHSA-N 1 1 388.281 2.149 20 0 GEADMO O=C(COc1cccc(Br)c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000134029631 532247916 /nfs/dbraw/zinc/24/79/16/532247916.db2.gz AQNCYPQOFDWMFN-HNNXBMFYSA-N 1 1 385.302 2.181 20 0 GEADMO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179939975 532251225 /nfs/dbraw/zinc/25/12/25/532251225.db2.gz HOJDRXYSIKDLBP-UHFFFAOYSA-N 1 1 391.331 2.265 20 0 GEADMO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000133492982 532236546 /nfs/dbraw/zinc/23/65/46/532236546.db2.gz UNHVZONWYPZEEP-JTQLQIEISA-N 1 1 382.349 2.224 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000133492982 532236550 /nfs/dbraw/zinc/23/65/50/532236550.db2.gz UNHVZONWYPZEEP-JTQLQIEISA-N 1 1 382.349 2.224 20 0 GEADMO Cc1nc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)sc1Br ZINC000180105318 532258085 /nfs/dbraw/zinc/25/80/85/532258085.db2.gz XIJYUPYJCZSXHB-UWVGGRQHSA-N 1 1 382.349 2.365 20 0 GEADMO COc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000134613172 532259217 /nfs/dbraw/zinc/25/92/17/532259217.db2.gz CJUYWLVQXRYZKE-NSHDSACASA-N 1 1 390.347 2.133 20 0 GEADMO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1nc2ccccc2n1C ZINC000180202063 532261195 /nfs/dbraw/zinc/26/11/95/532261195.db2.gz SSHNZBQWADQMHV-QWHCGFSZSA-N 1 1 379.507 2.120 20 0 GEADMO Cc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1Cl ZINC000180276607 532264656 /nfs/dbraw/zinc/26/46/56/532264656.db2.gz VNODMGVPWDVOGA-INIZCTEOSA-N 1 1 385.961 2.439 20 0 GEADMO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000180744705 532279616 /nfs/dbraw/zinc/27/96/16/532279616.db2.gz JTYHEVJMRRRDRX-DZGCQCFKSA-N 1 1 390.933 2.488 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180767500 532280851 /nfs/dbraw/zinc/28/08/51/532280851.db2.gz RZZJDFMFGDLLCC-JOYOIKCWSA-N 1 1 382.379 2.043 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C)c2Br)[C@@H](C)C1 ZINC000180845402 532283678 /nfs/dbraw/zinc/28/36/78/532283678.db2.gz ZRCHDJNUOOIFCB-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C)c2Br)[C@@H](C)C1 ZINC000180845402 532283680 /nfs/dbraw/zinc/28/36/80/532283680.db2.gz ZRCHDJNUOOIFCB-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000180878589 532284615 /nfs/dbraw/zinc/28/46/15/532284615.db2.gz UNEBTCGEFXYVRK-AWEZNQCLSA-N 1 1 397.313 2.478 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000180878589 532284619 /nfs/dbraw/zinc/28/46/19/532284619.db2.gz UNEBTCGEFXYVRK-AWEZNQCLSA-N 1 1 397.313 2.478 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000135381795 532272890 /nfs/dbraw/zinc/27/28/90/532272890.db2.gz HPLZXTIBWAPDJT-IAQYHMDHSA-N 1 1 399.285 2.022 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000135436759 532273428 /nfs/dbraw/zinc/27/34/28/532273428.db2.gz UIBWEOGWQWZGNP-NSHDSACASA-N 1 1 376.238 2.241 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC000135436759 532273430 /nfs/dbraw/zinc/27/34/30/532273430.db2.gz UIBWEOGWQWZGNP-NSHDSACASA-N 1 1 376.238 2.241 20 0 GEADMO CCOCC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000181028508 532289438 /nfs/dbraw/zinc/28/94/38/532289438.db2.gz HUCKXUTZWKCIMD-UHFFFAOYSA-N 1 1 375.300 2.005 20 0 GEADMO CCOCC[N@@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000181028508 532289441 /nfs/dbraw/zinc/28/94/41/532289441.db2.gz HUCKXUTZWKCIMD-UHFFFAOYSA-N 1 1 375.300 2.005 20 0 GEADMO C[C@H](Sc1nncn1C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000139981390 532293509 /nfs/dbraw/zinc/29/35/09/532293509.db2.gz AAHAHXINEOWOGB-UONOGXRCSA-N 1 1 379.555 2.386 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181343128 532295707 /nfs/dbraw/zinc/29/57/07/532295707.db2.gz ZJASOXHBAKNGBA-LRDDRELGSA-N 1 1 393.285 2.123 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000181359376 532296525 /nfs/dbraw/zinc/29/65/25/532296525.db2.gz WZJMUDSYZADXBQ-GFCCVEGCSA-N 1 1 384.322 2.158 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCc2cccc(Br)c2)cn1 ZINC000181367937 532296686 /nfs/dbraw/zinc/29/66/86/532296686.db2.gz GNKVEQMONVXEJL-MRXNPFEDSA-N 1 1 377.286 2.288 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181412242 532297717 /nfs/dbraw/zinc/29/77/17/532297717.db2.gz UOQCNHWRXPUYDN-IUODEOHRSA-N 1 1 385.295 2.492 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146618236 532298375 /nfs/dbraw/zinc/29/83/75/532298375.db2.gz WVSPEGUCYFWLGN-CYBMUJFWSA-N 1 1 389.315 2.317 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2cc(Br)ccc2F)cn1 ZINC000181447890 532299640 /nfs/dbraw/zinc/29/96/40/532299640.db2.gz CTCUGOHXVJRZNJ-HNNXBMFYSA-N 1 1 381.249 2.037 20 0 GEADMO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000181570309 532302637 /nfs/dbraw/zinc/30/26/37/532302637.db2.gz JBZFOELZPYMPCE-JSGCOSHPSA-N 1 1 382.302 2.227 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000150898910 532303699 /nfs/dbraw/zinc/30/36/99/532303699.db2.gz FBGSKDRVXITWIO-UHFFFAOYSA-N 1 1 397.269 2.172 20 0 GEADMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181679239 532305452 /nfs/dbraw/zinc/30/54/52/532305452.db2.gz BFORSIYTOXIBLH-CQSZACIVSA-N 1 1 375.332 2.395 20 0 GEADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181679239 532305453 /nfs/dbraw/zinc/30/54/53/532305453.db2.gz BFORSIYTOXIBLH-CQSZACIVSA-N 1 1 375.332 2.395 20 0 GEADMO COc1cc(Br)ccc1CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000181769000 532306145 /nfs/dbraw/zinc/30/61/45/532306145.db2.gz HXXOMJHUKQJFKH-AWEZNQCLSA-N 1 1 398.345 2.142 20 0 GEADMO COc1cc(Br)ccc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182205846 532310113 /nfs/dbraw/zinc/31/01/13/532310113.db2.gz XAATZKKYUQGVQN-INIZCTEOSA-N 1 1 396.329 2.196 20 0 GEADMO CCC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182240782 532310452 /nfs/dbraw/zinc/31/04/52/532310452.db2.gz DCMCGNHWDINJGP-CABCVRRESA-N 1 1 375.918 2.287 20 0 GEADMO CCC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182240782 532310453 /nfs/dbraw/zinc/31/04/53/532310453.db2.gz DCMCGNHWDINJGP-CABCVRRESA-N 1 1 375.918 2.287 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1cc(F)ccc1Br ZINC000182408347 532312984 /nfs/dbraw/zinc/31/29/84/532312984.db2.gz YHSGFRCJYLKDKE-ZDUSSCGKSA-N 1 1 386.309 2.273 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cnc1Br ZINC000182681589 532316609 /nfs/dbraw/zinc/31/66/09/532316609.db2.gz IGDVZZNBYWAVGO-LBPRGKRZSA-N 1 1 383.290 2.082 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182768107 532317616 /nfs/dbraw/zinc/31/76/16/532317616.db2.gz LKUOKHQTMANKKJ-ZDUSSCGKSA-N 1 1 383.290 2.082 20 0 GEADMO C[N@@H+]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C2(CCCCC2)C1 ZINC000185065489 532336766 /nfs/dbraw/zinc/33/67/66/532336766.db2.gz ZSRQMXRJHFPLNZ-UHFFFAOYSA-N 1 1 380.436 2.084 20 0 GEADMO C[N@H+]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C2(CCCCC2)C1 ZINC000185065489 532336767 /nfs/dbraw/zinc/33/67/67/532336767.db2.gz ZSRQMXRJHFPLNZ-UHFFFAOYSA-N 1 1 380.436 2.084 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000185231665 532337328 /nfs/dbraw/zinc/33/73/28/532337328.db2.gz ABKWFZSLOLEYCC-UHFFFAOYSA-N 1 1 382.711 2.212 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000185228965 532337347 /nfs/dbraw/zinc/33/73/47/532337347.db2.gz AZMPTZXBIFKJDE-UHFFFAOYSA-N 1 1 383.258 2.442 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc(Br)c1 ZINC000185634381 532338126 /nfs/dbraw/zinc/33/81/26/532338126.db2.gz CRLXOVQMNPYBDO-CQSZACIVSA-N 1 1 383.334 2.274 20 0 GEADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185641257 532338334 /nfs/dbraw/zinc/33/83/34/532338334.db2.gz BJUAFJQQVSWUIP-AWEZNQCLSA-N 1 1 387.249 2.404 20 0 GEADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000185926721 532338955 /nfs/dbraw/zinc/33/89/55/532338955.db2.gz REUPAVXALYUMEN-CQSZACIVSA-N 1 1 394.313 2.300 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(I)c1 ZINC000186204381 532340136 /nfs/dbraw/zinc/34/01/36/532340136.db2.gz MOUQCCYGNPFSCO-GFCCVEGCSA-N 1 1 394.278 2.054 20 0 GEADMO O=C(CCc1ccc(Cl)cc1Cl)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186715428 532341749 /nfs/dbraw/zinc/34/17/49/532341749.db2.gz XUCGVTAYUFLCBG-HNNXBMFYSA-N 1 1 384.307 2.349 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000186810421 532341992 /nfs/dbraw/zinc/34/19/92/532341992.db2.gz LYVFZUIWAZHEAQ-INIZCTEOSA-N 1 1 394.313 2.355 20 0 GEADMO COc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)sc1Br ZINC000186886278 532342435 /nfs/dbraw/zinc/34/24/35/532342435.db2.gz AHMMNHWJGRFFOC-JTQLQIEISA-N 1 1 391.331 2.436 20 0 GEADMO COc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)sc1Br ZINC000186886278 532342436 /nfs/dbraw/zinc/34/24/36/532342436.db2.gz AHMMNHWJGRFFOC-JTQLQIEISA-N 1 1 391.331 2.436 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000183671020 532327384 /nfs/dbraw/zinc/32/73/84/532327384.db2.gz LKZCFMPAZVOORT-WDEREUQCSA-N 1 1 396.285 2.335 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183751928 532328719 /nfs/dbraw/zinc/32/87/19/532328719.db2.gz LBHFGTNCLNSNHJ-LLVKDONJSA-N 1 1 396.285 2.336 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000183753548 532329047 /nfs/dbraw/zinc/32/90/47/532329047.db2.gz DPYHZXGJLSRSPH-HBNTYKKESA-N 1 1 379.309 2.336 20 0 GEADMO CC1([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)OCCO1 ZINC000183910558 532329992 /nfs/dbraw/zinc/32/99/92/532329992.db2.gz VEFSCYMKPNKNLV-GFCCVEGCSA-N 1 1 384.274 2.258 20 0 GEADMO CC1([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)OCCO1 ZINC000183910558 532329994 /nfs/dbraw/zinc/32/99/94/532329994.db2.gz VEFSCYMKPNKNLV-GFCCVEGCSA-N 1 1 384.274 2.258 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)CCSc1ccccc1Br ZINC000183989771 532330618 /nfs/dbraw/zinc/33/06/18/532330618.db2.gz YBSVWZNEVBSLCK-UHFFFAOYSA-N 1 1 375.332 2.362 20 0 GEADMO Cc1ccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(Br)n1 ZINC000184542575 532333423 /nfs/dbraw/zinc/33/34/23/532333423.db2.gz BNMYDQAMWZDJNU-ZDUSSCGKSA-N 1 1 384.322 2.300 20 0 GEADMO COc1nc(N2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)ncc1Br ZINC000184672432 532334311 /nfs/dbraw/zinc/33/43/11/532334311.db2.gz DJALEQQHCIAINN-LBPRGKRZSA-N 1 1 385.306 2.327 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187825243 532345814 /nfs/dbraw/zinc/34/58/14/532345814.db2.gz XGQQKBMBOGRZDO-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187825243 532345815 /nfs/dbraw/zinc/34/58/15/532345815.db2.gz XGQQKBMBOGRZDO-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)NCCCCCS(C)(=O)=O)c1ccccc1Cl ZINC000188205468 532347336 /nfs/dbraw/zinc/34/73/36/532347336.db2.gz LSBXBDSINCKNKQ-INIZCTEOSA-N 1 1 389.949 2.457 20 0 GEADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1N ZINC000188404944 532348112 /nfs/dbraw/zinc/34/81/12/532348112.db2.gz XVXYQBYIGUBXAF-UHFFFAOYSA-N 1 1 384.318 2.462 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000188704602 532349279 /nfs/dbraw/zinc/34/92/79/532349279.db2.gz CSGYXTNIZLQDCF-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO COCc1c(Br)cccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188812854 532349743 /nfs/dbraw/zinc/34/97/43/532349743.db2.gz RPBXJOLCKOCFLE-GFCCVEGCSA-N 1 1 386.290 2.126 20 0 GEADMO COCc1c(Br)cccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188812854 532349744 /nfs/dbraw/zinc/34/97/44/532349744.db2.gz RPBXJOLCKOCFLE-GFCCVEGCSA-N 1 1 386.290 2.126 20 0 GEADMO C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1CC(C)(C)O ZINC000188897475 532350144 /nfs/dbraw/zinc/35/01/44/532350144.db2.gz WTQZZPVNXJLUKN-CYBMUJFWSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189341059 532351758 /nfs/dbraw/zinc/35/17/58/532351758.db2.gz UYRVHVMXSXXBPJ-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000189393171 532351852 /nfs/dbraw/zinc/35/18/52/532351852.db2.gz HXSPBLXOMGHWIE-SNVBAGLBSA-N 1 1 387.303 2.059 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189412282 532352017 /nfs/dbraw/zinc/35/20/17/532352017.db2.gz RAGXCQZAAHCTNW-NSHDSACASA-N 1 1 399.289 2.369 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)C1 ZINC000189563341 532352782 /nfs/dbraw/zinc/35/27/82/532352782.db2.gz RIKRLMPUTRYVQW-QWHCGFSZSA-N 1 1 395.301 2.386 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000189767955 532353610 /nfs/dbraw/zinc/35/36/10/532353610.db2.gz POBQNSCYSVJJCU-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO COCCC[N@@H+](CCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000189914385 532354036 /nfs/dbraw/zinc/35/40/36/532354036.db2.gz 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Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000190083781 532354784 /nfs/dbraw/zinc/35/47/84/532354784.db2.gz XZDJNNMACODKDK-GXTWGEPZSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190100466 532354814 /nfs/dbraw/zinc/35/48/14/532354814.db2.gz AAKKKFCNESMDIJ-ZYHUDNBSSA-N 1 1 384.249 2.222 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000190085578 532354827 /nfs/dbraw/zinc/35/48/27/532354827.db2.gz CHRYLTKSNQTJFV-WDEREUQCSA-N 1 1 384.249 2.222 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Br ZINC000190102105 532354893 /nfs/dbraw/zinc/35/48/93/532354893.db2.gz COHIEJLDLNCKDK-JSGCOSHPSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC1CC(O)C1 ZINC000190114221 532354975 /nfs/dbraw/zinc/35/49/75/532354975.db2.gz UJCPZCKRFQWJDM-IFQILLTASA-N 1 1 388.249 2.321 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000190231068 532355286 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O=C(CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1cccc(Br)c1 ZINC000464797374 532405462 /nfs/dbraw/zinc/40/54/62/532405462.db2.gz FIKJTHXTBDXRHR-QGZVFWFLSA-N 1 1 380.286 2.380 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(I)c(F)cc3F)C[C@H]2C1 ZINC000192509576 532405629 /nfs/dbraw/zinc/40/56/29/532405629.db2.gz HMSZRCNEXSYJOV-DTORHVGOSA-N 1 1 392.187 2.203 20 0 GEADMO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000372746790 532406739 /nfs/dbraw/zinc/40/67/39/532406739.db2.gz VGFGZRPRUVSZNF-AWEZNQCLSA-N 1 1 380.539 2.129 20 0 GEADMO C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000679708284 532407282 /nfs/dbraw/zinc/40/72/82/532407282.db2.gz QDTSOGKWMJUMNU-ZDUSSCGKSA-N 1 1 382.913 2.413 20 0 GEADMO C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679708284 532407285 /nfs/dbraw/zinc/40/72/85/532407285.db2.gz QDTSOGKWMJUMNU-ZDUSSCGKSA-N 1 1 382.913 2.413 20 0 GEADMO C[N@@H+](CC(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F)[C@H]1CCSC1 ZINC000679693619 532407310 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CC[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426417309 532406459 /nfs/dbraw/zinc/40/64/59/532406459.db2.gz ADHYZPCGQDPAFD-HNNXBMFYSA-N 1 1 381.318 2.375 20 0 GEADMO Cc1cccc(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1Br ZINC000625113403 532408972 /nfs/dbraw/zinc/40/89/72/532408972.db2.gz NHMWBOGOOJHAIF-HNNXBMFYSA-N 1 1 396.329 2.004 20 0 GEADMO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000625146082 532412801 /nfs/dbraw/zinc/41/28/01/532412801.db2.gz CPHLLVRWJQBSJW-UHFFFAOYSA-N 1 1 377.279 2.365 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCCC1 ZINC000591398390 532410988 /nfs/dbraw/zinc/41/09/88/532410988.db2.gz GSZJWEHBEYLIFG-UHFFFAOYSA-N 1 1 385.917 2.377 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccnc1OCC(F)F ZINC000625152965 532414209 /nfs/dbraw/zinc/41/42/09/532414209.db2.gz PSXXSLVUWFYKKZ-CYBMUJFWSA-N 1 1 375.441 2.021 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccnc1OCC(F)F ZINC000625152965 532414215 /nfs/dbraw/zinc/41/42/15/532414215.db2.gz 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CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000193005119 532416653 /nfs/dbraw/zinc/41/66/53/532416653.db2.gz ZPMWYGPDUXRYOV-UHFFFAOYSA-N 1 1 387.311 2.074 20 0 GEADMO Cc1cc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)cs1 ZINC000372919050 532418803 /nfs/dbraw/zinc/41/88/03/532418803.db2.gz BOBWFWZJLJFJEG-CYBMUJFWSA-N 1 1 379.507 2.132 20 0 GEADMO Cc1cc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)cs1 ZINC000372919050 532418805 /nfs/dbraw/zinc/41/88/05/532418805.db2.gz BOBWFWZJLJFJEG-CYBMUJFWSA-N 1 1 379.507 2.132 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)nc12 ZINC000680555703 532417704 /nfs/dbraw/zinc/41/77/04/532417704.db2.gz WVVDLEUDPNKHHW-CYBMUJFWSA-N 1 1 380.290 2.299 20 0 GEADMO CCN(C(=O)C[NH2+]C1(c2ccccc2Cl)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000649643036 532418984 /nfs/dbraw/zinc/41/89/84/532418984.db2.gz WPESKSPZYUSPDL-CQSZACIVSA-N 1 1 384.929 2.344 20 0 GEADMO CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000465923554 532422073 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GEADMO CC[N@@H+](CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1)C1CC1 ZINC000561015633 532427182 /nfs/dbraw/zinc/42/71/82/532427182.db2.gz RTASTALWLCRTLY-UHFFFAOYSA-N 1 1 382.302 2.008 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC000281612917 532427206 /nfs/dbraw/zinc/42/72/06/532427206.db2.gz OTDQVAUAWWFWLY-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC000281612917 532427210 /nfs/dbraw/zinc/42/72/10/532427210.db2.gz OTDQVAUAWWFWLY-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000625432916 532427592 /nfs/dbraw/zinc/42/75/92/532427592.db2.gz QZYDOZZOXCBWOM-UHFFFAOYSA-N 1 1 385.228 2.378 20 0 GEADMO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000625432916 532427599 /nfs/dbraw/zinc/42/75/99/532427599.db2.gz QZYDOZZOXCBWOM-UHFFFAOYSA-N 1 1 385.228 2.378 20 0 GEADMO COc1c(Br)cccc1C[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000681367021 532427790 /nfs/dbraw/zinc/42/77/90/532427790.db2.gz JQUKIJGNAXQHAH-ABAIWWIYSA-N 1 1 393.285 2.475 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CN1CC[NH+](C)CC1 ZINC000681373116 532429617 /nfs/dbraw/zinc/42/96/17/532429617.db2.gz ALVYODJGZCNCAV-INIZCTEOSA-N 1 1 382.346 2.476 20 0 GEADMO COCCOCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000649897559 532429766 /nfs/dbraw/zinc/42/97/66/532429766.db2.gz YAZCSBZRGJRWQY-UHFFFAOYSA-N 1 1 390.311 2.213 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000518150985 532435729 /nfs/dbraw/zinc/43/57/29/532435729.db2.gz MGNZZLVEUWMMJN-MRXNPFEDSA-N 1 1 395.297 2.452 20 0 GEADMO Ic1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000517976390 532432607 /nfs/dbraw/zinc/43/26/07/532432607.db2.gz KTASLYXJONQRKW-HNNXBMFYSA-N 1 1 386.277 2.445 20 0 GEADMO Ic1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000517976390 532432613 /nfs/dbraw/zinc/43/26/13/532432613.db2.gz KTASLYXJONQRKW-HNNXBMFYSA-N 1 1 386.277 2.445 20 0 GEADMO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000518035244 532433315 /nfs/dbraw/zinc/43/33/15/532433315.db2.gz KVXGXFUDKRXHKJ-AWEZNQCLSA-N 1 1 399.314 2.115 20 0 GEADMO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000650064945 532433650 /nfs/dbraw/zinc/43/36/50/532433650.db2.gz ACLDJLYWLKYNKO-MJBXVCDLSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CCO ZINC000650064945 532433659 /nfs/dbraw/zinc/43/36/59/532433659.db2.gz ACLDJLYWLKYNKO-MJBXVCDLSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)N1CCO ZINC000650064945 532433666 /nfs/dbraw/zinc/43/36/66/532433666.db2.gz ACLDJLYWLKYNKO-MJBXVCDLSA-N 1 1 377.312 2.120 20 0 GEADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCO1 ZINC000466820307 532435225 /nfs/dbraw/zinc/43/52/25/532435225.db2.gz ZNGPVXSINJEKEI-AWEZNQCLSA-N 1 1 398.301 2.087 20 0 GEADMO COc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000626582595 532441216 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/nfs/dbraw/zinc/81/79/76/532817976.db2.gz MWLRQLTXJHQQGX-UHFFFAOYSA-N 1 1 386.338 2.051 20 0 GEADMO CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413874594 532816024 /nfs/dbraw/zinc/81/60/24/532816024.db2.gz IJGRPEFHYQBJQE-OAHLLOKOSA-N 1 1 384.318 2.484 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccncc2Br)CC1 ZINC000272670827 532816854 /nfs/dbraw/zinc/81/68/54/532816854.db2.gz KSHNBMVAPVQZPI-ZDUSSCGKSA-N 1 1 384.322 2.239 20 0 GEADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccncc2Br)CC1 ZINC000272670826 532817030 /nfs/dbraw/zinc/81/70/30/532817030.db2.gz KSHNBMVAPVQZPI-CYBMUJFWSA-N 1 1 384.322 2.239 20 0 GEADMO CN(C(=O)COc1cccc(Br)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414049407 532818393 /nfs/dbraw/zinc/81/83/93/532818393.db2.gz HRIUTTMPMXYFJJ-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC000272933583 532819582 /nfs/dbraw/zinc/81/95/82/532819582.db2.gz LFLXRGHMCDPYBW-MLGOLLRUSA-N 1 1 382.302 2.432 20 0 GEADMO CN(C(=O)COc1ccccc1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000414046404 532818143 /nfs/dbraw/zinc/81/81/43/532818143.db2.gz ZKHFDCMNEAXYSH-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414369943 532822827 /nfs/dbraw/zinc/82/28/27/532822827.db2.gz VNCQRSOBXNXMKV-CYBMUJFWSA-N 1 1 387.548 2.494 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414402362 532824775 /nfs/dbraw/zinc/82/47/75/532824775.db2.gz PFNPQICGCWNEAY-UHFFFAOYSA-N 1 1 377.246 2.207 20 0 GEADMO C[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@H+]1CCCC[C@H]1C ZINC000414404475 532824805 /nfs/dbraw/zinc/82/48/05/532824805.db2.gz IEIQQKRUOZVJAO-VXGBXAGGSA-N 1 1 380.290 2.485 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccsc2Br)[C@@H](C)C1 ZINC000288366315 532825428 /nfs/dbraw/zinc/82/54/28/532825428.db2.gz DSRFFZZNXYLQTQ-WDEREUQCSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288371760 532825666 /nfs/dbraw/zinc/82/56/66/532825666.db2.gz FBLSWAHEWXJUMB-RWMBFGLXSA-N 1 1 385.306 2.002 20 0 GEADMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2=O)cc1 ZINC000414432652 532827086 /nfs/dbraw/zinc/82/70/86/532827086.db2.gz JJKMYOWKDKGACQ-MRXNPFEDSA-N 1 1 378.519 2.351 20 0 GEADMO CCS(=O)(=O)CCC[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000414548311 532831677 /nfs/dbraw/zinc/83/16/77/532831677.db2.gz XLVWCDONDGXERB-UHFFFAOYSA-N 1 1 380.304 2.381 20 0 GEADMO Cc1c(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000273717687 532832403 /nfs/dbraw/zinc/83/24/03/532832403.db2.gz GGAAIXDIWCKMNE-UHFFFAOYSA-N 1 1 380.901 2.374 20 0 GEADMO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000331100567 532833146 /nfs/dbraw/zinc/83/31/46/532833146.db2.gz CXDMEIMFFKJFNB-NSHDSACASA-N 1 1 383.290 2.019 20 0 GEADMO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000274039922 532839879 /nfs/dbraw/zinc/83/98/79/532839879.db2.gz OLYWKDJCRXFXBA-QWRGUYRKSA-N 1 1 382.262 2.102 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415244341 532840022 /nfs/dbraw/zinc/84/00/22/532840022.db2.gz XQMSAORLIPLZEH-UHFFFAOYSA-N 1 1 391.106 2.285 20 0 GEADMO Ic1c[nH]c(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c1 ZINC000274146017 532842195 /nfs/dbraw/zinc/84/21/95/532842195.db2.gz YKOQJDBRJAZXAY-ONGXEEELSA-N 1 1 386.193 2.205 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000274159697 532842768 /nfs/dbraw/zinc/84/27/68/532842768.db2.gz GHHFUNRQOURARX-DOMZBBRYSA-N 1 1 377.286 2.433 20 0 GEADMO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000359870474 206266231 /nfs/dbraw/zinc/26/62/31/206266231.db2.gz MDCFSLRKNMFMNR-AWEZNQCLSA-N 1 1 386.418 2.233 20 0 GEADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000359926590 206270980 /nfs/dbraw/zinc/27/09/80/206270980.db2.gz IDQYNNKHRUJPIC-CQSZACIVSA-N 1 1 394.483 2.454 20 0 GEADMO CNC(=O)CCCN(C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000359997884 206278186 /nfs/dbraw/zinc/27/81/86/206278186.db2.gz VMRLRSMLZSUMLF-XUVXKRRUSA-N 1 1 386.540 2.455 20 0 GEADMO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000359999522 206278512 /nfs/dbraw/zinc/27/85/12/206278512.db2.gz ZLTSRICZOOQELF-GFOJFJKKSA-N 1 1 397.523 2.053 20 0 GEADMO Cn1cncc1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013248 532844420 /nfs/dbraw/zinc/84/44/20/532844420.db2.gz AFMUIFMGFPOBSY-CYBMUJFWSA-N 1 1 392.301 2.471 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@H+]1C ZINC000331828524 532845238 /nfs/dbraw/zinc/84/52/38/532845238.db2.gz ROQHQDCRNLUVIH-ZWNOBZJWSA-N 1 1 389.315 2.145 20 0 GEADMO O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1Cc1cnc(Cl)s1 ZINC000274277065 532846909 /nfs/dbraw/zinc/84/69/09/532846909.db2.gz ALYMJHBTAWOXCB-QGZVFWFLSA-N 1 1 376.869 2.493 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000274274829 532847139 /nfs/dbraw/zinc/84/71/39/532847139.db2.gz XQVGYOOVTSGLRG-UHFFFAOYSA-N 1 1 377.286 2.449 20 0 GEADMO Cn1cnc(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000274405416 532849610 /nfs/dbraw/zinc/84/96/10/532849610.db2.gz NOGIGKWOJFSHJN-CYBMUJFWSA-N 1 1 376.404 2.020 20 0 GEADMO CSc1cc2c(cc1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1)OCCO2 ZINC000289324107 532852103 /nfs/dbraw/zinc/85/21/03/532852103.db2.gz FZZGKNWYNTYWIH-AWEZNQCLSA-N 1 1 386.539 2.036 20 0 GEADMO CSc1cc2c(cc1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1)OCCO2 ZINC000289324107 532852106 /nfs/dbraw/zinc/85/21/06/532852106.db2.gz FZZGKNWYNTYWIH-AWEZNQCLSA-N 1 1 386.539 2.036 20 0 GEADMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(Br)s1 ZINC000332358534 532852919 /nfs/dbraw/zinc/85/29/19/532852919.db2.gz SSYDTVVALYLFLH-SECBINFHSA-N 1 1 375.292 2.334 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc(C)c1Br ZINC000332374119 532853608 /nfs/dbraw/zinc/85/36/08/532853608.db2.gz SYGVDMVFHLDKCK-INIZCTEOSA-N 1 1 386.265 2.164 20 0 GEADMO COc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1Cl ZINC000415770476 532856800 /nfs/dbraw/zinc/85/68/00/532856800.db2.gz GQOZQLZNWCLXSD-HNNXBMFYSA-N 1 1 378.231 2.101 20 0 GEADMO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2s1 ZINC000415772434 532856942 /nfs/dbraw/zinc/85/69/42/532856942.db2.gz FEYSUWMFQBIOFH-INIZCTEOSA-N 1 1 384.864 2.357 20 0 GEADMO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289490651 532856758 /nfs/dbraw/zinc/85/67/58/532856758.db2.gz OZJAAWPGJXKVRG-GFCCVEGCSA-N 1 1 377.432 2.097 20 0 GEADMO CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289490651 532856762 /nfs/dbraw/zinc/85/67/62/532856762.db2.gz OZJAAWPGJXKVRG-GFCCVEGCSA-N 1 1 377.432 2.097 20 0 GEADMO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415787681 532857382 /nfs/dbraw/zinc/85/73/82/532857382.db2.gz QVYJBTBKDPSBBO-OAHLLOKOSA-N 1 1 378.231 2.101 20 0 GEADMO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289592398 532859984 /nfs/dbraw/zinc/85/99/84/532859984.db2.gz UHMNUQWZOHHWET-JSGCOSHPSA-N 1 1 381.274 2.313 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)CC(=O)Nc1ccccc1Br ZINC000289595196 532860213 /nfs/dbraw/zinc/86/02/13/532860213.db2.gz ZVEWEKLPIJMQBO-UHFFFAOYSA-N 1 1 385.350 2.203 20 0 GEADMO CN(CCCN(C)CC(=O)Nc1ccccc1Br)CC[NH+](C)C ZINC000289595196 532860215 /nfs/dbraw/zinc/86/02/15/532860215.db2.gz ZVEWEKLPIJMQBO-UHFFFAOYSA-N 1 1 385.350 2.203 20 0 GEADMO CSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333115574 532864354 /nfs/dbraw/zinc/86/43/54/532864354.db2.gz HFUQMKLBNXOAQL-CYBMUJFWSA-N 1 1 382.917 2.490 20 0 GEADMO Cc1c(Br)cccc1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333137369 532864558 /nfs/dbraw/zinc/86/45/58/532864558.db2.gz KLDMLADCGZAKCZ-ZDUSSCGKSA-N 1 1 395.301 2.186 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000416141899 532864935 /nfs/dbraw/zinc/86/49/35/532864935.db2.gz AYNMBFWRVJFHNQ-UHFFFAOYSA-N 1 1 385.302 2.184 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000333166402 532865211 /nfs/dbraw/zinc/86/52/11/532865211.db2.gz MVIRYJSWYCWIKU-GXTWGEPZSA-N 1 1 388.917 2.462 20 0 GEADMO 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GEADMO Ic1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)nc1 ZINC000351089774 532887184 /nfs/dbraw/zinc/88/71/84/532887184.db2.gz LRQLVKDDRXWPSU-PWSUYJOCSA-N 1 1 398.204 2.272 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000290593923 532884845 /nfs/dbraw/zinc/88/48/45/532884845.db2.gz IVAKVFKPLDJZHU-UHFFFAOYSA-N 1 1 397.361 2.218 20 0 GEADMO CN(CCCN(C)C(=O)C1(c2cncc(Br)c2)CC1)CC[NH+](C)C ZINC000290593923 532884846 /nfs/dbraw/zinc/88/48/46/532884846.db2.gz IVAKVFKPLDJZHU-UHFFFAOYSA-N 1 1 397.361 2.218 20 0 GEADMO C[C@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1=CC[N@@H+](C)CC1 ZINC000276077783 532888552 /nfs/dbraw/zinc/88/85/52/532888552.db2.gz LYOKKCUNFPDQBE-LBPRGKRZSA-N 1 1 392.297 2.105 20 0 GEADMO O=C1C[C@H]([N@@H+]2CC[C@@H](n3cccn3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000290869375 532891292 /nfs/dbraw/zinc/89/12/92/532891292.db2.gz AUSLYDQYYBCXFS-CABCVRRESA-N 1 1 389.253 2.225 20 0 GEADMO O=C1C[C@H]([N@H+]2CC[C@@H](n3cccn3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000290869375 532891294 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COC(=O)C[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000423084623 532893409 /nfs/dbraw/zinc/89/34/09/532893409.db2.gz IFUNOGJFDULIJS-LBPRGKRZSA-N 1 1 398.282 2.325 20 0 GEADMO O=S1(=O)CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290960259 532893505 /nfs/dbraw/zinc/89/35/05/532893505.db2.gz WGCNQWXLGJOCRZ-QMMMGPOBSA-N 1 1 398.120 2.131 20 0 GEADMO C[C@H](C[C@H]1COCC[NH2+]1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084433 532893673 /nfs/dbraw/zinc/89/36/73/532893673.db2.gz HYUUGVWUBNEOMN-CJNGLKHVSA-N 1 1 379.302 2.491 20 0 GEADMO [NH3+]C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000423099266 532894148 /nfs/dbraw/zinc/89/41/48/532894148.db2.gz FGVISEDWYGXAPI-RISCZKNCSA-N 1 1 387.265 2.337 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000361909195 532894219 /nfs/dbraw/zinc/89/42/19/532894219.db2.gz SNQUUGXMEVJSDM-BBRMVZONSA-N 1 1 394.313 2.122 20 0 GEADMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000361955080 532894544 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OASHXEYOEDJFLO-CQSZACIVSA-N 1 1 391.269 2.013 20 0 GEADMO CN(C)C(=O)CC[NH+]1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000276905703 532903083 /nfs/dbraw/zinc/90/30/83/532903083.db2.gz MHWSQDIXVKFDCJ-UHFFFAOYSA-N 1 1 375.698 2.098 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000364050086 532903067 /nfs/dbraw/zinc/90/30/67/532903067.db2.gz JAFDBXFXYBIOLR-MRXNPFEDSA-N 1 1 384.307 2.477 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)NC[C@@H]1CSCCS1 ZINC000364115956 532903503 /nfs/dbraw/zinc/90/35/03/532903503.db2.gz UVNREAGBPZWQBU-IAGOWNOFSA-N 1 1 380.583 2.441 20 0 GEADMO CN(CCc1cccc(Br)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000291531460 532903557 /nfs/dbraw/zinc/90/35/57/532903557.db2.gz QHKXASRCYISLAY-UHFFFAOYSA-N 1 1 384.318 2.355 20 0 GEADMO Cc1cnc(Br)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000291550169 532904110 /nfs/dbraw/zinc/90/41/10/532904110.db2.gz UDMYIMBWPIAAGD-YHWZYXNKSA-N 1 1 395.301 2.223 20 0 GEADMO CC(C)S(=O)(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276950952 532904250 /nfs/dbraw/zinc/90/42/50/532904250.db2.gz DTJHFAMVPIHAEH-HOCLYGCPSA-N 1 1 376.881 2.164 20 0 GEADMO CC(C)S(=O)(=O)CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276950948 532904435 /nfs/dbraw/zinc/90/44/35/532904435.db2.gz DTJHFAMVPIHAEH-GOEBONIOSA-N 1 1 376.881 2.164 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000364295192 532905875 /nfs/dbraw/zinc/90/58/75/532905875.db2.gz JCPQBCZUCPEGQP-GOEBONIOSA-N 1 1 379.551 2.019 20 0 GEADMO Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc(Br)n3)CCC[N@H+]2C)cn1 ZINC000364310307 532906050 /nfs/dbraw/zinc/90/60/50/532906050.db2.gz XYJKGTPHEZOLOZ-LRDDRELGSA-N 1 1 392.301 2.391 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cnc2Br)[C@H](C)C1 ZINC000291651696 532906225 /nfs/dbraw/zinc/90/62/25/532906225.db2.gz DWLSBKIUHIDAJP-TZMCWYRMSA-N 1 1 397.317 2.280 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n1C ZINC000277034213 532906644 /nfs/dbraw/zinc/90/66/44/532906644.db2.gz MZYIFDDAZIALCY-UHFFFAOYSA-N 1 1 388.230 2.187 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CC[C@H]21 ZINC000291708364 532907377 /nfs/dbraw/zinc/90/73/77/532907377.db2.gz JHTNKZMORCNCAX-VHSXEESVSA-N 1 1 376.404 2.043 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccsc2S1(=O)=O ZINC000291859061 532909831 /nfs/dbraw/zinc/90/98/31/532909831.db2.gz IPFJHZZMDWYLNG-RVSPLBMKSA-N 1 1 383.539 2.092 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000365355132 532909900 /nfs/dbraw/zinc/90/99/00/532909900.db2.gz KDZYMTXYSGHJBA-AWEZNQCLSA-N 1 1 384.293 2.440 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000365336846 532909933 /nfs/dbraw/zinc/90/99/33/532909933.db2.gz OHSKMDKYCOTPCP-AWEZNQCLSA-N 1 1 396.329 2.310 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000291863475 532910102 /nfs/dbraw/zinc/91/01/02/532910102.db2.gz JDMKVBIDLCSCFO-CQSZACIVSA-N 1 1 377.279 2.305 20 0 GEADMO CCN1C(=O)[C@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CCN2C1=O ZINC000364867156 532908484 /nfs/dbraw/zinc/90/84/84/532908484.db2.gz CONWDVQKGPYIDX-OAHLLOKOSA-N 1 1 389.253 2.470 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(I)cnn1C ZINC000292646883 532917398 /nfs/dbraw/zinc/91/73/98/532917398.db2.gz DOPAZAXLHSPNQD-LLVKDONJSA-N 1 1 390.269 2.019 20 0 GEADMO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000366521799 532918500 /nfs/dbraw/zinc/91/85/00/532918500.db2.gz ZYIWNEZXFHZKKP-HUUCEWRRSA-N 1 1 396.329 2.491 20 0 GEADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccc1Cl ZINC000292837715 532919221 /nfs/dbraw/zinc/91/92/21/532919221.db2.gz UQYNAWXQTGAAEX-KRWDZBQOSA-N 1 1 384.885 2.032 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000292865254 532919524 /nfs/dbraw/zinc/91/95/24/532919524.db2.gz RXPWRPBWZQUWMJ-JKSUJKDBSA-N 1 1 376.881 2.104 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000366642445 532919617 /nfs/dbraw/zinc/91/96/17/532919617.db2.gz VKRACNPCJNGGMO-CJNGLKHVSA-N 1 1 382.917 2.262 20 0 GEADMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC000292906082 532919812 /nfs/dbraw/zinc/91/98/12/532919812.db2.gz WKKISUVTQSTPLP-KRWDZBQOSA-N 1 1 380.901 2.390 20 0 GEADMO Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366651693 532919927 /nfs/dbraw/zinc/91/99/27/532919927.db2.gz WAFFZCGIXMWYPI-BXUZGUMPSA-N 1 1 388.946 2.496 20 0 GEADMO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367036177 532922308 /nfs/dbraw/zinc/92/23/08/532922308.db2.gz FRXJJWQVSOZSFK-AWEZNQCLSA-N 1 1 377.901 2.111 20 0 GEADMO OCc1cn([C@H]2CCC[N@H+](CCOc3ccccc3Br)C2)nn1 ZINC000292969974 532920546 /nfs/dbraw/zinc/92/05/46/532920546.db2.gz MGYYTQRIIPLXKZ-AWEZNQCLSA-N 1 1 381.274 2.249 20 0 GEADMO OCc1cn([C@H]2CCC[N@@H+](CCOc3ccccc3Br)C2)nn1 ZINC000292969974 532920548 /nfs/dbraw/zinc/92/05/48/532920548.db2.gz MGYYTQRIIPLXKZ-AWEZNQCLSA-N 1 1 381.274 2.249 20 0 GEADMO C[C@H](C(=O)N1CC[C@@H](Nc2cccc(Br)c2)C1)N1CC[NH+](C)CC1 ZINC000366811416 532921406 /nfs/dbraw/zinc/92/14/06/532921406.db2.gz QCJMHNIRXDHGRK-RHSMWYFYSA-N 1 1 395.345 2.098 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000293336919 532925495 /nfs/dbraw/zinc/92/54/95/532925495.db2.gz SAHSICHLRYQHAO-JKSUJKDBSA-N 1 1 382.302 2.183 20 0 GEADMO OCc1cn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)nn1 ZINC000293125700 532922399 /nfs/dbraw/zinc/92/23/99/532922399.db2.gz ZMSWRMMPRKWJRH-CZUORRHYSA-N 1 1 399.264 2.043 20 0 GEADMO OCc1cn([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)nn1 ZINC000293125700 532922401 /nfs/dbraw/zinc/92/24/01/532922401.db2.gz ZMSWRMMPRKWJRH-CZUORRHYSA-N 1 1 399.264 2.043 20 0 GEADMO Brc1ccccc1-n1nnnc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293204896 532923515 /nfs/dbraw/zinc/92/35/15/532923515.db2.gz XWBWAGICPJITAT-UHFFFAOYSA-N 1 1 394.273 2.154 20 0 GEADMO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367272012 532924149 /nfs/dbraw/zinc/92/41/49/532924149.db2.gz RHSBSFTYZIVOGY-OWCLPIDISA-N 1 1 382.302 2.409 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293341756 532925579 /nfs/dbraw/zinc/92/55/79/532925579.db2.gz WTGJAHASESUJRU-QGZVFWFLSA-N 1 1 398.276 2.389 20 0 GEADMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1Cl ZINC000293457333 532927007 /nfs/dbraw/zinc/92/70/07/532927007.db2.gz WLNCFYFWLWOTCH-ZDUSSCGKSA-N 1 1 388.917 2.434 20 0 GEADMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1Cl ZINC000293457333 532927009 /nfs/dbraw/zinc/92/70/09/532927009.db2.gz WLNCFYFWLWOTCH-ZDUSSCGKSA-N 1 1 388.917 2.434 20 0 GEADMO O=C(NCCCCn1cc(Br)cn1)c1cc(C[NH+]2CCCC2)on1 ZINC000293358877 532925853 /nfs/dbraw/zinc/92/58/53/532925853.db2.gz PSOVREYWHKVPBA-UHFFFAOYSA-N 1 1 396.289 2.440 20 0 GEADMO COc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)sc1Br ZINC000293749400 532931040 /nfs/dbraw/zinc/93/10/40/532931040.db2.gz TYPQKUHKBVMJSF-NXEZZACHSA-N 1 1 377.304 2.046 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000368340851 532931764 /nfs/dbraw/zinc/93/17/64/532931764.db2.gz MYWALGJDKHCBFC-CMPLNLGQSA-N 1 1 390.237 2.199 20 0 GEADMO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)s2)cs1 ZINC000368565055 532933237 /nfs/dbraw/zinc/93/32/37/532933237.db2.gz ZPKRJKNMXMKORH-STQMWFEESA-N 1 1 399.563 2.322 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000293950596 532933692 /nfs/dbraw/zinc/93/36/92/532933692.db2.gz RTZLKBYIRAAXHP-LSDHHAIUSA-N 1 1 393.285 2.032 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4sc(N(C)C)nc4s3)[C@H]2C1 ZINC000293974801 532933924 /nfs/dbraw/zinc/93/39/24/532933924.db2.gz VBKVOZXGBUMMPT-NWDGAFQWSA-N 1 1 380.539 2.359 20 0 GEADMO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369028800 532936539 /nfs/dbraw/zinc/93/65/39/532936539.db2.gz SSDMJHVPCXTRQP-GJZGRUSLSA-N 1 1 386.265 2.251 20 0 GEADMO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369026096 532936546 /nfs/dbraw/zinc/93/65/46/532936546.db2.gz HBXXRUNRTSGLGI-HUUCEWRRSA-N 1 1 398.301 2.120 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000369071007 532936775 /nfs/dbraw/zinc/93/67/75/532936775.db2.gz LKDMJTZQVWADOI-YUELXQCFSA-N 1 1 388.917 2.269 20 0 GEADMO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369288395 532937706 /nfs/dbraw/zinc/93/77/06/532937706.db2.gz QDHWFEAEQFWOJT-NWDGAFQWSA-N 1 1 379.309 2.276 20 0 GEADMO COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369275846 532937795 /nfs/dbraw/zinc/93/77/95/532937795.db2.gz ZESAQXFLJKYRCQ-CQSZACIVSA-N 1 1 396.329 2.356 20 0 GEADMO COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369275846 532937796 /nfs/dbraw/zinc/93/77/96/532937796.db2.gz ZESAQXFLJKYRCQ-CQSZACIVSA-N 1 1 396.329 2.356 20 0 GEADMO C[C@H](CO)[N@H+]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000368967384 532935901 /nfs/dbraw/zinc/93/59/01/532935901.db2.gz XIBDTHAIGBPOAG-CYBMUJFWSA-N 1 1 395.301 2.388 20 0 GEADMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000368972892 532935925 /nfs/dbraw/zinc/93/59/25/532935925.db2.gz IDYBHSOQOJPIKW-WPGHFRTFSA-N 1 1 380.286 2.364 20 0 GEADMO C[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CCN(c2cnccn2)CC1 ZINC000369311391 532938187 /nfs/dbraw/zinc/93/81/87/532938187.db2.gz GSSVNGFHHWOZDM-UHFFFAOYSA-N 1 1 379.917 2.409 20 0 GEADMO Cc1cnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)s1 ZINC000369355154 532939057 /nfs/dbraw/zinc/93/90/57/532939057.db2.gz PGJBZWOAJLUZJJ-GHMZBOCLSA-N 1 1 378.420 2.408 20 0 GEADMO Cc1cnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)s1 ZINC000369355154 532939059 /nfs/dbraw/zinc/93/90/59/532939059.db2.gz PGJBZWOAJLUZJJ-GHMZBOCLSA-N 1 1 378.420 2.408 20 0 GEADMO CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@H](C)CS(C)(=O)=O ZINC000369532350 532939757 /nfs/dbraw/zinc/93/97/57/532939757.db2.gz SLCHKRUOOIRFTC-YCPHGPKFSA-N 1 1 387.571 2.206 20 0 GEADMO CCN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[C@H](C)CS(C)(=O)=O ZINC000369532350 532939758 /nfs/dbraw/zinc/93/97/58/532939758.db2.gz SLCHKRUOOIRFTC-YCPHGPKFSA-N 1 1 387.571 2.206 20 0 GEADMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Br)ncc1Cl ZINC000370397817 532943262 /nfs/dbraw/zinc/94/32/62/532943262.db2.gz OFUGTJKRWUREQM-WDEREUQCSA-N 1 1 388.693 2.481 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Br)ncc1Cl ZINC000370397817 532943263 /nfs/dbraw/zinc/94/32/63/532943263.db2.gz OFUGTJKRWUREQM-WDEREUQCSA-N 1 1 388.693 2.481 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CN2CCCC[C@H]2CO1 ZINC000370422908 532943462 /nfs/dbraw/zinc/94/34/62/532943462.db2.gz SWATVVBLEJDBHM-JKSUJKDBSA-N 1 1 386.945 2.477 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000369959844 532941471 /nfs/dbraw/zinc/94/14/71/532941471.db2.gz KRHBNMSGOXBUJP-LBPRGKRZSA-N 1 1 389.315 2.317 20 0 GEADMO CC(C)[N@H+]1CCc2nc(CN(CCO)CCOCC(F)(F)F)sc2C1 ZINC000369964244 532941536 /nfs/dbraw/zinc/94/15/36/532941536.db2.gz STUURQRLVOZPEF-UHFFFAOYSA-N 1 1 381.464 2.283 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)[C@@H]1NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000370071902 532942038 /nfs/dbraw/zinc/94/20/38/532942038.db2.gz VODKEPYDISVCOW-ZKYQVNSYSA-N 1 1 377.794 2.126 20 0 GEADMO COc1ccc(Br)cc1/C=C/C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370780494 532945433 /nfs/dbraw/zinc/94/54/33/532945433.db2.gz SKJAIARXVILLEZ-OUGHUQCRSA-N 1 1 395.297 2.404 20 0 GEADMO O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000370610847 532944388 /nfs/dbraw/zinc/94/43/88/532944388.db2.gz QZSKAGMVPKQWHM-HNNXBMFYSA-N 1 1 375.270 2.326 20 0 GEADMO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000371373898 532947914 /nfs/dbraw/zinc/94/79/14/532947914.db2.gz CGTMGNRPPXSPDR-DOTOQJQBSA-N 1 1 385.961 2.295 20 0 GEADMO CN1CC[NH+](C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000371424764 532948047 /nfs/dbraw/zinc/94/80/47/532948047.db2.gz PNSDUBJGKXRJOQ-CQSZACIVSA-N 1 1 389.924 2.127 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000371411960 532948070 /nfs/dbraw/zinc/94/80/70/532948070.db2.gz QZAHGGOTYCGNGJ-INIZCTEOSA-N 1 1 392.297 2.054 20 0 GEADMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(Cl)s2)cn1 ZINC000371456584 532948272 /nfs/dbraw/zinc/94/82/72/532948272.db2.gz GTFHVEVPLNLBJD-ZFWWWQNUSA-N 1 1 382.917 2.339 20 0 GEADMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(Cl)s2)cn1 ZINC000371456584 532948273 /nfs/dbraw/zinc/94/82/73/532948273.db2.gz GTFHVEVPLNLBJD-ZFWWWQNUSA-N 1 1 382.917 2.339 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371051652 532946683 /nfs/dbraw/zinc/94/66/83/532946683.db2.gz ACAGFADYRVHACJ-LBPRGKRZSA-N 1 1 386.880 2.379 20 0 GEADMO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371102449 532947050 /nfs/dbraw/zinc/94/70/50/532947050.db2.gz ZSLZYRNMNRONIH-CQSZACIVSA-N 1 1 392.297 2.406 20 0 GEADMO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000371832598 532949707 /nfs/dbraw/zinc/94/97/07/532949707.db2.gz OLLHEFIFKXHJJO-QWHCGFSZSA-N 1 1 396.285 2.139 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000095994288 136183040 /nfs/dbraw/zinc/18/30/40/136183040.db2.gz NFOPZTMDPROIGN-ZWOKBUDYSA-N 1 1 375.513 2.333 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736401452 598825341 /nfs/dbraw/zinc/82/53/41/598825341.db2.gz WZVANCBJWYLEBK-HKUYNNGSSA-N 1 1 397.527 2.216 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737880107 598833708 /nfs/dbraw/zinc/83/37/08/598833708.db2.gz YVTQKZNFQNJNFA-GOSISDBHSA-N 1 1 378.436 2.349 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737880107 598833710 /nfs/dbraw/zinc/83/37/10/598833710.db2.gz YVTQKZNFQNJNFA-GOSISDBHSA-N 1 1 378.436 2.349 20 0 GEADMO CSCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1nnc2ccccn21 ZINC000737182502 598837292 /nfs/dbraw/zinc/83/72/92/598837292.db2.gz RLRLGVFZCPLCJA-HNNXBMFYSA-N 1 1 380.481 2.493 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736399667 598840203 /nfs/dbraw/zinc/84/02/03/598840203.db2.gz JPBNUKDOWHHKNX-HNNXBMFYSA-N 1 1 375.452 2.070 20 0 GEADMO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705173 598861933 /nfs/dbraw/zinc/86/19/33/598861933.db2.gz FWUVRBMOHQZXKO-SJLPKXTDSA-N 1 1 395.467 2.177 20 0 GEADMO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000736902083 598862496 /nfs/dbraw/zinc/86/24/96/598862496.db2.gz QWTUDRRXIDMHNI-QXGSTGNESA-N 1 1 398.511 2.418 20 0 GEADMO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)on1 ZINC000735921166 598866390 /nfs/dbraw/zinc/86/63/90/598866390.db2.gz MOXUHHQSQTYMCO-UHFFFAOYSA-N 1 1 395.467 2.326 20 0 GEADMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)on1 ZINC000735921166 598866391 /nfs/dbraw/zinc/86/63/91/598866391.db2.gz MOXUHHQSQTYMCO-UHFFFAOYSA-N 1 1 395.467 2.326 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736266856 598868365 /nfs/dbraw/zinc/86/83/65/598868365.db2.gz KPSMVJYJZZBGTK-DLBZAZTESA-N 1 1 398.511 2.359 20 0 GEADMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000736609382 598872897 /nfs/dbraw/zinc/87/28/97/598872897.db2.gz QLSRDUWWHQDZGR-GFCCVEGCSA-N 1 1 378.864 2.207 20 0 GEADMO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737862933 598897875 /nfs/dbraw/zinc/89/78/75/598897875.db2.gz DNEZFPQABJAORD-LJQANCHMSA-N 1 1 392.463 2.177 20 0 GEADMO O=C(CC[N@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838174 598898073 /nfs/dbraw/zinc/89/80/73/598898073.db2.gz JTCKGZSSMYTTEW-LJQANCHMSA-N 1 1 392.463 2.177 20 0 GEADMO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737866333 598917644 /nfs/dbraw/zinc/91/76/44/598917644.db2.gz ZPZSLDOKUBJUFQ-LJQANCHMSA-N 1 1 392.463 2.177 20 0 GEADMO OC[C@]1(NCc2ccc(-c3nn[nH]n3)cc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000738393393 598918212 /nfs/dbraw/zinc/91/82/12/598918212.db2.gz KMZGIDVQDBOHRD-NRFANRHFSA-N 1 1 396.470 2.123 20 0 GEADMO OC[C@]1(NCc2ccc(-c3nn[nH]n3)cc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000738393393 598918214 /nfs/dbraw/zinc/91/82/14/598918214.db2.gz KMZGIDVQDBOHRD-NRFANRHFSA-N 1 1 396.470 2.123 20 0 GEADMO O=C(COc1ccccc1-c1nn[nH]n1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000737932163 598928067 /nfs/dbraw/zinc/92/80/67/598928067.db2.gz STBJPSQEEXDWOW-KRWDZBQOSA-N 1 1 392.463 2.026 20 0 GEADMO OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000738392757 598933871 /nfs/dbraw/zinc/93/38/71/598933871.db2.gz HCOQNHKBTNIALW-NVXWUHKLSA-N 1 1 399.886 2.210 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC000738392332 598934122 /nfs/dbraw/zinc/93/41/22/598934122.db2.gz BBPGVMHIJJWFRF-RDJZCZTQSA-N 1 1 382.443 2.301 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCCO1 ZINC000736534671 598945617 /nfs/dbraw/zinc/94/56/17/598945617.db2.gz NPBCIAAJSRJOHC-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736566140 598952037 /nfs/dbraw/zinc/95/20/37/598952037.db2.gz XFKFDZPJPWSSSY-RHSMWYFYSA-N 1 1 388.541 2.431 20 0 GEADMO c1cc2c(s1)CC[N@H+](CCNc1c3ccccc3nnc1-c1nn[nH]n1)C2 ZINC000738436954 598962960 /nfs/dbraw/zinc/96/29/60/598962960.db2.gz LRQNLUHAMSNIIS-UHFFFAOYSA-N 1 1 378.465 2.342 20 0 GEADMO COc1ccccc1OCC[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000737152052 598983676 /nfs/dbraw/zinc/98/36/76/598983676.db2.gz LLSYINRGRFPNDX-UHFFFAOYSA-N 1 1 399.451 2.274 20 0 GEADMO CC[NH+]1CCN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736572622 599018291 /nfs/dbraw/zinc/01/82/91/599018291.db2.gz YZKGCNRYTFOUEF-UHFFFAOYSA-N 1 1 392.463 2.223 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736848844 599024064 /nfs/dbraw/zinc/02/40/64/599024064.db2.gz NZPBJMCJDIFFHV-MRXNPFEDSA-N 1 1 392.463 2.127 20 0 GEADMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736146645 599047379 /nfs/dbraw/zinc/04/73/79/599047379.db2.gz JNVMNGHLQKQXQG-OAHLLOKOSA-N 1 1 380.452 2.078 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000737738686 599069348 /nfs/dbraw/zinc/06/93/48/599069348.db2.gz HDQVSNUDUSLTRR-LJQANCHMSA-N 1 1 392.463 2.074 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000735736679 599079224 /nfs/dbraw/zinc/07/92/24/599079224.db2.gz YOZWTGFDRQJMEG-DAYGRLMNSA-N 1 1 386.500 2.211 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737500625 599103666 /nfs/dbraw/zinc/10/36/66/599103666.db2.gz QKHJCXSKCIRETD-GOSISDBHSA-N 1 1 397.483 2.372 20 0 GEADMO Cc1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822510859 599108596 /nfs/dbraw/zinc/10/85/96/599108596.db2.gz XTZWBSSIRAXNRU-KRWDZBQOSA-N 1 1 378.484 2.232 20 0 GEADMO CCc1cc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)n1 ZINC000736674648 599120688 /nfs/dbraw/zinc/12/06/88/599120688.db2.gz FGOAUPIWVXPTGG-UHFFFAOYSA-N 1 1 378.484 2.240 20 0 GEADMO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000737410395 599122948 /nfs/dbraw/zinc/12/29/48/599122948.db2.gz SMLAMODONNCDQV-GASCZTMLSA-N 1 1 381.484 2.056 20 0 GEADMO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736815838 599131317 /nfs/dbraw/zinc/13/13/17/599131317.db2.gz ZHOFKZWIBHUFAR-INIZCTEOSA-N 1 1 382.399 2.463 20 0 GEADMO C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736815838 599131318 /nfs/dbraw/zinc/13/13/18/599131318.db2.gz ZHOFKZWIBHUFAR-INIZCTEOSA-N 1 1 382.399 2.463 20 0 GEADMO Cc1ccccc1[C@H](O)C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737424335 599131324 /nfs/dbraw/zinc/13/13/24/599131324.db2.gz XFUGGDRAHOJTCY-HXUWFJFHSA-N 1 1 378.480 2.421 20 0 GEADMO CCCCC[N@@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C(C)C ZINC000736452898 599168847 /nfs/dbraw/zinc/16/88/47/599168847.db2.gz XYNKJYGSWHQICK-UHFFFAOYSA-N 1 1 399.499 2.489 20 0 GEADMO CCCCC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)C ZINC000736452902 599168978 /nfs/dbraw/zinc/16/89/78/599168978.db2.gz YCGVOYQLWVFTGW-FQEVSTJZSA-N 1 1 399.499 2.492 20 0 GEADMO COc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045217 599208665 /nfs/dbraw/zinc/20/86/65/599208665.db2.gz GOJVOAFRCCRDQQ-SFHVURJKSA-N 1 1 395.463 2.411 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291198 599225734 /nfs/dbraw/zinc/22/57/34/599225734.db2.gz FGURWYMZUXBJOX-WMLDXEAASA-N 1 1 386.525 2.185 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000735549569 599234119 /nfs/dbraw/zinc/23/41/19/599234119.db2.gz ASJXFMQHVSKNNH-LLVKDONJSA-N 1 1 378.864 2.348 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1CCCOC(C)(C)C1 ZINC000735549569 599234120 /nfs/dbraw/zinc/23/41/20/599234120.db2.gz ASJXFMQHVSKNNH-LLVKDONJSA-N 1 1 378.864 2.348 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736791868 599251112 /nfs/dbraw/zinc/25/11/12/599251112.db2.gz ISVFERURMYZNNJ-QGZVFWFLSA-N 1 1 388.541 2.433 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCc3nnc4ccccn43)c2c1 ZINC000737248862 599259354 /nfs/dbraw/zinc/25/93/54/599259354.db2.gz NLMRWLPIAVJVDV-UHFFFAOYSA-N 1 1 385.435 2.151 20 0 GEADMO COc1ccc(CNc2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1nn[nH]n1 ZINC000821821801 607309207 /nfs/dbraw/zinc/30/92/07/607309207.db2.gz XQKQNAJGRQEXSE-UHFFFAOYSA-N 1 1 393.495 2.235 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](CO)Cc3ccco3)c2c1 ZINC000737249258 599264508 /nfs/dbraw/zinc/26/45/08/599264508.db2.gz VBUAYDADMQVOCK-AWEZNQCLSA-N 1 1 378.436 2.310 20 0 GEADMO Cc1cccc(NCCNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)[nH+]1 ZINC000737398517 599281246 /nfs/dbraw/zinc/28/12/46/599281246.db2.gz BBEAWWWUQNNWLL-UHFFFAOYSA-N 1 1 395.467 2.348 20 0 GEADMO Fc1cccc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1-c1nn[nH]n1 ZINC000822791587 607328897 /nfs/dbraw/zinc/32/88/97/607328897.db2.gz JPLUFCWDHDTRKR-UHFFFAOYSA-N 1 1 397.458 2.130 20 0 GEADMO COc1ccc(OCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737112718 598235687 /nfs/dbraw/zinc/23/56/87/598235687.db2.gz ZDSWPOLHMIVAJH-UHFFFAOYSA-N 1 1 398.442 2.215 20 0 GEADMO Fc1ccc(N2CC[NH+](CCNc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737660293 598238911 /nfs/dbraw/zinc/23/89/11/598238911.db2.gz QDLPAJVXVMCCQG-UHFFFAOYSA-N 1 1 385.422 2.379 20 0 GEADMO C[C@H](O)C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736146581 598245028 /nfs/dbraw/zinc/24/50/28/598245028.db2.gz IJWMIHNUAICBLC-LBPRGKRZSA-N 1 1 378.502 2.272 20 0 GEADMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737148949 598247447 /nfs/dbraw/zinc/24/74/47/598247447.db2.gz CMDLSNCQCFJNTD-UHFFFAOYSA-N 1 1 386.481 2.440 20 0 GEADMO COc1ccccc1CC[N@@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737150316 598247766 /nfs/dbraw/zinc/24/77/66/598247766.db2.gz NTUFVTDHSYINGY-GOSISDBHSA-N 1 1 392.463 2.155 20 0 GEADMO CCCCCCNC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736447945 598249115 /nfs/dbraw/zinc/24/91/15/598249115.db2.gz VPXXIPDEKAAHMJ-UHFFFAOYSA-N 1 1 386.500 2.406 20 0 GEADMO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)NC(C1CC1)C1CC1 ZINC000737875352 598249663 /nfs/dbraw/zinc/24/96/63/598249663.db2.gz JVLNLODOKHGKNC-UHFFFAOYSA-N 1 1 396.495 2.015 20 0 GEADMO COc1c(C)cc(C[N@@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737025299 598258137 /nfs/dbraw/zinc/25/81/37/598258137.db2.gz YIYUGDNGMASOGB-SFHVURJKSA-N 1 1 397.479 2.364 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738385976 598312651 /nfs/dbraw/zinc/31/26/51/598312651.db2.gz KCHXRZRGKFDNEK-AZUAARDMSA-N 1 1 395.463 2.070 20 0 GEADMO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738408698 598321410 /nfs/dbraw/zinc/32/14/10/598321410.db2.gz ODDPJJBZCDTYQJ-NWDGAFQWSA-N 1 1 377.905 2.433 20 0 GEADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735618383 598327894 /nfs/dbraw/zinc/32/78/94/598327894.db2.gz LWQNNAPGWFZDIM-UHFFFAOYSA-N 1 1 375.452 2.022 20 0 GEADMO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccc(F)cc3-c3nn[nH]n3)C2)nn1 ZINC000737352092 598341605 /nfs/dbraw/zinc/34/16/05/598341605.db2.gz OKBJQLOMHWVJIP-INIZCTEOSA-N 1 1 382.447 2.205 20 0 GEADMO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000735951951 598348479 /nfs/dbraw/zinc/34/84/79/598348479.db2.gz AGXWULXCSDIXGW-CQSZACIVSA-N 1 1 382.472 2.252 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145932 598363768 /nfs/dbraw/zinc/36/37/68/598363768.db2.gz DSZPYLHLRMOBJE-IAGOWNOFSA-N 1 1 392.507 2.421 20 0 GEADMO C[C@@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145932 598363769 /nfs/dbraw/zinc/36/37/69/598363769.db2.gz DSZPYLHLRMOBJE-IAGOWNOFSA-N 1 1 392.507 2.421 20 0 GEADMO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145932 598363770 /nfs/dbraw/zinc/36/37/70/598363770.db2.gz DSZPYLHLRMOBJE-IAGOWNOFSA-N 1 1 392.507 2.421 20 0 GEADMO Cc1csc(N2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC000737452869 598365191 /nfs/dbraw/zinc/36/51/91/598365191.db2.gz PAVFIXLPEDXBDY-AWEZNQCLSA-N 1 1 385.497 2.221 20 0 GEADMO CC(C)n1ccnc1CN1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735964617 598365924 /nfs/dbraw/zinc/36/59/24/598365924.db2.gz BARMLYGAEDWYEY-UHFFFAOYSA-N 1 1 398.490 2.491 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(SC[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000737242012 598369604 /nfs/dbraw/zinc/36/96/04/598369604.db2.gz ULBYIPIOOMUMAP-INIZCTEOSA-N 1 1 384.509 2.464 20 0 GEADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCCC1 ZINC000736144123 598376733 /nfs/dbraw/zinc/37/67/33/598376733.db2.gz NQRYDRDSEFCQTF-GFCCVEGCSA-N 1 1 392.891 2.474 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736861063 598427659 /nfs/dbraw/zinc/42/76/59/598427659.db2.gz XYDNXUCYQQKNJU-HNNXBMFYSA-N 1 1 375.908 2.126 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736861064 598427663 /nfs/dbraw/zinc/42/76/63/598427663.db2.gz XYDNXUCYQQKNJU-OAHLLOKOSA-N 1 1 375.908 2.126 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000736321882 598428762 /nfs/dbraw/zinc/42/87/62/598428762.db2.gz GHNITSBYOZNSRJ-AWEZNQCLSA-N 1 1 391.545 2.129 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738050619 598478611 /nfs/dbraw/zinc/47/86/11/598478611.db2.gz SRARGVRITFFESG-HNNXBMFYSA-N 1 1 381.484 2.025 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738035839 598478981 /nfs/dbraw/zinc/47/89/81/598478981.db2.gz NAGRJYNZXVNJEG-MSOLQXFVSA-N 1 1 381.484 2.168 20 0 GEADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736201062 598505644 /nfs/dbraw/zinc/50/56/44/598505644.db2.gz GJFBUPZUQOYMNV-INIZCTEOSA-N 1 1 394.479 2.397 20 0 GEADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736201062 598505646 /nfs/dbraw/zinc/50/56/46/598505646.db2.gz GJFBUPZUQOYMNV-INIZCTEOSA-N 1 1 394.479 2.397 20 0 GEADMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146650 598526276 /nfs/dbraw/zinc/52/62/76/598526276.db2.gz IOYPOLWGMOIGBB-APWZRJJASA-N 1 1 395.463 2.452 20 0 GEADMO Cc1cc(N2CCC[C@@H](OC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272924 598543998 /nfs/dbraw/zinc/54/39/98/598543998.db2.gz WBSHEVUSLZTMOI-QGZVFWFLSA-N 1 1 393.451 2.028 20 0 GEADMO C[C@@H](CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)[N@@H+](C)C1CC1 ZINC000736026046 598549640 /nfs/dbraw/zinc/54/96/40/598549640.db2.gz MMWBXJOJMBKRKU-ZDUSSCGKSA-N 1 1 396.451 2.251 20 0 GEADMO O=C(COc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737925873 598570046 /nfs/dbraw/zinc/57/00/46/598570046.db2.gz ZSLVMIRYSZZMRF-SFHVURJKSA-N 1 1 398.511 2.406 20 0 GEADMO CC[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000736542951 598614316 /nfs/dbraw/zinc/61/43/16/598614316.db2.gz XETLCYWEFBUOFV-UHFFFAOYSA-N 1 1 394.479 2.469 20 0 GEADMO C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736829593 598621708 /nfs/dbraw/zinc/62/17/08/598621708.db2.gz HNBYOSNNHBWQHS-GOSISDBHSA-N 1 1 387.447 2.357 20 0 GEADMO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000737279271 598627564 /nfs/dbraw/zinc/62/75/64/598627564.db2.gz IMALDTHOBUPYHG-ZDUSSCGKSA-N 1 1 379.424 2.253 20 0 GEADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736514143 598678216 /nfs/dbraw/zinc/67/82/16/598678216.db2.gz VKQKGJMFEAEVDV-UHFFFAOYSA-N 1 1 384.415 2.475 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736514143 598678218 /nfs/dbraw/zinc/67/82/18/598678218.db2.gz VKQKGJMFEAEVDV-UHFFFAOYSA-N 1 1 384.415 2.475 20 0 GEADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856473 598692778 /nfs/dbraw/zinc/69/27/78/598692778.db2.gz HPIGLAZUPYOOCA-UHFFFAOYSA-N 1 1 394.479 2.402 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736020672 598704380 /nfs/dbraw/zinc/70/43/80/598704380.db2.gz TXGVPKVHPYSOIF-CYBMUJFWSA-N 1 1 385.472 2.464 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737194091 598707891 /nfs/dbraw/zinc/70/78/91/598707891.db2.gz AMVMQMAUDUNGRU-MRXNPFEDSA-N 1 1 391.479 2.012 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736568341 598732597 /nfs/dbraw/zinc/73/25/97/598732597.db2.gz AKTJOBUEGNDFPB-GOSISDBHSA-N 1 1 383.500 2.415 20 0 GEADMO CCS[C@H]1CCCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736666324 598749227 /nfs/dbraw/zinc/74/92/27/598749227.db2.gz RISSQLDDBGIHJH-WBVHZDCISA-N 1 1 377.514 2.214 20 0 GEADMO S=C1SCCN1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738406861 598756505 /nfs/dbraw/zinc/75/65/05/598756505.db2.gz DMHICPIGVYXWBQ-UHFFFAOYSA-N 1 1 376.511 2.001 20 0 GEADMO COCC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736974135 598777236 /nfs/dbraw/zinc/77/72/36/598777236.db2.gz XKIIYUAXDFRURC-LLVKDONJSA-N 1 1 390.513 2.102 20 0 GEADMO CCc1cc(N2CCC[C@H](Nc3[nH+]c(C)cc(C)c3-c3nn[nH]n3)C2)ncn1 ZINC000736674716 598785147 /nfs/dbraw/zinc/78/51/47/598785147.db2.gz GPSVYVSRVNFBKW-HNNXBMFYSA-N 1 1 379.472 2.312 20 0 GEADMO Cc1nc(CN2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)oc1C ZINC000737477739 598810002 /nfs/dbraw/zinc/81/00/02/598810002.db2.gz NXBYGYCSOGSMNA-UHFFFAOYSA-N 1 1 392.467 2.042 20 0 GEADMO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)c1ccc(-c3nn[nH]n3)cc1)C[C@@H]2O ZINC000737109625 599310414 /nfs/dbraw/zinc/31/04/14/599310414.db2.gz KHFKMOGWJHYHGO-LRDDRELGSA-N 1 1 381.436 2.494 20 0 GEADMO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)c1ccc(-c3nn[nH]n3)cc1)C[C@@H]2O ZINC000737109625 599310416 /nfs/dbraw/zinc/31/04/16/599310416.db2.gz KHFKMOGWJHYHGO-LRDDRELGSA-N 1 1 381.436 2.494 20 0 GEADMO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736710318 599316121 /nfs/dbraw/zinc/31/61/21/599316121.db2.gz HWQXSTDHXATLDS-KGLIPLIRSA-N 1 1 382.472 2.252 20 0 GEADMO CC[C@H]1CN(CCn2cccn2)CC[N@H+]1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407706 599317204 /nfs/dbraw/zinc/31/72/04/599317204.db2.gz QBTPRPJDPMXWAN-APWZRJJASA-N 1 1 380.500 2.221 20 0 GEADMO CC[C@H]1C[N@H+](CCn2cccn2)CCN1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407706 599317206 /nfs/dbraw/zinc/31/72/06/599317206.db2.gz QBTPRPJDPMXWAN-APWZRJJASA-N 1 1 380.500 2.221 20 0 GEADMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736407706 599317208 /nfs/dbraw/zinc/31/72/08/599317208.db2.gz QBTPRPJDPMXWAN-APWZRJJASA-N 1 1 380.500 2.221 20 0 GEADMO O[C@H]1CCC[C@H]1CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000738390190 599324735 /nfs/dbraw/zinc/32/47/35/599324735.db2.gz QAORAOXUHIADEF-XPTSAGLGSA-N 1 1 376.367 2.011 20 0 GEADMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000736199924 599337922 /nfs/dbraw/zinc/33/79/22/599337922.db2.gz 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CCn1ccnc1C[N@H+]1CCCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736721966 599429353 /nfs/dbraw/zinc/42/93/53/599429353.db2.gz HTNBPWPRBVBSIC-UHFFFAOYSA-N 1 1 386.891 2.449 20 0 GEADMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1OC ZINC000821795142 599465778 /nfs/dbraw/zinc/46/57/78/599465778.db2.gz UVGBMEDNCXVHLO-UHFFFAOYSA-N 1 1 398.442 2.345 20 0 GEADMO Fc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000822779245 599468407 /nfs/dbraw/zinc/46/84/07/599468407.db2.gz SCNAGNPYWSMUDP-UHFFFAOYSA-N 1 1 396.426 2.099 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000738405515 599491640 /nfs/dbraw/zinc/49/16/40/599491640.db2.gz QXRIIYBWYDLERG-UHFFFAOYSA-N 1 1 389.448 2.323 20 0 GEADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000736798612 599535301 /nfs/dbraw/zinc/53/53/01/599535301.db2.gz BKKVBROMAZPMKJ-UHFFFAOYSA-N 1 1 399.449 2.403 20 0 GEADMO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000736988513 599577746 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ZINC000826150877 608478312 /nfs/dbraw/zinc/47/83/12/608478312.db2.gz NSRZJLUQYIBLEC-CQSZACIVSA-N 1 1 386.481 2.461 20 0 GEADMO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826389798 608501348 /nfs/dbraw/zinc/50/13/48/608501348.db2.gz IUVKCNLILMKYJE-LJQANCHMSA-N 1 1 392.463 2.286 20 0 GEADMO NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826389798 608501349 /nfs/dbraw/zinc/50/13/49/608501349.db2.gz IUVKCNLILMKYJE-LJQANCHMSA-N 1 1 392.463 2.286 20 0 GEADMO c1[nH]nc2cc(CN3CCC[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc12 ZINC000826514043 608507959 /nfs/dbraw/zinc/50/79/59/608507959.db2.gz FNEBPFDBDOEEDZ-UHFFFAOYSA-N 1 1 388.479 2.451 20 0 GEADMO c1[nH]nc2cc(C[N@H+]3CCCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc12 ZINC000826514043 608507961 /nfs/dbraw/zinc/50/79/61/608507961.db2.gz FNEBPFDBDOEEDZ-UHFFFAOYSA-N 1 1 388.479 2.451 20 0 GEADMO c1[nH]nc2cc(C[N@@H+]3CCCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc12 ZINC000826514043 608507963 /nfs/dbraw/zinc/50/79/63/608507963.db2.gz FNEBPFDBDOEEDZ-UHFFFAOYSA-N 1 1 388.479 2.451 20 0 GEADMO CN(C)c1ncc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825883458 608508482 /nfs/dbraw/zinc/50/84/82/608508482.db2.gz HGNCIAYVITWLRT-UHFFFAOYSA-N 1 1 398.540 2.097 20 0 GEADMO c1csc(-c2n[nH]cc2C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000826526326 608510312 /nfs/dbraw/zinc/51/03/12/608510312.db2.gz UMCJHHLLNMEWFV-UHFFFAOYSA-N 1 1 393.480 2.036 20 0 GEADMO c1cc2c(ncnc2N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)s1 ZINC000826527023 608514025 /nfs/dbraw/zinc/51/40/25/608514025.db2.gz WGFLGFHKYJPMCO-UHFFFAOYSA-N 1 1 384.494 2.255 20 0 GEADMO O=S(=O)(CC[NH2+]C1(c2cccc(F)c2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485208 608537269 /nfs/dbraw/zinc/53/72/69/608537269.db2.gz GYNBGLMZYHBVIY-UHFFFAOYSA-N 1 1 387.440 2.058 20 0 GEADMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000825879056 608584709 /nfs/dbraw/zinc/58/47/09/608584709.db2.gz GJQHVALUDQTCMC-UHFFFAOYSA-N 1 1 378.484 2.040 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826453699 608591307 /nfs/dbraw/zinc/59/13/07/608591307.db2.gz VZCKNUGYQOIPOI-UHFFFAOYSA-N 1 1 387.831 2.359 20 0 GEADMO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000824136380 608593723 /nfs/dbraw/zinc/59/37/23/608593723.db2.gz OTQVBKYVLYFCQG-UHFFFAOYSA-N 1 1 384.463 2.349 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000825962073 608614927 /nfs/dbraw/zinc/61/49/27/608614927.db2.gz RCTHOCGAVDAFMO-NSHDSACASA-N 1 1 397.357 2.350 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000825962073 608614930 /nfs/dbraw/zinc/61/49/30/608614930.db2.gz RCTHOCGAVDAFMO-NSHDSACASA-N 1 1 397.357 2.350 20 0 GEADMO CC(C)(C)OC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824100862 608676353 /nfs/dbraw/zinc/67/63/53/608676353.db2.gz ZGLOLDZHNLJNPR-UHFFFAOYSA-N 1 1 383.456 2.068 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000826523717 608725995 /nfs/dbraw/zinc/72/59/95/608725995.db2.gz VLUVBCXUTMMPHV-OAQYLSRUSA-N 1 1 387.447 2.188 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000826523717 608726000 /nfs/dbraw/zinc/72/60/00/608726000.db2.gz VLUVBCXUTMMPHV-OAQYLSRUSA-N 1 1 387.447 2.188 20 0 GEADMO CCN1CC[NH+](Cc2ccccc2CNc2cnccc2-c2nn[nH]n2)CC1 ZINC000825459096 608770884 /nfs/dbraw/zinc/77/08/84/608770884.db2.gz HXNFGIJFWVYYDI-UHFFFAOYSA-N 1 1 378.484 2.011 20 0 GEADMO C/C(=C/c1ccccc1)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000823943086 608837242 /nfs/dbraw/zinc/83/72/42/608837242.db2.gz MRWVGNDQPPDJSA-RTYFKUQISA-N 1 1 376.468 2.271 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000826358019 608848074 /nfs/dbraw/zinc/84/80/74/608848074.db2.gz AJOBFMCWWVKOMG-SFHVURJKSA-N 1 1 392.463 2.125 20 0 GEADMO COCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826162641 608853885 /nfs/dbraw/zinc/85/38/85/608853885.db2.gz LQQUJYKFWULVNR-FQEVSTJZSA-N 1 1 395.463 2.465 20 0 GEADMO COCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826162641 608853888 /nfs/dbraw/zinc/85/38/88/608853888.db2.gz LQQUJYKFWULVNR-FQEVSTJZSA-N 1 1 395.463 2.465 20 0 GEADMO CC(C)[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[NH+](C)C ZINC000446393060 649979398 /nfs/dbraw/zinc/97/93/98/649979398.db2.gz HUZVXXKOMPPFKM-AWEZNQCLSA-N 1 1 380.432 2.311 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936021 609231083 /nfs/dbraw/zinc/23/10/83/609231083.db2.gz DMNDCHOPMNYCNA-JTDSTZFVSA-N 1 1 398.511 2.013 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCOCC3)o2)c1 ZINC000826512918 609284225 /nfs/dbraw/zinc/28/42/25/609284225.db2.gz TXZUITWDMSBMCB-INIZCTEOSA-N 1 1 381.440 2.308 20 0 GEADMO C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824480098 609284778 /nfs/dbraw/zinc/28/47/78/609284778.db2.gz SVKMAHBVLBLAFU-ZBFHGGJFSA-N 1 1 384.484 2.015 20 0 GEADMO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000824319695 609315516 /nfs/dbraw/zinc/31/55/16/609315516.db2.gz YVMXUEGGISIRIK-ZDUSSCGKSA-N 1 1 385.472 2.426 20 0 GEADMO CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000823967838 609358457 /nfs/dbraw/zinc/35/84/57/609358457.db2.gz QOTANLVKTZBEDY-UHFFFAOYSA-N 1 1 393.289 2.072 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825390427 609364197 /nfs/dbraw/zinc/36/41/97/609364197.db2.gz DQZPOKNDIFYHDX-GFCCVEGCSA-N 1 1 379.306 2.403 20 0 GEADMO CC(C)[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCO1 ZINC000824222774 609374770 /nfs/dbraw/zinc/37/47/70/609374770.db2.gz BAHBBTJABXMUPT-CYBMUJFWSA-N 1 1 390.513 2.102 20 0 GEADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC000826508959 609381734 /nfs/dbraw/zinc/38/17/34/609381734.db2.gz HQUNFPZPOUJPPA-LJQANCHMSA-N 1 1 396.470 2.252 20 0 GEADMO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826493222 609411070 /nfs/dbraw/zinc/41/10/70/609411070.db2.gz ZSOSCWJSFGBMFE-GOSISDBHSA-N 1 1 398.492 2.273 20 0 GEADMO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826493222 609411071 /nfs/dbraw/zinc/41/10/71/609411071.db2.gz ZSOSCWJSFGBMFE-GOSISDBHSA-N 1 1 398.492 2.273 20 0 GEADMO C[C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824477979 609455905 /nfs/dbraw/zinc/45/59/05/609455905.db2.gz DQPIBOMCZUJGPZ-UZLBHIALSA-N 1 1 390.491 2.436 20 0 GEADMO CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(OC)c1 ZINC000825395616 609504322 /nfs/dbraw/zinc/50/43/22/609504322.db2.gz SOOQQSRZQCMDKX-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(OC)c1 ZINC000825395616 609504324 /nfs/dbraw/zinc/50/43/24/609504324.db2.gz SOOQQSRZQCMDKX-UHFFFAOYSA-N 1 1 396.451 2.345 20 0 GEADMO COCC[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccco1 ZINC000826154246 609514547 /nfs/dbraw/zinc/51/45/47/609514547.db2.gz LGXRIAWLHQOVHF-DLBZAZTESA-N 1 1 396.451 2.323 20 0 GEADMO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521416 609595330 /nfs/dbraw/zinc/59/53/30/609595330.db2.gz LIKZEPDZZFJBFN-ULQDDVLXSA-N 1 1 376.468 2.369 20 0 GEADMO O=C1[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476998 609600848 /nfs/dbraw/zinc/60/08/48/609600848.db2.gz SYWZEWNYFZUOQR-QGZVFWFLSA-N 1 1 388.435 2.028 20 0 GEADMO Cc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1S(C)(=O)=O ZINC000446896829 649990161 /nfs/dbraw/zinc/99/01/61/649990161.db2.gz RNSNVYCFPCJWCH-OAHLLOKOSA-N 1 1 381.519 2.351 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000447150007 649999886 /nfs/dbraw/zinc/99/98/86/649999886.db2.gz DBGPBVPQQSBPAA-LBPRGKRZSA-N 1 1 394.313 2.429 20 0 GEADMO CCC[C@H](CCCS(C)(=O)=O)C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000447525560 650007169 /nfs/dbraw/zinc/00/71/69/650007169.db2.gz AOKIXFLXTQWLPP-ZACQAIPSSA-N 1 1 390.615 2.266 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447926891 650010689 /nfs/dbraw/zinc/01/06/89/650010689.db2.gz NNLYIQFBEYKGDZ-GXFFZTMASA-N 1 1 388.249 2.321 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447926891 650010690 /nfs/dbraw/zinc/01/06/90/650010690.db2.gz NNLYIQFBEYKGDZ-GXFFZTMASA-N 1 1 388.249 2.321 20 0 GEADMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000448135187 650013836 /nfs/dbraw/zinc/01/38/36/650013836.db2.gz RNBVWEPJATVFAQ-CABCVRRESA-N 1 1 385.555 2.187 20 0 GEADMO Cc1ccc(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000448956356 650026579 /nfs/dbraw/zinc/02/65/79/650026579.db2.gz ZMSJTGNBOOZTRV-UHFFFAOYSA-N 1 1 382.346 2.396 20 0 GEADMO C[N@H+](CC(=O)N1CCOCC1)Cc1ccnc2c(Br)cccc12 ZINC000449006096 650029462 /nfs/dbraw/zinc/02/94/62/650029462.db2.gz CMXIKPTYIUBSSC-UHFFFAOYSA-N 1 1 378.270 2.288 20 0 GEADMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccnc2c(Br)cccc12 ZINC000449006096 650029463 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C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+](C2CC2)C1 ZINC000453770178 650225100 /nfs/dbraw/zinc/22/51/00/650225100.db2.gz LKKSPUYEDFSYMF-GFCCVEGCSA-N 1 1 380.286 2.330 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+](C2CC2)C1 ZINC000453770180 650225233 /nfs/dbraw/zinc/22/52/33/650225233.db2.gz LKKSPUYEDFSYMF-LBPRGKRZSA-N 1 1 380.286 2.330 20 0 GEADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000453978350 650242551 /nfs/dbraw/zinc/24/25/51/650242551.db2.gz PJPRMCWZPMFQBO-ZDUSSCGKSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000453978350 650242556 /nfs/dbraw/zinc/24/25/56/650242556.db2.gz PJPRMCWZPMFQBO-ZDUSSCGKSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000453996078 650244555 /nfs/dbraw/zinc/24/45/55/650244555.db2.gz MCIXXPSDMQBJHQ-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000454081229 650251040 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GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456215235 650334324 /nfs/dbraw/zinc/33/43/24/650334324.db2.gz SZFAKIJNGUBCTO-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456215235 650334325 /nfs/dbraw/zinc/33/43/25/650334325.db2.gz SZFAKIJNGUBCTO-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000456222432 650334407 /nfs/dbraw/zinc/33/44/07/650334407.db2.gz IAESNQQOXHOGQS-OKILXGFUSA-N 1 1 381.314 2.394 20 0 GEADMO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000456222432 650334411 /nfs/dbraw/zinc/33/44/11/650334411.db2.gz IAESNQQOXHOGQS-OKILXGFUSA-N 1 1 381.314 2.394 20 0 GEADMO CO[C@H](C)CCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456562204 650348419 /nfs/dbraw/zinc/34/84/19/650348419.db2.gz FYNINQWSCVUFFU-GFCCVEGCSA-N 1 1 385.306 2.350 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[C@@](C)(O)C2CC2)CC1 ZINC000456559874 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CN(C)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)ncc1Br ZINC000456686545 650354491 /nfs/dbraw/zinc/35/44/91/650354491.db2.gz ZXTYQBDVYCGYLJ-AWEZNQCLSA-N 1 1 397.317 2.492 20 0 GEADMO COc1ccc(Cl)cc1CS(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000500356057 650375600 /nfs/dbraw/zinc/37/56/00/650375600.db2.gz BBAWBNJLPJEUOI-OKILXGFUSA-N 1 1 390.933 2.267 20 0 GEADMO COc1ccc(Cl)cc1CS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000500356057 650375604 /nfs/dbraw/zinc/37/56/04/650375604.db2.gz BBAWBNJLPJEUOI-OKILXGFUSA-N 1 1 390.933 2.267 20 0 GEADMO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)O1 ZINC000500406924 650376254 /nfs/dbraw/zinc/37/62/54/650376254.db2.gz VYYSPWXQJHONHM-NOZJJQNGSA-N 1 1 377.229 2.453 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2csc(Br)c2)C[C@H](C)[N@@H+]1CCO ZINC000457806737 650384992 /nfs/dbraw/zinc/38/49/92/650384992.db2.gz MSOSJJMMJPXBIX-PHIMTYICSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000501319585 650389797 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CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000502112086 650401110 /nfs/dbraw/zinc/40/11/10/650401110.db2.gz WRRQRWHNCZMRAP-JKSUJKDBSA-N 1 1 382.302 2.227 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000458168897 650398512 /nfs/dbraw/zinc/39/85/12/650398512.db2.gz DUHUMMYIJYDJSX-ZDUSSCGKSA-N 1 1 382.302 2.027 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)NCc1nc2c(cccc2Br)[nH]1 ZINC000458379966 650401678 /nfs/dbraw/zinc/40/16/78/650401678.db2.gz HDXYKULJUBTGNY-UHFFFAOYSA-N 1 1 398.330 2.173 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000458644773 650405979 /nfs/dbraw/zinc/40/59/79/650405979.db2.gz MLACSWJLRUFWME-LBPRGKRZSA-N 1 1 395.301 2.138 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000458644773 650405982 /nfs/dbraw/zinc/40/59/82/650405982.db2.gz MLACSWJLRUFWME-LBPRGKRZSA-N 1 1 395.301 2.138 20 0 GEADMO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458727714 650409478 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C[C@@H]1C[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000514714083 650577398 /nfs/dbraw/zinc/57/73/98/650577398.db2.gz MAZORPLLKRKTKX-NEPJUHHUSA-N 1 1 382.306 2.373 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cc1Cl ZINC000478026013 650581363 /nfs/dbraw/zinc/58/13/63/650581363.db2.gz GAQMVGIICONLDV-UHFFFAOYSA-N 1 1 381.885 2.442 20 0 GEADMO CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)co1 ZINC000478046658 650582029 /nfs/dbraw/zinc/58/20/29/650582029.db2.gz KBCRPZUTQCVJJR-UHFFFAOYSA-N 1 1 385.873 2.497 20 0 GEADMO C[N@H+](C[C@H](O)C[NH+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065761 650585928 /nfs/dbraw/zinc/58/59/28/650585928.db2.gz IKCWEFQRRFMHPZ-HNNXBMFYSA-N 1 1 375.296 2.378 20 0 GEADMO C[N@@H+](C[C@H](O)C[NH+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065761 650585929 /nfs/dbraw/zinc/58/59/29/650585929.db2.gz IKCWEFQRRFMHPZ-HNNXBMFYSA-N 1 1 375.296 2.378 20 0 GEADMO C[NH+](C[C@H](O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065761 650585932 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ZINC000484027261 650684449 /nfs/dbraw/zinc/68/44/49/650684449.db2.gz PSVYDUAKZMUVIV-HIFRSBDPSA-N 1 1 385.302 2.179 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000484973743 650691527 /nfs/dbraw/zinc/69/15/27/650691527.db2.gz ZQQLVDXHUVWQFV-MAZHCROVSA-N 1 1 394.313 2.310 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194493 650694209 /nfs/dbraw/zinc/69/42/09/650694209.db2.gz IAXIUBSAKMFYDX-JSGCOSHPSA-N 1 1 385.917 2.261 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528464792 650694547 /nfs/dbraw/zinc/69/45/47/650694547.db2.gz GBQCFDREFINWDD-MRXNPFEDSA-N 1 1 396.329 2.397 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC000485423027 650696270 /nfs/dbraw/zinc/69/62/70/650696270.db2.gz RNCQJZXNNAQTDM-UHFFFAOYSA-N 1 1 375.828 2.356 20 0 GEADMO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000528554384 650696672 /nfs/dbraw/zinc/69/66/72/650696672.db2.gz UGJMLUHTQIMEHW-WFASDCNBSA-N 1 1 385.555 2.240 20 0 GEADMO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC000528554384 650696673 /nfs/dbraw/zinc/69/66/73/650696673.db2.gz UGJMLUHTQIMEHW-WFASDCNBSA-N 1 1 385.555 2.240 20 0 GEADMO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000529056841 650701071 /nfs/dbraw/zinc/70/10/71/650701071.db2.gz AEMJIPKMXMCSQE-LBPRGKRZSA-N 1 1 383.290 2.286 20 0 GEADMO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CCN3CCOC[C@H]3C2)s1 ZINC000529545060 650703989 /nfs/dbraw/zinc/70/39/89/650703989.db2.gz ZUVYGOURBIQUCM-GFCCVEGCSA-N 1 1 383.315 2.417 20 0 GEADMO Brc1ccc(-c2n[nH]cc2C[N@H+]2CCN3CCOC[C@H]3C2)s1 ZINC000529545060 650703992 /nfs/dbraw/zinc/70/39/92/650703992.db2.gz ZUVYGOURBIQUCM-GFCCVEGCSA-N 1 1 383.315 2.417 20 0 GEADMO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c(F)cc1F ZINC000486207064 650708998 /nfs/dbraw/zinc/70/89/98/650708998.db2.gz YFRMAPOYMKTHQK-GHMZBOCLSA-N 1 1 375.441 2.253 20 0 GEADMO O=C(NC1(c2cccc(Br)c2)CCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000486654538 650717886 /nfs/dbraw/zinc/71/78/86/650717886.db2.gz RQJNLLIQFRJMOB-MRXNPFEDSA-N 1 1 378.314 2.334 20 0 GEADMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@@H]2C1 ZINC000486682236 650718989 /nfs/dbraw/zinc/71/89/89/650718989.db2.gz HSWQWOLLQSPBQF-TVQRCGJNSA-N 1 1 395.269 2.442 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@@H]2C1 ZINC000486682236 650718992 /nfs/dbraw/zinc/71/89/92/650718992.db2.gz HSWQWOLLQSPBQF-TVQRCGJNSA-N 1 1 395.269 2.442 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)[C@@H]2C1 ZINC000486697831 650719360 /nfs/dbraw/zinc/71/93/60/650719360.db2.gz OVHMHGBGFOCXJO-NOZJJQNGSA-N 1 1 395.269 2.442 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)[C@@H]2C1 ZINC000486697831 650719364 /nfs/dbraw/zinc/71/93/64/650719364.db2.gz OVHMHGBGFOCXJO-NOZJJQNGSA-N 1 1 395.269 2.442 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H]1COCC[NH2+]1 ZINC000530246524 650719420 /nfs/dbraw/zinc/71/94/20/650719420.db2.gz IQNXRIHCJJCUCO-OAHLLOKOSA-N 1 1 379.302 2.330 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000487089368 650727450 /nfs/dbraw/zinc/72/74/50/650727450.db2.gz BVNMLSCRJBKYRA-TXEJJXNPSA-N 1 1 398.301 2.256 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000487089368 650727452 /nfs/dbraw/zinc/72/74/52/650727452.db2.gz BVNMLSCRJBKYRA-TXEJJXNPSA-N 1 1 398.301 2.256 20 0 GEADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2sccc2Cl)c1 ZINC000487295703 650732368 /nfs/dbraw/zinc/73/23/68/650732368.db2.gz DOMAKNHGEDJSKC-SNVBAGLBSA-N 1 1 387.914 2.426 20 0 GEADMO Cc1nc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000531194014 650736227 /nfs/dbraw/zinc/73/62/27/650736227.db2.gz ZNSNNEIGRPYGQR-UHFFFAOYSA-N 1 1 381.523 2.071 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000530856896 650729835 /nfs/dbraw/zinc/72/98/35/650729835.db2.gz KVVBVFIRNSJYEG-INIZCTEOSA-N 1 1 381.885 2.020 20 0 GEADMO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000487786388 650737986 /nfs/dbraw/zinc/73/79/86/650737986.db2.gz CDERRMJXLHYTRN-KRWDZBQOSA-N 1 1 396.329 2.066 20 0 GEADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O ZINC000531389023 650738077 /nfs/dbraw/zinc/73/80/77/650738077.db2.gz REWHHEHAHOZTBT-OAHLLOKOSA-N 1 1 393.285 2.197 20 0 GEADMO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000488226448 650742764 /nfs/dbraw/zinc/74/27/64/650742764.db2.gz UZFDFEGZNPCXGJ-AWEZNQCLSA-N 1 1 381.567 2.490 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000008532137 642353088 /nfs/dbraw/zinc/35/30/88/642353088.db2.gz TVESOYILYQUPPA-LBPRGKRZSA-N 1 1 381.885 2.446 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008532137 642353091 /nfs/dbraw/zinc/35/30/91/642353091.db2.gz TVESOYILYQUPPA-LBPRGKRZSA-N 1 1 381.885 2.446 20 0 GEADMO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[N@@H+](C)C1CC1 ZINC000488824708 650751363 /nfs/dbraw/zinc/75/13/63/650751363.db2.gz XXZBPMLFHIQPJF-MEBBXXQBSA-N 1 1 388.281 2.404 20 0 GEADMO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000012141306 642371448 /nfs/dbraw/zinc/37/14/48/642371448.db2.gz NBFIMEDNXGGJQP-UHFFFAOYSA-N 1 1 397.722 2.485 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751652 /nfs/dbraw/zinc/75/16/52/650751652.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 1 1 391.313 2.373 20 0 GEADMO C[NH+](C)CCN(C(=S)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000018164130 642395844 /nfs/dbraw/zinc/39/58/44/642395844.db2.gz VAVLDSKJCMCQPP-LBPRGKRZSA-N 1 1 375.947 2.088 20 0 GEADMO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000532479378 650748531 /nfs/dbraw/zinc/74/85/31/650748531.db2.gz BQJDCORMBWWGIA-XJKSGUPXSA-N 1 1 384.318 2.213 20 0 GEADMO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000532479378 650748536 /nfs/dbraw/zinc/74/85/36/650748536.db2.gz BQJDCORMBWWGIA-XJKSGUPXSA-N 1 1 384.318 2.213 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)NN=c1[nH]c(-c2ccccc2)cs1 ZINC000023105858 642410636 /nfs/dbraw/zinc/41/06/36/642410636.db2.gz FQTOLZQSWXPXQI-UHFFFAOYSA-N 1 1 377.539 2.323 20 0 GEADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000532532669 650749709 /nfs/dbraw/zinc/74/97/09/650749709.db2.gz UOVFRQCZYVAONO-CQSZACIVSA-N 1 1 384.293 2.184 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000488655784 650749983 /nfs/dbraw/zinc/74/99/83/650749983.db2.gz MDKWLPUALFEIJH-UHFFFAOYSA-N 1 1 384.318 2.402 20 0 GEADMO CC[N@@H+](CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C1CC1 ZINC000488655974 650750473 /nfs/dbraw/zinc/75/04/73/650750473.db2.gz KBLVMLVVDVPDCJ-OAHLLOKOSA-N 1 1 388.281 2.405 20 0 GEADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000532610081 650750974 /nfs/dbraw/zinc/75/09/74/650750974.db2.gz CLZUJOFIJRYXGJ-UHFFFAOYSA-N 1 1 389.308 2.379 20 0 GEADMO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000026934169 642438968 /nfs/dbraw/zinc/43/89/68/642438968.db2.gz RTFAOYPXUYBGGA-CYBMUJFWSA-N 1 1 383.286 2.465 20 0 GEADMO Cc1nn2cc(S(=O)(=O)NC[C@@H](c3cccs3)[NH+](C)C)cnc2c1Cl ZINC000532889242 650754407 /nfs/dbraw/zinc/75/44/07/650754407.db2.gz PVVUILDGRUNCNG-LBPRGKRZSA-N 1 1 399.929 2.334 20 0 GEADMO C[NH+](C)Cc1cc(C(=O)N(CCO)Cc2cccc(Br)c2)no1 ZINC000489119675 650755053 /nfs/dbraw/zinc/75/50/53/650755053.db2.gz XQLGVJSKVODNEE-UHFFFAOYSA-N 1 1 382.258 2.133 20 0 GEADMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000028898915 642454872 /nfs/dbraw/zinc/45/48/72/642454872.db2.gz KEJFBSHVRFNPCP-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO COCC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@H]1CCO[C@H]1C ZINC000489448095 650759252 /nfs/dbraw/zinc/75/92/52/650759252.db2.gz JYSHYOXDWZVMSB-QRTARXTBSA-N 1 1 388.302 2.315 20 0 GEADMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000029673046 642466675 /nfs/dbraw/zinc/46/66/75/642466675.db2.gz MYYYSNZADYTNPH-UHFFFAOYSA-N 1 1 387.311 2.076 20 0 GEADMO O=S(=O)(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1Br ZINC000040446194 642524289 /nfs/dbraw/zinc/52/42/89/642524289.db2.gz FLXNMQNECGOADY-CHWSQXEVSA-N 1 1 377.279 2.493 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000041362942 642529504 /nfs/dbraw/zinc/52/95/04/642529504.db2.gz OAAKWAOXJMQMJW-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO CN(C(=O)c1ccc(Br)cc1-n1cncn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533948823 650767654 /nfs/dbraw/zinc/76/76/54/650767654.db2.gz KPMFETOLDBHRTR-CQSZACIVSA-N 1 1 390.285 2.339 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000041892231 642535165 /nfs/dbraw/zinc/53/51/65/642535165.db2.gz GOJUKWPGYXMZMJ-LBPRGKRZSA-N 1 1 380.286 2.297 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000041927474 642536294 /nfs/dbraw/zinc/53/62/94/642536294.db2.gz PDKRIBRPQOWTJD-UHFFFAOYSA-N 1 1 375.922 2.050 20 0 GEADMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C1CCOCC1 ZINC000533344912 650760269 /nfs/dbraw/zinc/76/02/69/650760269.db2.gz JDBZFMWWKZGIEO-UHFFFAOYSA-N 1 1 386.290 2.035 20 0 GEADMO C[N@H+]1CCCN(c2ccc(CNC(=S)NCc3cccs3)cn2)CC1 ZINC000044230101 642571350 /nfs/dbraw/zinc/57/13/50/642571350.db2.gz ILEDTVJFKPCYJW-UHFFFAOYSA-N 1 1 375.567 2.449 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048106485 642644438 /nfs/dbraw/zinc/64/44/38/642644438.db2.gz ZAHZTQVLKVNLDS-OAHLLOKOSA-N 1 1 387.571 2.138 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1I ZINC000048217955 642647154 /nfs/dbraw/zinc/64/71/54/642647154.db2.gz BXEFAPFHYGIVNM-UHFFFAOYSA-N 1 1 394.228 2.128 20 0 GEADMO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000049994689 642674237 /nfs/dbraw/zinc/67/42/37/642674237.db2.gz AIHGFPZTHFJTPZ-GFCCVEGCSA-N 1 1 399.563 2.099 20 0 GEADMO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000049994125 642674373 /nfs/dbraw/zinc/67/43/73/642674373.db2.gz UAUTVHZANJPMTJ-AWEZNQCLSA-N 1 1 395.297 2.460 20 0 GEADMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000050067497 642675654 /nfs/dbraw/zinc/67/56/54/642675654.db2.gz CWIXMMPZAATXRI-UHFFFAOYSA-N 1 1 390.221 2.115 20 0 GEADMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000050067497 642675660 /nfs/dbraw/zinc/67/56/60/642675660.db2.gz CWIXMMPZAATXRI-UHFFFAOYSA-N 1 1 390.221 2.115 20 0 GEADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000490611791 650777248 /nfs/dbraw/zinc/77/72/48/650777248.db2.gz SUKYZIDDSUYXCG-YOEHRIQHSA-N 1 1 384.307 2.363 20 0 GEADMO CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000534588696 650778206 /nfs/dbraw/zinc/77/82/06/650778206.db2.gz STOZLXYRMLVWPM-BBRMVZONSA-N 1 1 381.929 2.341 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](CCO)CC1 ZINC000052636048 642724018 /nfs/dbraw/zinc/72/40/18/642724018.db2.gz ZAHFKFBQEAYMJT-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO CN1CC[NH+](CCCNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000534648043 650779368 /nfs/dbraw/zinc/77/93/68/650779368.db2.gz BRBHKAPZNAAUIN-UHFFFAOYSA-N 1 1 391.313 2.365 20 0 GEADMO CC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000054779855 642759225 /nfs/dbraw/zinc/75/92/25/642759225.db2.gz XBIWTEJBODOKCA-UHFFFAOYSA-N 1 1 378.416 2.442 20 0 GEADMO C[C@@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055223316 642771148 /nfs/dbraw/zinc/77/11/48/642771148.db2.gz PWZAMJRPIFTXIF-SDDRHHMPSA-N 1 1 399.285 2.405 20 0 GEADMO C[C@@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055223316 642771162 /nfs/dbraw/zinc/77/11/62/642771162.db2.gz PWZAMJRPIFTXIF-SDDRHHMPSA-N 1 1 399.285 2.405 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000491059420 650782881 /nfs/dbraw/zinc/78/28/81/650782881.db2.gz ZTBADAARZSHXFP-UHFFFAOYSA-N 1 1 382.961 2.216 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2F)cc1Br ZINC000491360000 650785659 /nfs/dbraw/zinc/78/56/59/650785659.db2.gz WOWBYTGPYBYRRV-KGLIPLIRSA-N 1 1 386.265 2.456 20 0 GEADMO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1C ZINC000535759618 650790273 /nfs/dbraw/zinc/79/02/73/650790273.db2.gz MLONJXLNZCJVAF-HNNXBMFYSA-N 1 1 382.555 2.463 20 0 GEADMO Cc1cc(NC(=O)CNC(=O)NCC[N@H+](C)C2CC2)ccc1Br ZINC000492353647 650790669 /nfs/dbraw/zinc/79/06/69/650790669.db2.gz RUBHBRYBZNPWDL-UHFFFAOYSA-N 1 1 383.290 2.089 20 0 GEADMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000535851462 650791627 /nfs/dbraw/zinc/79/16/27/650791627.db2.gz BAHOGXHGTKBNIJ-CYBMUJFWSA-N 1 1 382.302 2.075 20 0 GEADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000063822030 642863051 /nfs/dbraw/zinc/86/30/51/642863051.db2.gz OWIOIWUNNIAKLT-GJZGRUSLSA-N 1 1 387.571 2.186 20 0 GEADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)s1 ZINC000493128424 650792855 /nfs/dbraw/zinc/79/28/55/650792855.db2.gz CCCPDNPXMHVZPK-OAHLLOKOSA-N 1 1 385.555 2.022 20 0 GEADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)s1 ZINC000493128424 650792859 /nfs/dbraw/zinc/79/28/59/650792859.db2.gz CCCPDNPXMHVZPK-OAHLLOKOSA-N 1 1 385.555 2.022 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)NCCc1cc(Br)ccc1F 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2.161 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417730123 648259669 /nfs/dbraw/zinc/25/96/69/648259669.db2.gz CWEPMAACEUNPGF-UHFFFAOYSA-N 1 1 376.713 2.026 20 0 GEADMO C[C@]1(C[NH3+])CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417731340 648259779 /nfs/dbraw/zinc/25/97/79/648259779.db2.gz ORLQLLWXMVKFKY-MRXNPFEDSA-N 1 1 393.289 2.115 20 0 GEADMO C[C@]1(C[NH3+])CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417731340 648259781 /nfs/dbraw/zinc/25/97/81/648259781.db2.gz ORLQLLWXMVKFKY-MRXNPFEDSA-N 1 1 393.289 2.115 20 0 GEADMO C[C@@H](CCC[NH3+])NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417736225 648260228 /nfs/dbraw/zinc/26/02/28/648260228.db2.gz TYFAIWLRXYKWAP-JTQLQIEISA-N 1 1 381.278 2.161 20 0 GEADMO C[C@@H](CCC[NH3+])NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417736225 648260234 /nfs/dbraw/zinc/26/02/34/648260234.db2.gz TYFAIWLRXYKWAP-JTQLQIEISA-N 1 1 381.278 2.161 20 0 GEADMO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000417780726 648261904 /nfs/dbraw/zinc/26/19/04/648261904.db2.gz VYTVSYWVQPRZND-NSHDSACASA-N 1 1 376.213 2.388 20 0 GEADMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000417780726 648261908 /nfs/dbraw/zinc/26/19/08/648261908.db2.gz VYTVSYWVQPRZND-NSHDSACASA-N 1 1 376.213 2.388 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(F)cc1I ZINC000417907563 648266166 /nfs/dbraw/zinc/26/61/66/648266166.db2.gz BTPUNPCLGYTPRQ-VIFPVBQESA-N 1 1 385.242 2.343 20 0 GEADMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1I ZINC000418015294 648270001 /nfs/dbraw/zinc/27/00/01/648270001.db2.gz YXQCTLCJURPUOC-CQSZACIVSA-N 1 1 395.212 2.488 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2I)[C@@H](C)C1 ZINC000418036910 648272923 /nfs/dbraw/zinc/27/29/23/648272923.db2.gz WXPASIOMPZTKAX-RYUDHWBXSA-N 1 1 392.256 2.317 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418084800 648276783 /nfs/dbraw/zinc/27/67/83/648276783.db2.gz WJBXHXKNYOFINK-NSHDSACASA-N 1 1 395.237 2.382 20 0 GEADMO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc(Br)c1O ZINC000418108342 648281059 /nfs/dbraw/zinc/28/10/59/648281059.db2.gz FYKVMYHSWGVHJO-CHWSQXEVSA-N 1 1 387.318 2.440 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1I ZINC000418117408 648281944 /nfs/dbraw/zinc/28/19/44/648281944.db2.gz RPNIOBHBEPCKBV-RYUDHWBXSA-N 1 1 392.256 2.317 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc(Br)c(OC(C)(C)C)n1 ZINC000419007216 648327224 /nfs/dbraw/zinc/32/72/24/648327224.db2.gz UCQCKBUUKYWXAF-NWDGAFQWSA-N 1 1 387.322 2.308 20 0 GEADMO NC(=O)[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Br)cc1F ZINC000419223066 648342232 /nfs/dbraw/zinc/34/22/32/648342232.db2.gz CEYSDYIPSIYSDD-ZDUSSCGKSA-N 1 1 377.229 2.471 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419328723 648347835 /nfs/dbraw/zinc/34/78/35/648347835.db2.gz DXEIQKQAAHWDJX-KGLIPLIRSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)CN1CCO ZINC000419330891 648347895 /nfs/dbraw/zinc/34/78/95/648347895.db2.gz RCPTXAACJNJVIK-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419330891 648347900 /nfs/dbraw/zinc/34/79/00/648347900.db2.gz RCPTXAACJNJVIK-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[N@H+]1CCO ZINC000419330891 648347901 /nfs/dbraw/zinc/34/79/01/648347901.db2.gz RCPTXAACJNJVIK-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328437 648347908 /nfs/dbraw/zinc/34/79/08/648347908.db2.gz OUSIGXTXRFLKDD-CHWSQXEVSA-N 1 1 385.302 2.107 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000419335386 648348400 /nfs/dbraw/zinc/34/84/00/648348400.db2.gz WDIIPKRGYFAYAC-UMVBOHGHSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@H](C)CN1CCO ZINC000419335386 648348405 /nfs/dbraw/zinc/34/84/05/648348405.db2.gz WDIIPKRGYFAYAC-UMVBOHGHSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@H](C)CN1CCO ZINC000419335386 648348408 /nfs/dbraw/zinc/34/84/08/648348408.db2.gz WDIIPKRGYFAYAC-UMVBOHGHSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCCO2 ZINC000419347131 648349536 /nfs/dbraw/zinc/34/95/36/648349536.db2.gz WINYDINSICHFJX-UONOGXRCSA-N 1 1 399.329 2.497 20 0 GEADMO Cc1cc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419505785 648354934 /nfs/dbraw/zinc/35/49/34/648354934.db2.gz KYBWPLRARUISLH-KGLIPLIRSA-N 1 1 384.318 2.354 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000419512154 648355241 /nfs/dbraw/zinc/35/52/41/648355241.db2.gz ZGTGUQRZBPJABG-KBPBESRZSA-N 1 1 384.318 2.354 20 0 GEADMO [NH3+]CC1(O)CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000420400261 648415878 /nfs/dbraw/zinc/41/58/78/648415878.db2.gz DMEYIZIDQKHKMS-INIZCTEOSA-N 1 1 386.323 2.443 20 0 GEADMO [NH3+]CC1(O)CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000420400263 648415898 /nfs/dbraw/zinc/41/58/98/648415898.db2.gz DMEYIZIDQKHKMS-MRXNPFEDSA-N 1 1 386.323 2.443 20 0 GEADMO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(Br)c1 ZINC000420740284 648446726 /nfs/dbraw/zinc/44/67/26/648446726.db2.gz QYAVDVMEIZHJQE-NSHDSACASA-N 1 1 377.304 2.172 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(I)cc1 ZINC000420741141 648447358 /nfs/dbraw/zinc/44/73/58/648447358.db2.gz SBMCBFYNMUENER-LBPRGKRZSA-N 1 1 394.278 2.006 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(F)c1Cl ZINC000420773764 648455885 /nfs/dbraw/zinc/45/58/85/648455885.db2.gz XTCJZAFKXRLSIN-JTQLQIEISA-N 1 1 395.859 2.291 20 0 GEADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H]2Cc2ccccc2Br)C1=O ZINC000420957377 648458966 /nfs/dbraw/zinc/45/89/66/648458966.db2.gz BLFYVPXPKBQTSV-OCCSQVGLSA-N 1 1 380.286 2.396 20 0 GEADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977026 648461246 /nfs/dbraw/zinc/46/12/46/648461246.db2.gz RLHJGOGRJIOTRD-AWEZNQCLSA-N 1 1 383.286 2.135 20 0 GEADMO CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420986186 648461779 /nfs/dbraw/zinc/46/17/79/648461779.db2.gz MEKIWMZEUUPQPM-OLZOCXBDSA-N 1 1 391.693 2.053 20 0 GEADMO CSc1cc2c(cc1C[N@H+]1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1)OCCO2 ZINC000421386656 648489385 /nfs/dbraw/zinc/48/93/85/648489385.db2.gz HXSARQQEYBPREY-QWRGUYRKSA-N 1 1 376.400 2.275 20 0 GEADMO CCOc1c(Br)cc(C[N@@H+](C[C@H](O)CO)C(C)C)cc1OC ZINC000421413155 648491038 /nfs/dbraw/zinc/49/10/38/648491038.db2.gz VQWWWIUOEKYNOE-ZDUSSCGKSA-N 1 1 376.291 2.420 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000421709099 648506016 /nfs/dbraw/zinc/50/60/16/648506016.db2.gz CLXGDMXPQKMAED-CYBMUJFWSA-N 1 1 378.274 2.196 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422374617 648540965 /nfs/dbraw/zinc/54/09/65/648540965.db2.gz HWSDYROLUQZFDT-UHFFFAOYSA-N 1 1 384.318 2.222 20 0 GEADMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000423109856 648581023 /nfs/dbraw/zinc/58/10/23/648581023.db2.gz VFUXVICETAEUKA-HIFRSBDPSA-N 1 1 375.485 2.144 20 0 GEADMO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000423132972 648584045 /nfs/dbraw/zinc/58/40/45/648584045.db2.gz JSIPDZRAZFPZIS-GXFFZTMASA-N 1 1 378.274 2.239 20 0 GEADMO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000423132972 648584052 /nfs/dbraw/zinc/58/40/52/648584052.db2.gz JSIPDZRAZFPZIS-GXFFZTMASA-N 1 1 378.274 2.239 20 0 GEADMO CCn1cc(Br)cc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423958220 648605016 /nfs/dbraw/zinc/60/50/16/648605016.db2.gz WHCHIBODCGFCLB-UHFFFAOYSA-N 1 1 383.334 2.217 20 0 GEADMO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000423960056 648605730 /nfs/dbraw/zinc/60/57/30/648605730.db2.gz RVAYFYGYPATBDB-LLVKDONJSA-N 1 1 386.237 2.271 20 0 GEADMO COc1ncc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1Br ZINC000424850279 648653143 /nfs/dbraw/zinc/65/31/43/648653143.db2.gz IZLMCGRUQZDVIS-GFCCVEGCSA-N 1 1 398.301 2.178 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc23)C[C@H](C)[N@H+]1CCO ZINC000424875097 648654512 /nfs/dbraw/zinc/65/45/12/648654512.db2.gz PNUUUCZDUXVKAX-TXEJJXNPSA-N 1 1 396.285 2.046 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc23)C[C@H](C)[N@@H+]1CCO ZINC000424875097 648654525 /nfs/dbraw/zinc/65/45/25/648654525.db2.gz PNUUUCZDUXVKAX-TXEJJXNPSA-N 1 1 396.285 2.046 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000424980957 648659051 /nfs/dbraw/zinc/65/90/51/648659051.db2.gz AEVSZSVBZKSOCY-HNNXBMFYSA-N 1 1 397.313 2.494 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000424995187 648660367 /nfs/dbraw/zinc/66/03/67/648660367.db2.gz APSPGIHLHCIYKG-UHFFFAOYSA-N 1 1 387.322 2.478 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425815724 648698022 /nfs/dbraw/zinc/69/80/22/648698022.db2.gz DRGBJZVOXFSMER-XHDPSFHLSA-N 1 1 398.276 2.388 20 0 GEADMO CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000426151282 648705270 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C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643536198 651489529 /nfs/dbraw/zinc/48/95/29/651489529.db2.gz NVGWMNRXABSDHA-XPTSAGLGSA-N 1 1 378.325 2.434 20 0 GEADMO O=S1(=O)CC[C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2cc(Br)ccc21 ZINC000643535959 651489564 /nfs/dbraw/zinc/48/95/64/651489564.db2.gz QEGNPIVSIDPRNT-UKRRQHHQSA-N 1 1 385.327 2.399 20 0 GEADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ncc(I)s1 ZINC000603426567 651489636 /nfs/dbraw/zinc/48/96/36/651489636.db2.gz GUSAVHFKRKUTSK-MRVPVSSYSA-N 1 1 390.250 2.319 20 0 GEADMO C[C@H](NC(=O)c1ncc(I)s1)C1=CC[N@@H+](C)CC1 ZINC000603427222 651490047 /nfs/dbraw/zinc/49/00/47/651490047.db2.gz BNTAPZYZLARPNM-QMMMGPOBSA-N 1 1 377.251 2.128 20 0 GEADMO Cn1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000563062586 651506244 /nfs/dbraw/zinc/50/62/44/651506244.db2.gz CZISXJFDFGARJA-LRDDRELGSA-N 1 1 386.880 2.184 20 0 GEADMO Cn1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000563062586 651506248 /nfs/dbraw/zinc/50/62/48/651506248.db2.gz CZISXJFDFGARJA-LRDDRELGSA-N 1 1 386.880 2.184 20 0 GEADMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2cc(Br)ccc2C1 ZINC000563097917 651509504 /nfs/dbraw/zinc/50/95/04/651509504.db2.gz IBIPWBSCSOJVRJ-LBPRGKRZSA-N 1 1 375.270 2.448 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727161291 651513794 /nfs/dbraw/zinc/51/37/94/651513794.db2.gz FOKDOMOKUKDLCE-TZMCWYRMSA-N 1 1 376.954 2.024 20 0 GEADMO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Br)c3O)CC2)C1 ZINC000604605169 651518771 /nfs/dbraw/zinc/51/87/71/651518771.db2.gz WEZJQLSVECMKAI-CYBMUJFWSA-N 1 1 382.302 2.007 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Br)c3O)CC2)C1 ZINC000604605169 651518778 /nfs/dbraw/zinc/51/87/78/651518778.db2.gz WEZJQLSVECMKAI-CYBMUJFWSA-N 1 1 382.302 2.007 20 0 GEADMO NC(=O)C[NH+]1CCC(NC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000727484426 651523182 /nfs/dbraw/zinc/52/31/82/651523182.db2.gz KXYOZBCWDYLWTH-UHFFFAOYSA-N 1 1 378.885 2.143 20 0 GEADMO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563417134 651523658 /nfs/dbraw/zinc/52/36/58/651523658.db2.gz IRYOMJDENUTKPT-HNNXBMFYSA-N 1 1 390.908 2.496 20 0 GEADMO CN1CC[NH+](C(C)(C)CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000605047447 651528016 /nfs/dbraw/zinc/52/80/16/651528016.db2.gz KBXZFNCQIMBCBK-UHFFFAOYSA-N 1 1 397.361 2.317 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644297551 651531782 /nfs/dbraw/zinc/53/17/82/651531782.db2.gz AWCXPEVQYGGTJJ-KCQAQPDRSA-N 1 1 388.917 2.078 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000605246226 651533386 /nfs/dbraw/zinc/53/33/86/651533386.db2.gz HVGNBWYAAVDZSC-UHFFFAOYSA-N 1 1 387.933 2.473 20 0 GEADMO O[C@@H](C[NH2+][C@@H]1CCc2[nH]cnc2C1)COc1cc(F)cc(Br)c1 ZINC000563705164 651538733 /nfs/dbraw/zinc/53/87/33/651538733.db2.gz DRBOADAWWHSZCL-OLZOCXBDSA-N 1 1 384.249 2.198 20 0 GEADMO CN(C1CC1)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605589165 651541068 /nfs/dbraw/zinc/54/10/68/651541068.db2.gz QCGHFQZJBOXWTI-AWEZNQCLSA-N 1 1 377.432 2.208 20 0 GEADMO Fc1cc(Br)ccc1NNC(=S)NCCC[NH+]1CCOCC1 ZINC000728447675 651543844 /nfs/dbraw/zinc/54/38/44/651543844.db2.gz MGHABFUSDBBUEV-UHFFFAOYSA-N 1 1 391.310 2.102 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000728793476 651552856 /nfs/dbraw/zinc/55/28/56/651552856.db2.gz HTDQULDAVITELH-QGZVFWFLSA-N 1 1 383.945 2.310 20 0 GEADMO C[C@H](CNC(=O)NCc1n[nH]cc1Br)[N@@H+]1CCc2sccc2C1 ZINC000606482879 651555809 /nfs/dbraw/zinc/55/58/09/651555809.db2.gz WWLPCHPWGWRPQH-SNVBAGLBSA-N 1 1 398.330 2.480 20 0 GEADMO C[C@H](CNC(=O)NCc1n[nH]cc1Br)[N@H+]1CCc2sccc2C1 ZINC000606482879 651555818 /nfs/dbraw/zinc/55/58/18/651555818.db2.gz WWLPCHPWGWRPQH-SNVBAGLBSA-N 1 1 398.330 2.480 20 0 GEADMO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000564161144 651558581 /nfs/dbraw/zinc/55/85/81/651558581.db2.gz SNBIWYPWYBINMB-GJZGRUSLSA-N 1 1 399.329 2.379 20 0 GEADMO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)C2=O)ccc1Br ZINC000644623032 651559250 /nfs/dbraw/zinc/55/92/50/651559250.db2.gz BYKHMIPOGSRISB-RYUDHWBXSA-N 1 1 381.192 2.376 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000564198090 651560563 /nfs/dbraw/zinc/56/05/63/651560563.db2.gz CWPRJTOMBORRMW-INIZCTEOSA-N 1 1 398.345 2.267 20 0 GEADMO CN(CCCN(C)C(=O)[C@H]1COc2ccc(Br)cc21)CC[NH+](C)C ZINC000564198090 651560565 /nfs/dbraw/zinc/56/05/65/651560565.db2.gz CWPRJTOMBORRMW-INIZCTEOSA-N 1 1 398.345 2.267 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)CNCc2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000644646181 651560837 /nfs/dbraw/zinc/56/08/37/651560837.db2.gz WNUUJXFZJLUJQU-LOWVWBTDSA-N 1 1 393.272 2.287 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000644646181 651560841 /nfs/dbraw/zinc/56/08/41/651560841.db2.gz WNUUJXFZJLUJQU-LOWVWBTDSA-N 1 1 393.272 2.287 20 0 GEADMO COC[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000606896965 651562453 /nfs/dbraw/zinc/56/24/53/651562453.db2.gz VFECTSJADMKNRP-AWEZNQCLSA-N 1 1 385.302 2.255 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644731842 651565155 /nfs/dbraw/zinc/56/51/55/651565155.db2.gz OSSIRHBXOABXCN-LNSITVRQSA-N 1 1 389.721 2.478 20 0 GEADMO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644731842 651565162 /nfs/dbraw/zinc/56/51/62/651565162.db2.gz OSSIRHBXOABXCN-LNSITVRQSA-N 1 1 389.721 2.478 20 0 GEADMO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644731842 651565170 /nfs/dbraw/zinc/56/51/70/651565170.db2.gz OSSIRHBXOABXCN-LNSITVRQSA-N 1 1 389.721 2.478 20 0 GEADMO Cn1cc[nH+]c1[C@@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000564465819 651568766 /nfs/dbraw/zinc/56/87/66/651568766.db2.gz UNFAKVJONKMYHO-YGRLFVJLSA-N 1 1 381.249 2.338 20 0 GEADMO COc1ccc(Br)c(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729497539 651570976 /nfs/dbraw/zinc/57/09/76/651570976.db2.gz PTSIZIAANZQMJY-HIFRSBDPSA-N 1 1 398.301 2.120 20 0 GEADMO CCN1CC[NH+](CCC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000644893845 651575719 /nfs/dbraw/zinc/57/57/19/651575719.db2.gz QLRFHVQXYXVQQA-UHFFFAOYSA-N 1 1 380.290 2.063 20 0 GEADMO COc1ccc(Br)cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000607646054 651576400 /nfs/dbraw/zinc/57/64/00/651576400.db2.gz SMRANRBGAYKQDQ-LSDHHAIUSA-N 1 1 383.286 2.129 20 0 GEADMO Brc1ccc2nc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cn2c1 ZINC000607751735 651578020 /nfs/dbraw/zinc/57/80/20/651578020.db2.gz WUFDSPKWDXWFTK-AWEZNQCLSA-N 1 1 379.302 2.251 20 0 GEADMO Brc1ccc2nc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)cn2c1 ZINC000607751735 651578026 /nfs/dbraw/zinc/57/80/26/651578026.db2.gz WUFDSPKWDXWFTK-AWEZNQCLSA-N 1 1 379.302 2.251 20 0 GEADMO Cc1ccc(Br)cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000607898139 651581072 /nfs/dbraw/zinc/58/10/72/651581072.db2.gz LPKJEXZYTQFOFT-MRXNPFEDSA-N 1 1 394.313 2.312 20 0 GEADMO CC1(C)CN(C(=O)Nc2cnc3c(Br)cccn23)CC[N@H+]1CCO ZINC000645009434 651582663 /nfs/dbraw/zinc/58/26/63/651582663.db2.gz HIPZXKGSOYOGMQ-UHFFFAOYSA-N 1 1 396.289 2.017 20 0 GEADMO C[C@]1(CNC(=O)c2n[nH]c3ccc(I)cc32)CCC[NH2+]C1 ZINC000564993339 651586861 /nfs/dbraw/zinc/58/68/61/651586861.db2.gz UDSDKIILDHIPSJ-HNNXBMFYSA-N 1 1 398.248 2.287 20 0 GEADMO NC(=O)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1F ZINC000608372916 651594701 /nfs/dbraw/zinc/59/47/01/651594701.db2.gz NFLKGMWJVNJMTF-BXKDBHETSA-N 1 1 398.198 2.341 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645317170 651596549 /nfs/dbraw/zinc/59/65/49/651596549.db2.gz JMAHNGIXZPQCKN-GFCCVEGCSA-N 1 1 386.290 2.447 20 0 GEADMO O=S1(=O)CC[C@]2(C1)CN(c1cc[nH+]c3ccc(Br)cc31)CCO2 ZINC000645344943 651598136 /nfs/dbraw/zinc/59/81/36/651598136.db2.gz IXMTYKXBFOPSCL-MRXNPFEDSA-N 1 1 397.294 2.391 20 0 GEADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407565 651602248 /nfs/dbraw/zinc/60/22/48/651602248.db2.gz FKBKHEPUCVGAAC-LBPRGKRZSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407565 651602253 /nfs/dbraw/zinc/60/22/53/651602253.db2.gz FKBKHEPUCVGAAC-LBPRGKRZSA-N 1 1 384.293 2.487 20 0 GEADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCn2cc(Br)cn2)cc1 ZINC000608611433 651602887 /nfs/dbraw/zinc/60/28/87/651602887.db2.gz GJGBMNCNXPJCAW-UHFFFAOYSA-N 1 1 394.273 2.175 20 0 GEADMO Cc1c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000608745204 651604867 /nfs/dbraw/zinc/60/48/67/651604867.db2.gz GGPIBQADRILGEI-ZDUSSCGKSA-N 1 1 382.917 2.454 20 0 GEADMO COc1ncc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000645458635 651606548 /nfs/dbraw/zinc/60/65/48/651606548.db2.gz BEZBJSKEMUTWTM-CYBMUJFWSA-N 1 1 375.903 2.386 20 0 GEADMO O[C@H](C[NH2+]Cc1nccs1)COc1ccc(I)cc1 ZINC000608982773 651608247 /nfs/dbraw/zinc/60/82/47/651608247.db2.gz VPPVQCJAAIMXAG-LLVKDONJSA-N 1 1 390.246 2.277 20 0 GEADMO C[C@H]1C[NH+](CCOC2CCN(S(=O)(=O)c3ccsc3)CC2)C[C@H](C)O1 ZINC000566753699 651610364 /nfs/dbraw/zinc/61/03/64/651610364.db2.gz XGYUTNFKKFRXAN-GJZGRUSLSA-N 1 1 388.555 2.027 20 0 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/nfs/dbraw/zinc/65/47/19/651654719.db2.gz DPCLNCUBWNSEGH-SNVBAGLBSA-N 1 1 396.232 2.134 20 0 GEADMO CC[N@H+]1CCCN(C(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000645923029 651668514 /nfs/dbraw/zinc/66/85/14/651668514.db2.gz CSEMUSDOSNGERJ-UHFFFAOYSA-N 1 1 386.290 2.401 20 0 GEADMO COc1cc(CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(Br)cc1O ZINC000645924157 651669489 /nfs/dbraw/zinc/66/94/89/651669489.db2.gz LGLWGYMYVQNTML-PHIMTYICSA-N 1 1 386.290 2.397 20 0 GEADMO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000568546742 651671005 /nfs/dbraw/zinc/67/10/05/651671005.db2.gz OCDSDSAJHRGEAJ-UHFFFAOYSA-N 1 1 396.329 2.398 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000568547916 651671014 /nfs/dbraw/zinc/67/10/14/651671014.db2.gz PQKIMGYNADIHCM-PWSUYJOCSA-N 1 1 388.331 2.068 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000568547913 651671087 /nfs/dbraw/zinc/67/10/87/651671087.db2.gz PQKIMGYNADIHCM-CMPLNLGQSA-N 1 1 388.331 2.068 20 0 GEADMO 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C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000882365184 653778178 /nfs/dbraw/zinc/77/81/78/653778178.db2.gz UEBJVGAACMGTRF-QWHCGFSZSA-N 1 1 385.357 2.085 20 0 GEADMO CC[NH2+]Cc1noc(-c2cc(OC)c(OC)cc2I)n1 ZINC000843142481 653780559 /nfs/dbraw/zinc/78/05/59/653780559.db2.gz ZSSOYJDIMACOBI-UHFFFAOYSA-N 1 1 389.193 2.468 20 0 GEADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccc(Cl)s2)n1 ZINC000789750704 653781031 /nfs/dbraw/zinc/78/10/31/653781031.db2.gz CREFRVFNLLXZBS-NWDGAFQWSA-N 1 1 380.901 2.395 20 0 GEADMO CSCC[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000843202603 653781305 /nfs/dbraw/zinc/78/13/05/653781305.db2.gz SDKBKBPUGVMQTA-AWEZNQCLSA-N 1 1 382.511 2.274 20 0 GEADMO Ic1cnc2ccc(-c3noc(C[NH2+]C4CC4)n3)cn12 ZINC000843224062 653781666 /nfs/dbraw/zinc/78/16/66/653781666.db2.gz JSMFNYWRTZNPTC-UHFFFAOYSA-N 1 1 381.177 2.241 20 0 GEADMO C[N@H+]1CCCC[C@H]1CCN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000789930890 653783295 /nfs/dbraw/zinc/78/32/95/653783295.db2.gz WGYCHCQYZQWROU-LBPRGKRZSA-N 1 1 387.299 2.468 20 0 GEADMO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC000820791363 653783411 /nfs/dbraw/zinc/78/34/11/653783411.db2.gz QGIYVIWEDKSOCF-GFCCVEGCSA-N 1 1 391.320 2.314 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)cc1O ZINC000866046641 653784646 /nfs/dbraw/zinc/78/46/46/653784646.db2.gz YLYRUDOYCFGMRX-GWCFXTLKSA-N 1 1 388.249 2.409 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000866097566 653785982 /nfs/dbraw/zinc/78/59/82/653785982.db2.gz MLPFFZSBRDPCKT-MRVPVSSYSA-N 1 1 377.080 2.383 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)CC[N@H+]1C ZINC000866097566 653785984 /nfs/dbraw/zinc/78/59/84/653785984.db2.gz MLPFFZSBRDPCKT-MRVPVSSYSA-N 1 1 377.080 2.383 20 0 GEADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)N=S1(=O)CCCC1 ZINC000866378839 653791953 /nfs/dbraw/zinc/79/19/53/653791953.db2.gz CTEZCWFLINDYER-WBVHZDCISA-N 1 1 383.539 2.109 20 0 GEADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)N=S1(=O)CCCC1 ZINC000866378839 653791955 /nfs/dbraw/zinc/79/19/55/653791955.db2.gz CTEZCWFLINDYER-WBVHZDCISA-N 1 1 383.539 2.109 20 0 GEADMO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000843778741 653793645 /nfs/dbraw/zinc/79/36/45/653793645.db2.gz KPBHKXLLLUBZMA-MNOVXSKESA-N 1 1 387.249 2.190 20 0 GEADMO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000843783474 653793904 /nfs/dbraw/zinc/79/39/04/653793904.db2.gz KBMKFZSESQOXPT-MWLCHTKSSA-N 1 1 380.388 2.267 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(Br)n1 ZINC000790974607 653802184 /nfs/dbraw/zinc/80/21/84/653802184.db2.gz KASZNFKBBBSBSK-CYBMUJFWSA-N 1 1 397.317 2.328 20 0 GEADMO CCC1(CC)C[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC[S@@]1=O ZINC000844318404 653804928 /nfs/dbraw/zinc/80/49/28/653804928.db2.gz ROGNHZDIWDFMFF-GKVSMKOHSA-N 1 1 376.563 2.227 20 0 GEADMO CCC1(CC)C[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC[S@@]1=O ZINC000844318404 653804929 /nfs/dbraw/zinc/80/49/29/653804929.db2.gz ROGNHZDIWDFMFF-GKVSMKOHSA-N 1 1 376.563 2.227 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000844641028 653810853 /nfs/dbraw/zinc/81/08/53/653810853.db2.gz NHSQFVBXQPBIAG-UPJWGTAASA-N 1 1 387.933 2.143 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)[C@@H](C)C1 ZINC000791370800 653811390 /nfs/dbraw/zinc/81/13/90/653811390.db2.gz QHGLHTLQUOHQNY-ONGXEEELSA-N 1 1 393.962 2.160 20 0 GEADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C)nc1I ZINC000894990048 653811407 /nfs/dbraw/zinc/81/14/07/653811407.db2.gz BEIGPITUYXHPME-KGLIPLIRSA-N 1 1 383.233 2.427 20 0 GEADMO COC(=O)[C@@H]1CSCC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000895015360 653812949 /nfs/dbraw/zinc/81/29/49/653812949.db2.gz FOVJFUNIYCGOJF-RYUDHWBXSA-N 1 1 382.473 2.373 20 0 GEADMO CN(C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000895058623 653814969 /nfs/dbraw/zinc/81/49/69/653814969.db2.gz NGRBOZBVNBEYGB-OAHLLOKOSA-N 1 1 387.933 2.239 20 0 GEADMO CN(C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895058623 653814971 /nfs/dbraw/zinc/81/49/71/653814971.db2.gz NGRBOZBVNBEYGB-OAHLLOKOSA-N 1 1 387.933 2.239 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@H]1C1CC1 ZINC000844766004 653817261 /nfs/dbraw/zinc/81/72/61/653817261.db2.gz XKCKJQRMXJQYGY-QWHCGFSZSA-N 1 1 395.253 2.446 20 0 GEADMO C[C@@H](Nc1ncnc(C(F)(F)F)c1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000895249583 653824579 /nfs/dbraw/zinc/82/45/79/653824579.db2.gz SGPXHHOVMAZPGR-BDAKNGLRSA-N 1 1 382.228 2.304 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC000866787440 653826165 /nfs/dbraw/zinc/82/61/65/653826165.db2.gz LUVBKZSKWCQUES-CVEARBPZSA-N 1 1 377.576 2.079 20 0 GEADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000883091843 653826210 /nfs/dbraw/zinc/82/62/10/653826210.db2.gz YSHPSPWBGWHATI-CQSZACIVSA-N 1 1 379.551 2.470 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895323426 653827529 /nfs/dbraw/zinc/82/75/29/653827529.db2.gz COWILTBSACNSMS-YOEHRIQHSA-N 1 1 380.286 2.261 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2F)[C@H](C)C1 ZINC000866796865 653828080 /nfs/dbraw/zinc/82/80/80/653828080.db2.gz MBJBMIKXRWOSLW-CHWSQXEVSA-N 1 1 393.912 2.289 20 0 GEADMO C[NH+](C)CC[C@H](N)c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000844916181 653829325 /nfs/dbraw/zinc/82/93/25/653829325.db2.gz VFZAGNPDVKFJJQ-NSHDSACASA-N 1 1 393.296 2.302 20 0 GEADMO Cn1cc(CNC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(I)n1 ZINC000895348845 653829454 /nfs/dbraw/zinc/82/94/54/653829454.db2.gz AWLGNPBEAPDNGG-HNNXBMFYSA-N 1 1 396.276 2.389 20 0 GEADMO Cn1cc(CNC[C@@H]2CC[N@H+]2Cc2ccccc2)c(I)n1 ZINC000895348845 653829458 /nfs/dbraw/zinc/82/94/58/653829458.db2.gz AWLGNPBEAPDNGG-HNNXBMFYSA-N 1 1 396.276 2.389 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncc(I)s1 ZINC000883122679 653829666 /nfs/dbraw/zinc/82/96/66/653829666.db2.gz VXSAFWNRWHOPLX-RKDXNWHRSA-N 1 1 377.251 2.056 20 0 GEADMO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000895355696 653829804 /nfs/dbraw/zinc/82/98/04/653829804.db2.gz NSJRFLIGGOAWHS-UHFFFAOYSA-N 1 1 393.353 2.233 20 0 GEADMO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895361454 653829864 /nfs/dbraw/zinc/82/98/64/653829864.db2.gz CHCVEZUUHJUQKC-INIZCTEOSA-N 1 1 382.302 2.314 20 0 GEADMO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883133650 653829964 /nfs/dbraw/zinc/82/99/64/653829964.db2.gz FQUGONWIIFKJEZ-ARFHVFGLSA-N 1 1 382.302 2.409 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000866808717 653830113 /nfs/dbraw/zinc/83/01/13/653830113.db2.gz BPWDPDDMRTVHLD-SNVBAGLBSA-N 1 1 377.229 2.256 20 0 GEADMO CC[C@@H]1[C@@H]([NH2+]Cc2nc(Br)nn2C)CCN1C(=O)OC(C)(C)C ZINC000895394218 653832047 /nfs/dbraw/zinc/83/20/47/653832047.db2.gz XPHZQJYVQHGSGT-WDEREUQCSA-N 1 1 388.310 2.455 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1I ZINC000895408424 653833166 /nfs/dbraw/zinc/83/31/66/653833166.db2.gz UPTGHGXQCMHADZ-GFCCVEGCSA-N 1 1 396.232 2.019 20 0 GEADMO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883303194 653834859 /nfs/dbraw/zinc/83/48/59/653834859.db2.gz RDTHYLCPMFUBJQ-VHSXEESVSA-N 1 1 384.267 2.274 20 0 GEADMO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000883303192 653834892 /nfs/dbraw/zinc/83/48/92/653834892.db2.gz RDTHYLCPMFUBJQ-NXEZZACHSA-N 1 1 384.267 2.274 20 0 GEADMO O=C(c1nc(Br)ccc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000792102606 653835082 /nfs/dbraw/zinc/83/50/82/653835082.db2.gz OFRSITTVCYKABN-LBPRGKRZSA-N 1 1 386.265 2.310 20 0 GEADMO Cn1ccn2c(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)nnc2c1=O ZINC000883335115 653835880 /nfs/dbraw/zinc/83/58/80/653835880.db2.gz NAXQUXFOLMYQGQ-CYBMUJFWSA-N 1 1 394.298 2.493 20 0 GEADMO C[N@H+](CCN[C@H]1CCc2c1c(Br)ccc2F)CCOCCO ZINC000883351052 653836639 /nfs/dbraw/zinc/83/66/39/653836639.db2.gz WJHNUHMNWOEURT-HNNXBMFYSA-N 1 1 375.282 2.106 20 0 GEADMO C[N@@H+](CCN[C@H]1CCc2c1c(Br)ccc2F)CCOCCO ZINC000883351052 653836641 /nfs/dbraw/zinc/83/66/41/653836641.db2.gz WJHNUHMNWOEURT-HNNXBMFYSA-N 1 1 375.282 2.106 20 0 GEADMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cn(C)nc3Br)C2)cc1 ZINC000895499296 653838253 /nfs/dbraw/zinc/83/82/53/653838253.db2.gz WFJINAKKAZWSMS-CQSZACIVSA-N 1 1 379.258 2.474 20 0 GEADMO Nc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nc(C(F)(F)C(F)(F)F)n1 ZINC000895565730 653841031 /nfs/dbraw/zinc/84/10/31/653841031.db2.gz XFNNIPDIUWHDPS-HTQZYQBOSA-N 1 1 384.378 2.100 20 0 GEADMO COC(=O)c1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1Br ZINC000895574870 653841257 /nfs/dbraw/zinc/84/12/57/653841257.db2.gz AALLTYXPGWXXJM-OKILXGFUSA-N 1 1 381.270 2.146 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866882758 653842658 /nfs/dbraw/zinc/84/26/58/653842658.db2.gz XYFKMZHNWXEQCM-LFPIHBKWSA-N 1 1 391.534 2.333 20 0 GEADMO CN(C(=O)c1cnn2cccc(Br)c12)C(C)(C)C[NH+]1CCOCC1 ZINC000822861308 653843671 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GEADMO C[NH+](C)CCN1CCC(Nc2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825866522 653942535 /nfs/dbraw/zinc/94/25/35/653942535.db2.gz ZQUZKEHETCTGLN-UHFFFAOYSA-N 1 1 394.321 2.067 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000825972886 653944816 /nfs/dbraw/zinc/94/48/16/653944816.db2.gz FZEOIVYTLAVBET-YOEHRIQHSA-N 1 1 386.323 2.265 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)[C@H](C)C1 ZINC000867525292 653944982 /nfs/dbraw/zinc/94/49/82/653944982.db2.gz PQUJQTPIJRQLPM-HGBDLFLASA-N 1 1 393.325 2.248 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)[C@H](C)C1 ZINC000867525292 653944989 /nfs/dbraw/zinc/94/49/89/653944989.db2.gz PQUJQTPIJRQLPM-HGBDLFLASA-N 1 1 393.325 2.248 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000897978625 653947603 /nfs/dbraw/zinc/94/76/03/653947603.db2.gz QKKBVKKRGSOJMA-LBPRGKRZSA-N 1 1 376.210 2.226 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1cnn(C2CCC2)c1 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GEADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1[nH]nc2ccc(Br)cc21 ZINC000885869311 653960930 /nfs/dbraw/zinc/96/09/30/653960930.db2.gz QJICPOBXOPLUSY-ZDUSSCGKSA-N 1 1 393.285 2.309 20 0 GEADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)ncc1Cl ZINC000885880124 653961784 /nfs/dbraw/zinc/96/17/84/653961784.db2.gz NIUYQFJXYXYQJK-NSHDSACASA-N 1 1 388.693 2.481 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000867640112 653966365 /nfs/dbraw/zinc/96/63/65/653966365.db2.gz RMUONTAHHIYBMP-LBPRGKRZSA-N 1 1 395.301 2.014 20 0 GEADMO C[C@H](C(=O)NN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCCCCC1 ZINC000848271250 653968131 /nfs/dbraw/zinc/96/81/31/653968131.db2.gz DESCUORHGGKDNI-LLVKDONJSA-N 1 1 394.269 2.341 20 0 GEADMO Cc1nc(SC2CCCC2)sc1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307108 653969552 /nfs/dbraw/zinc/96/95/52/653969552.db2.gz PWUBNZLCPBIATD-UONOGXRCSA-N 1 1 381.567 2.306 20 0 GEADMO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000898439403 653970864 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C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000152494713 531553807 /nfs/dbraw/zinc/55/38/07/531553807.db2.gz PPXNNUISKLSLKM-KBXCAEBGSA-N 1 1 397.313 2.460 20 0 GEADMO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000152494713 531553815 /nfs/dbraw/zinc/55/38/15/531553815.db2.gz PPXNNUISKLSLKM-KBXCAEBGSA-N 1 1 397.313 2.460 20 0 GEADMO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000153636587 531604959 /nfs/dbraw/zinc/60/49/59/531604959.db2.gz AAMAPAGOKCLJOP-KBPBESRZSA-N 1 1 394.313 2.355 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000153808711 531608931 /nfs/dbraw/zinc/60/89/31/531608931.db2.gz QLTCFYMNBCSQPI-SNVBAGLBSA-N 1 1 388.693 2.499 20 0 GEADMO O=C(Cn1cc(Br)ccc1=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153925118 531612424 /nfs/dbraw/zinc/61/24/24/531612424.db2.gz NCCQYDMRHQYVNE-CJNGLKHVSA-N 1 1 394.313 2.086 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000154000817 531616331 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CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000041625478 531668050 /nfs/dbraw/zinc/66/80/50/531668050.db2.gz IRCXJQXFSFMYQO-CYBMUJFWSA-N 1 1 391.331 2.089 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000042751842 531672298 /nfs/dbraw/zinc/67/22/98/531672298.db2.gz TXISLPWBUMDGAG-UHFFFAOYSA-N 1 1 398.345 2.362 20 0 GEADMO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000155314061 531674658 /nfs/dbraw/zinc/67/46/58/531674658.db2.gz JALRCIQYQMGBJZ-NSHDSACASA-N 1 1 377.329 2.454 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)Nc1cccc(I)c1 ZINC000043317104 531679956 /nfs/dbraw/zinc/67/99/56/531679956.db2.gz VSYKYZIEYPRFGH-UHFFFAOYSA-N 1 1 391.253 2.381 20 0 GEADMO CC[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000155548863 531688722 /nfs/dbraw/zinc/68/87/22/531688722.db2.gz VZOBMGGSDINMPU-OCCSQVGLSA-N 1 1 378.897 2.086 20 0 GEADMO CC[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000155548863 531688726 /nfs/dbraw/zinc/68/87/26/531688726.db2.gz VZOBMGGSDINMPU-OCCSQVGLSA-N 1 1 378.897 2.086 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccs1 ZINC000047031708 531709011 /nfs/dbraw/zinc/70/90/11/531709011.db2.gz FFBHGMBZKFKMDL-CQSZACIVSA-N 1 1 382.507 2.491 20 0 GEADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000047975074 531726708 /nfs/dbraw/zinc/72/67/08/531726708.db2.gz QPCKIXSYNIFYFC-MRXNPFEDSA-N 1 1 384.307 2.301 20 0 GEADMO C[C@@H](CNC(=O)COc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047494038 531712531 /nfs/dbraw/zinc/71/25/31/531712531.db2.gz PAWWUUSZWYMSJK-MELADBBJSA-N 1 1 385.302 2.442 20 0 GEADMO C[C@@H](CNC(=O)COc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047494038 531712540 /nfs/dbraw/zinc/71/25/40/531712540.db2.gz PAWWUUSZWYMSJK-MELADBBJSA-N 1 1 385.302 2.442 20 0 GEADMO COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000156131598 531717129 /nfs/dbraw/zinc/71/71/29/531717129.db2.gz CADYSYISSUVZPG-GFCCVEGCSA-N 1 1 386.470 2.255 20 0 GEADMO CSc1ncc(Cl)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000050799296 531739005 /nfs/dbraw/zinc/73/90/05/531739005.db2.gz OYZVTGKJIMNBLQ-UHFFFAOYSA-N 1 1 383.949 2.140 20 0 GEADMO CC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157423317 531741771 /nfs/dbraw/zinc/74/17/71/531741771.db2.gz AVHHSNFHIJMEPD-XKQJLSEDSA-N 1 1 375.918 2.288 20 0 GEADMO CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157423317 531741783 /nfs/dbraw/zinc/74/17/83/531741783.db2.gz AVHHSNFHIJMEPD-XKQJLSEDSA-N 1 1 375.918 2.288 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053250457 531757741 /nfs/dbraw/zinc/75/77/41/531757741.db2.gz MEKWUINDZBJTPI-GFCCVEGCSA-N 1 1 377.304 2.172 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053250457 531757744 /nfs/dbraw/zinc/75/77/44/531757744.db2.gz MEKWUINDZBJTPI-GFCCVEGCSA-N 1 1 377.304 2.172 20 0 GEADMO Cn1ncc2c1nc(C[NH2+]C(C)(C)c1ccc(Br)cc1)[nH]c2=O ZINC000052829461 531750109 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Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000056054963 531803826 /nfs/dbraw/zinc/80/38/26/531803826.db2.gz MMIAVYPGIMEKKX-UHFFFAOYSA-N 1 1 392.978 2.022 20 0 GEADMO C[C@H](CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[N@@H+](C)C1CC1 ZINC000057707270 531822613 /nfs/dbraw/zinc/82/26/13/531822613.db2.gz MAWFDUROANYWFF-OCCSQVGLSA-N 1 1 394.313 2.401 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000058276520 531829623 /nfs/dbraw/zinc/82/96/23/531829623.db2.gz GHNOXRTZLVMQSZ-UONOGXRCSA-N 1 1 396.329 2.416 20 0 GEADMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000162793777 531851393 /nfs/dbraw/zinc/85/13/93/531851393.db2.gz ZUADSLAYOFCJGA-SJORKVTESA-N 1 1 384.567 2.423 20 0 GEADMO Cc1cccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000162320315 531841994 /nfs/dbraw/zinc/84/19/94/531841994.db2.gz YMJKDNJZRXVWMM-HNNXBMFYSA-N 1 1 396.329 2.430 20 0 GEADMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(I)cc1 ZINC000064570543 531868023 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Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000181445791 532299464 /nfs/dbraw/zinc/29/94/64/532299464.db2.gz UJGSAANCDCHKBZ-NWDGAFQWSA-N 1 1 397.317 2.328 20 0 GEADMO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000181513326 532300335 /nfs/dbraw/zinc/30/03/35/532300335.db2.gz ZTTVPCRRNOBCID-NSHDSACASA-N 1 1 386.290 2.135 20 0 GEADMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000181564994 532301974 /nfs/dbraw/zinc/30/19/74/532301974.db2.gz KZCFGAFNIQXQLX-ZDUSSCGKSA-N 1 1 378.441 2.200 20 0 GEADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000181564994 532301977 /nfs/dbraw/zinc/30/19/77/532301977.db2.gz KZCFGAFNIQXQLX-ZDUSSCGKSA-N 1 1 378.441 2.200 20 0 GEADMO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000181570345 532302358 /nfs/dbraw/zinc/30/23/58/532302358.db2.gz JBZFOELZPYMPCE-GXTWGEPZSA-N 1 1 382.302 2.227 20 0 GEADMO O=C(CC(=O)NCC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000181943182 532308071 /nfs/dbraw/zinc/30/80/71/532308071.db2.gz MVQJRPTWTPVARG-GFCCVEGCSA-N 1 1 377.432 2.145 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000137566871 532289915 /nfs/dbraw/zinc/28/99/15/532289915.db2.gz BWQNVBIZMISETF-QMMMGPOBSA-N 1 1 379.629 2.021 20 0 GEADMO COC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000183379943 532324762 /nfs/dbraw/zinc/32/47/62/532324762.db2.gz VVMUSBCPYDWLIM-SWLSCSKDSA-N 1 1 391.461 2.138 20 0 GEADMO CO[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000182078121 532309131 /nfs/dbraw/zinc/30/91/31/532309131.db2.gz NNLGJOMZLZKXLR-GFCCVEGCSA-N 1 1 388.249 2.084 20 0 GEADMO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000182221195 532310812 /nfs/dbraw/zinc/31/08/12/532310812.db2.gz VTUIPVOVFBFZGX-SNVBAGLBSA-N 1 1 376.259 2.474 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N(C)CCCN1CC[NH+](C)CC1 ZINC000182955876 532319783 /nfs/dbraw/zinc/31/97/83/532319783.db2.gz FUTBHBDYKUBGKW-KRWDZBQOSA-N 1 1 398.345 2.233 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000183047906 532320945 /nfs/dbraw/zinc/32/09/45/532320945.db2.gz ZUFDOJFFTLXWHK-KSSFIOAISA-N 1 1 381.519 2.202 20 0 GEADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183119415 532321775 /nfs/dbraw/zinc/32/17/75/532321775.db2.gz LCRHYRAJHXAMDK-UUOWRZLLSA-N 1 1 380.535 2.146 20 0 GEADMO CN1CCN(c2cccc(Cl)c2C[NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000185210538 532337200 /nfs/dbraw/zinc/33/72/00/532337200.db2.gz WUAHYQWFUAEOOR-UHFFFAOYSA-N 1 1 387.977 2.396 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185586110 532338004 /nfs/dbraw/zinc/33/80/04/532338004.db2.gz PKIYACIRKSTACP-LBPRGKRZSA-N 1 1 378.947 2.451 20 0 GEADMO CCS(=O)(=O)N(C)C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187248463 532343692 /nfs/dbraw/zinc/34/36/92/532343692.db2.gz ZKXXMIKEYFSYIW-MRXNPFEDSA-N 1 1 378.897 2.258 20 0 GEADMO CSc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000185831449 532338871 /nfs/dbraw/zinc/33/88/71/532338871.db2.gz NAXUCTPIAFDTGS-ZDUSSCGKSA-N 1 1 390.958 2.405 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(I)c1 ZINC000186204401 532340169 /nfs/dbraw/zinc/34/01/69/532340169.db2.gz MOUQCCYGNPFSCO-LBPRGKRZSA-N 1 1 394.278 2.054 20 0 GEADMO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cnn(CC(F)F)c1 ZINC000186244397 532340230 /nfs/dbraw/zinc/34/02/30/532340230.db2.gz XJTBZVCRYNXJKS-CYBMUJFWSA-N 1 1 390.481 2.325 20 0 GEADMO C[N@@H+](CCCNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000186248146 532340244 /nfs/dbraw/zinc/34/02/44/532340244.db2.gz GJMMRTUXEHDRBM-UHFFFAOYSA-N 1 1 382.452 2.378 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186290180 532340343 /nfs/dbraw/zinc/34/03/43/532340343.db2.gz PJLADGQRVJBKLF-BETUJISGSA-N 1 1 382.452 2.092 20 0 GEADMO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000186297989 532340552 /nfs/dbraw/zinc/34/05/52/532340552.db2.gz FCUDWIQKKAUZOK-IAGOWNOFSA-N 1 1 399.329 2.234 20 0 GEADMO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000186297989 532340553 /nfs/dbraw/zinc/34/05/53/532340553.db2.gz FCUDWIQKKAUZOK-IAGOWNOFSA-N 1 1 399.329 2.234 20 0 GEADMO O=C(CCSc1ccccc1Cl)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186609639 532341325 /nfs/dbraw/zinc/34/13/25/532341325.db2.gz LRGBECQQSCPDMT-CQSZACIVSA-N 1 1 381.929 2.245 20 0 GEADMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000186686424 532341699 /nfs/dbraw/zinc/34/16/99/532341699.db2.gz XRSWXGCCDCVLQC-CJNGLKHVSA-N 1 1 378.897 2.306 20 0 GEADMO O=C(C[N@H+]1CCSC2(CCOCC2)C1)NCCOc1cccc(Cl)c1 ZINC000186831491 532342117 /nfs/dbraw/zinc/34/21/17/532342117.db2.gz VUKDYSIWAJPTGG-UHFFFAOYSA-N 1 1 384.929 2.433 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000186862536 532342337 /nfs/dbraw/zinc/34/23/37/532342337.db2.gz HJQSARAMHODFMY-GFCCVEGCSA-N 1 1 375.332 2.358 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000186913145 532342425 /nfs/dbraw/zinc/34/24/25/532342425.db2.gz PXIWXCAKQUETJA-LBPRGKRZSA-N 1 1 387.293 2.434 20 0 GEADMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000183901096 532329857 /nfs/dbraw/zinc/32/98/57/532329857.db2.gz CSHDXCVKXCAYGY-IXDOHACOSA-N 1 1 397.313 2.242 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCOc1ccccc1Br ZINC000184343803 532332288 /nfs/dbraw/zinc/33/22/88/532332288.db2.gz QLIPEVIBHRSGHE-OAHLLOKOSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960125 532346067 /nfs/dbraw/zinc/34/60/67/532346067.db2.gz IDKBENVKXHUAOQ-LRDDRELGSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960125 532346068 /nfs/dbraw/zinc/34/60/68/532346068.db2.gz IDKBENVKXHUAOQ-LRDDRELGSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960070 532346116 /nfs/dbraw/zinc/34/61/16/532346116.db2.gz IDKBENVKXHUAOQ-BLLLJJGKSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960070 532346117 /nfs/dbraw/zinc/34/61/17/532346117.db2.gz IDKBENVKXHUAOQ-BLLLJJGKSA-N 1 1 380.290 2.408 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000188390842 532347997 /nfs/dbraw/zinc/34/79/97/532347997.db2.gz JVLRDRUFXMDYRB-HNNXBMFYSA-N 1 1 395.345 2.273 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000188746895 532349335 /nfs/dbraw/zinc/34/93/35/532349335.db2.gz GCNGAWIZOKVKHS-ZDUSSCGKSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@@H+]1CCO ZINC000188761305 532349607 /nfs/dbraw/zinc/34/96/07/532349607.db2.gz PHCPCTITBBJHMS-LLVKDONJSA-N 1 1 375.694 2.170 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@H+]1CCO ZINC000188761305 532349608 /nfs/dbraw/zinc/34/96/08/532349608.db2.gz PHCPCTITBBJHMS-LLVKDONJSA-N 1 1 375.694 2.170 20 0 GEADMO C[C@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@@H+]1CCO ZINC000188761329 532349610 /nfs/dbraw/zinc/34/96/10/532349610.db2.gz PHCPCTITBBJHMS-NSHDSACASA-N 1 1 375.694 2.170 20 0 GEADMO C[C@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@H+]1CCO ZINC000188761329 532349611 /nfs/dbraw/zinc/34/96/11/532349611.db2.gz PHCPCTITBBJHMS-NSHDSACASA-N 1 1 375.694 2.170 20 0 GEADMO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189378512 532351899 /nfs/dbraw/zinc/35/18/99/532351899.db2.gz QCHZOTKLLCCECE-AWEZNQCLSA-N 1 1 397.313 2.497 20 0 GEADMO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000189378512 532351900 /nfs/dbraw/zinc/35/19/00/532351900.db2.gz QCHZOTKLLCCECE-AWEZNQCLSA-N 1 1 397.313 2.497 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1Br)OCCO2 ZINC000189419513 532352169 /nfs/dbraw/zinc/35/21/69/532352169.db2.gz LIGZJAJYQWNHEW-ZDUSSCGKSA-N 1 1 399.329 2.497 20 0 GEADMO Cc1ccc(I)cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189445237 532352279 /nfs/dbraw/zinc/35/22/79/532352279.db2.gz GWEMRUNNPDGALF-UHFFFAOYSA-N 1 1 388.249 2.052 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000189940268 532354117 /nfs/dbraw/zinc/35/41/17/532354117.db2.gz FHJDQICIXSKIBF-AWEZNQCLSA-N 1 1 382.507 2.424 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000189952581 532354241 /nfs/dbraw/zinc/35/42/41/532354241.db2.gz FHUCNIPMJNTNRM-ZDUSSCGKSA-N 1 1 382.302 2.462 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000190010512 532354493 /nfs/dbraw/zinc/35/44/93/532354493.db2.gz IBSJCVFXTLVJRT-LLVKDONJSA-N 1 1 378.885 2.470 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000190257219 532355482 /nfs/dbraw/zinc/35/54/82/532355482.db2.gz IICRPSUPHPZKLA-UHFFFAOYSA-N 1 1 395.229 2.203 20 0 GEADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC(F)(F)C[NH3+] ZINC000190248481 532355523 /nfs/dbraw/zinc/35/55/23/532355523.db2.gz OKSIEEOTPXRUCX-UHFFFAOYSA-N 1 1 375.169 2.188 20 0 GEADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190354695 532355719 /nfs/dbraw/zinc/35/57/19/532355719.db2.gz VNQCAXQNKPHAHE-HUUCEWRRSA-N 1 1 380.286 2.473 20 0 GEADMO C[C@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000190482380 532356238 /nfs/dbraw/zinc/35/62/38/532356238.db2.gz BNOIMDYFJJPZEM-BYCMXARLSA-N 1 1 380.432 2.405 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000190785911 532357916 /nfs/dbraw/zinc/35/79/16/532357916.db2.gz ABIFXASTACNGHH-UHFFFAOYSA-N 1 1 390.228 2.218 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000190838337 532358251 /nfs/dbraw/zinc/35/82/51/532358251.db2.gz GPFSUQLLZNLAKL-MDZLAQPJSA-N 1 1 378.694 2.402 20 0 GEADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)nn1 ZINC000191040684 532359254 /nfs/dbraw/zinc/35/92/54/532359254.db2.gz JYDTWOFDWKJYMP-UHFFFAOYSA-N 1 1 380.290 2.315 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000187374390 532344160 /nfs/dbraw/zinc/34/41/60/532344160.db2.gz JWGLZCMHSXAXHO-UHFFFAOYSA-N 1 1 395.301 2.452 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187366878 532344186 /nfs/dbraw/zinc/34/41/86/532344186.db2.gz MEXIYIVXCQGARU-KRWDZBQOSA-N 1 1 388.325 2.191 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000187366878 532344187 /nfs/dbraw/zinc/34/41/87/532344187.db2.gz MEXIYIVXCQGARU-KRWDZBQOSA-N 1 1 388.325 2.191 20 0 GEADMO Cc1cc(C)c(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000187526128 532344692 /nfs/dbraw/zinc/34/46/92/532344692.db2.gz HOBIUDSEAJCYGQ-UHFFFAOYSA-N 1 1 397.317 2.352 20 0 GEADMO Cc1cc(NC(=O)[C@@H](C)N2CC[N@H+](CCO)[C@H](C)C2)ccc1Br ZINC000187726991 532345262 /nfs/dbraw/zinc/34/52/62/532345262.db2.gz LMEBAJGDPDTKFI-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO Cc1cc(NC(=O)[C@@H](C)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1Br ZINC000187726991 532345263 /nfs/dbraw/zinc/34/52/63/532345263.db2.gz LMEBAJGDPDTKFI-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187716642 532345307 /nfs/dbraw/zinc/34/53/07/532345307.db2.gz OEPFLQRZTPXQLW-STQMWFEESA-N 1 1 376.473 2.080 20 0 GEADMO O=C(Nc1ccncc1Br)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000557792016 532372167 /nfs/dbraw/zinc/37/21/67/532372167.db2.gz HXIURMIQOXEBOT-HUUCEWRRSA-N 1 1 383.290 2.031 20 0 GEADMO CC[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCOC1 ZINC000463435157 532372661 /nfs/dbraw/zinc/37/26/61/532372661.db2.gz HJLIOYCHWAHFMH-AWEZNQCLSA-N 1 1 387.311 2.148 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425215070 532374370 /nfs/dbraw/zinc/37/43/70/532374370.db2.gz LPVWAUDZHOESOX-BLLLJJGKSA-N 1 1 375.897 2.182 20 0 GEADMO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425214196 532375220 /nfs/dbraw/zinc/37/52/20/532375220.db2.gz IWQPQTIFWPILHZ-SWLSCSKDSA-N 1 1 386.901 2.150 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000621965212 532375807 /nfs/dbraw/zinc/37/58/07/532375807.db2.gz HVJTXFNSCYIFCI-NSHDSACASA-N 1 1 399.285 2.095 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000191937802 532376015 /nfs/dbraw/zinc/37/60/15/532376015.db2.gz KPORRJUOHSKQMX-LLVKDONJSA-N 1 1 386.265 2.436 20 0 GEADMO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnns1)c1ccccc1Cl ZINC000191969850 532377025 /nfs/dbraw/zinc/37/70/25/532377025.db2.gz YBKOUROZSKMDBM-CYBMUJFWSA-N 1 1 381.889 2.329 20 0 GEADMO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(Br)o1)c1cccs1 ZINC000191468506 532361127 /nfs/dbraw/zinc/36/11/27/532361127.db2.gz JSRCQOLDDXRRGJ-SECBINFHSA-N 1 1 380.285 2.028 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191583171 532361544 /nfs/dbraw/zinc/36/15/44/532361544.db2.gz IPUSVSCKFGRYHN-AWEZNQCLSA-N 1 1 382.302 2.337 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000191627780 532361713 /nfs/dbraw/zinc/36/17/13/532361713.db2.gz RAMUOTZHQILYCS-UHFFFAOYSA-N 1 1 383.334 2.251 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000191627780 532361714 /nfs/dbraw/zinc/36/17/14/532361714.db2.gz RAMUOTZHQILYCS-UHFFFAOYSA-N 1 1 383.334 2.251 20 0 GEADMO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000278403847 532378385 /nfs/dbraw/zinc/37/83/85/532378385.db2.gz GCLGNQYCQYWLFI-WDEREUQCSA-N 1 1 379.452 2.158 20 0 GEADMO O[C@@H]1COC[C@H]1[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000463074924 532365015 /nfs/dbraw/zinc/36/50/15/532365015.db2.gz VSWLEKXRDKGEOU-ZIAGYGMSSA-N 1 1 395.219 2.350 20 0 GEADMO C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000371978919 532365436 /nfs/dbraw/zinc/36/54/36/532365436.db2.gz KUSGBXGPXLUXOO-UHFFFAOYSA-N 1 1 385.961 2.378 20 0 GEADMO C[NH+]1CCN(C(=O)CN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621751768 532365685 /nfs/dbraw/zinc/36/56/85/532365685.db2.gz NLNYJPNRYJMDEF-CQSZACIVSA-N 1 1 376.245 2.119 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463118700 532366225 /nfs/dbraw/zinc/36/62/25/532366225.db2.gz LHUUHOQWTRVYIY-OAHLLOKOSA-N 1 1 383.242 2.336 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590012340 532366451 /nfs/dbraw/zinc/36/64/51/532366451.db2.gz RMMKYWDOZUGYON-HZMBPMFUSA-N 1 1 386.279 2.354 20 0 GEADMO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[NH+](C)CC1 ZINC000191805714 532368300 /nfs/dbraw/zinc/36/83/00/532368300.db2.gz CZCDDMQASYDQAS-DZGCQCFKSA-N 1 1 385.339 2.324 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621807753 532368742 /nfs/dbraw/zinc/36/87/42/532368742.db2.gz MDIKFFDMVFARKU-CYBMUJFWSA-N 1 1 375.416 2.321 20 0 GEADMO CNS(=O)(=O)NC1CC[NH+]([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000463215081 532369091 /nfs/dbraw/zinc/36/90/91/532369091.db2.gz NHPAKNSOTMWNQZ-HNNXBMFYSA-N 1 1 378.325 2.499 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000191857212 532371181 /nfs/dbraw/zinc/37/11/81/532371181.db2.gz SBNUOEDTVFBIEX-CYBMUJFWSA-N 1 1 376.906 2.128 20 0 GEADMO C[N@H+]1CCN(c2ncc(I)cn2)C[C@@H]1Cc1ccccc1 ZINC000557741343 532371488 /nfs/dbraw/zinc/37/14/88/532371488.db2.gz DFJRRNIJNQSJHE-HNNXBMFYSA-N 1 1 394.260 2.444 20 0 GEADMO COc1cc(Cl)c(Br)cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000192219097 532395410 /nfs/dbraw/zinc/39/54/10/532395410.db2.gz WPZSJVWPXIMIPN-SNVBAGLBSA-N 1 1 391.693 2.250 20 0 GEADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc(Br)nn3C)CC2)C[C@H](C)O1 ZINC000192025135 532379230 /nfs/dbraw/zinc/37/92/30/532379230.db2.gz SFXFBJYEBZWMIV-BETUJISGSA-N 1 1 399.333 2.144 20 0 GEADMO COc1ccc(CCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000647707681 532380268 /nfs/dbraw/zinc/38/02/68/532380268.db2.gz BNICGGILNDBYJZ-HUUCEWRRSA-N 1 1 397.313 2.058 20 0 GEADMO CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1cccc(Br)c1 ZINC000647707626 532381497 /nfs/dbraw/zinc/38/14/97/532381497.db2.gz AURBWDZLHSPYTD-JKSUJKDBSA-N 1 1 381.314 2.394 20 0 GEADMO C[C@@H](CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+]1CCOCC1 ZINC000278532960 532384250 /nfs/dbraw/zinc/38/42/50/532384250.db2.gz BVICSUDAZIJVLS-QWRGUYRKSA-N 1 1 380.436 2.490 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000647895946 532384601 /nfs/dbraw/zinc/38/46/01/532384601.db2.gz PMMDSIGEDCWZHY-TXEJJXNPSA-N 1 1 382.452 2.465 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647905145 532385037 /nfs/dbraw/zinc/38/50/37/532385037.db2.gz FFONOYSOQMLBJN-QWHCGFSZSA-N 1 1 377.457 2.124 20 0 GEADMO CN(C(=O)c1cccnc1-n1cc(Br)cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000294832732 532386503 /nfs/dbraw/zinc/38/65/03/532386503.db2.gz DKWWOVOXFVKYFR-ZDUSSCGKSA-N 1 1 378.274 2.196 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000372373789 532387687 /nfs/dbraw/zinc/38/76/87/532387687.db2.gz DNZVPKYVEXYIAR-IUODEOHRSA-N 1 1 380.286 2.249 20 0 GEADMO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(Br)cc1F ZINC000590817824 532388623 /nfs/dbraw/zinc/38/86/23/532388623.db2.gz SYHSXRIQPNNSRW-VIFPVBQESA-N 1 1 388.237 2.448 20 0 GEADMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CCC[N@H+]1C ZINC000425742975 532393074 /nfs/dbraw/zinc/39/30/74/532393074.db2.gz MPGVNWZKNIWMPP-MWLCHTKSSA-N 1 1 375.803 2.479 20 0 GEADMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000372492178 532393560 /nfs/dbraw/zinc/39/35/60/532393560.db2.gz DHTURFZXXXSGTM-HNNXBMFYSA-N 1 1 397.313 2.230 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000624022863 532394897 /nfs/dbraw/zinc/39/48/97/532394897.db2.gz DRQMZPKHSPZZPC-UHFFFAOYSA-N 1 1 394.273 2.385 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)cc(C)c(Br)c2C)CC1 ZINC000623999947 532394987 /nfs/dbraw/zinc/39/49/87/532394987.db2.gz ILJNVRAIBGHJKD-UHFFFAOYSA-N 1 1 396.329 2.315 20 0 GEADMO C[NH+]1CCN(C(=O)CN2CCc3[nH]c4ccc(Br)cc4c3C2)CC1 ZINC000678522872 532397664 /nfs/dbraw/zinc/39/76/64/532397664.db2.gz DUBCEKPBTYXISR-UHFFFAOYSA-N 1 1 391.313 2.063 20 0 GEADMO CCC1(CC)C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCS1 ZINC000464565698 532398602 /nfs/dbraw/zinc/39/86/02/532398602.db2.gz AERFDEGVPHYDKZ-UHFFFAOYSA-N 1 1 385.555 2.189 20 0 GEADMO CCC1(CC)C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCS1 ZINC000464565698 532398608 /nfs/dbraw/zinc/39/86/08/532398608.db2.gz AERFDEGVPHYDKZ-UHFFFAOYSA-N 1 1 385.555 2.189 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C[C@H](C)[N@H+]1C ZINC000425786382 532396346 /nfs/dbraw/zinc/39/63/46/532396346.db2.gz LUGNHUYFBQYRNR-AOOOYVTPSA-N 1 1 375.803 2.431 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C[C@H](C)[N@@H+]1C ZINC000425786382 532396348 /nfs/dbraw/zinc/39/63/48/532396348.db2.gz LUGNHUYFBQYRNR-AOOOYVTPSA-N 1 1 375.803 2.431 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000624615918 532399656 /nfs/dbraw/zinc/39/96/56/532399656.db2.gz MOHBFFBSPBIEQZ-CYBMUJFWSA-N 1 1 397.317 2.419 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000295056626 532400443 /nfs/dbraw/zinc/40/04/43/532400443.db2.gz BNYKCGPBQBYNME-KRWDZBQOSA-N 1 1 396.285 2.347 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000295056626 532400450 /nfs/dbraw/zinc/40/04/50/532400450.db2.gz BNYKCGPBQBYNME-KRWDZBQOSA-N 1 1 396.285 2.347 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc(Br)cnc2OC)C[C@H]1C ZINC000624632333 532401029 /nfs/dbraw/zinc/40/10/29/532401029.db2.gz QBLREHIVFMIIAH-NEPJUHHUSA-N 1 1 385.306 2.477 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624609319 532399290 /nfs/dbraw/zinc/39/92/90/532399290.db2.gz ULRZJWXLMSNWGA-GFCCVEGCSA-N 1 1 385.306 2.384 20 0 GEADMO O=C1CNC(=O)N1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559479054 532403780 /nfs/dbraw/zinc/40/37/80/532403780.db2.gz JUTNFHZJRHZFAF-AWEZNQCLSA-N 1 1 380.286 2.398 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H](CO)CC1)Nc1ccc(I)cc1 ZINC000559459265 532403956 /nfs/dbraw/zinc/40/39/56/532403956.db2.gz RHQGNRMOXAGEDO-LBPRGKRZSA-N 1 1 388.249 2.324 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000295107855 532404490 /nfs/dbraw/zinc/40/44/90/532404490.db2.gz UNXMFHNGEOWBJR-INIZCTEOSA-N 1 1 382.258 2.108 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000295107855 532404492 /nfs/dbraw/zinc/40/44/92/532404492.db2.gz UNXMFHNGEOWBJR-INIZCTEOSA-N 1 1 382.258 2.108 20 0 GEADMO COc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)sc1Br ZINC000372729841 532404809 /nfs/dbraw/zinc/40/48/09/532404809.db2.gz VNUJEGBFURUJCO-SNVBAGLBSA-N 1 1 377.304 2.048 20 0 GEADMO COc1cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)sc1Br ZINC000372729841 532404816 /nfs/dbraw/zinc/40/48/16/532404816.db2.gz VNUJEGBFURUJCO-SNVBAGLBSA-N 1 1 377.304 2.048 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000372726218 532405036 /nfs/dbraw/zinc/40/50/36/532405036.db2.gz MMRPAOVBKUJOGU-ZDUSSCGKSA-N 1 1 394.313 2.388 20 0 GEADMO COc1cc(Br)ccc1C[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000679749699 532408013 /nfs/dbraw/zinc/40/80/13/532408013.db2.gz FYGGTQWVSYPTNI-NHYWBVRUSA-N 1 1 393.285 2.475 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000280234988 532409354 /nfs/dbraw/zinc/40/93/54/532409354.db2.gz ONTQURAALPLHSH-CQSZACIVSA-N 1 1 375.922 2.304 20 0 GEADMO COc1cc(Br)ccc1C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000679749594 532408412 /nfs/dbraw/zinc/40/84/12/532408412.db2.gz APUHXBUIQHKJME-HNNXBMFYSA-N 1 1 383.286 2.327 20 0 GEADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000625128016 532410780 /nfs/dbraw/zinc/41/07/80/532410780.db2.gz FOGREMLMGNZETL-UHFFFAOYSA-N 1 1 380.535 2.430 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000560115995 532415754 /nfs/dbraw/zinc/41/57/54/532415754.db2.gz JTIMKNVRUAZVHV-INIZCTEOSA-N 1 1 381.318 2.375 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000517378242 532415866 /nfs/dbraw/zinc/41/58/66/532415866.db2.gz HWQBACZRWVPWEE-CYBMUJFWSA-N 1 1 399.333 2.207 20 0 GEADMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000295194787 532416371 /nfs/dbraw/zinc/41/63/71/532416371.db2.gz RPTFIMWEXVSWBX-UHFFFAOYSA-N 1 1 380.695 2.038 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560108015 532416580 /nfs/dbraw/zinc/41/65/80/532416580.db2.gz XMZLKAUJWQHIFE-UHFFFAOYSA-N 1 1 384.318 2.485 20 0 GEADMO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680637310 532419708 /nfs/dbraw/zinc/41/97/08/532419708.db2.gz GBYDLGNMMNYYCE-OLZOCXBDSA-N 1 1 388.295 2.269 20 0 GEADMO C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000560538283 532419728 /nfs/dbraw/zinc/41/97/28/532419728.db2.gz VWBXDYGONHHVPE-BPUTZDHNSA-N 1 1 389.924 2.220 20 0 GEADMO C[N@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000560538283 532419735 /nfs/dbraw/zinc/41/97/35/532419735.db2.gz VWBXDYGONHHVPE-BPUTZDHNSA-N 1 1 389.924 2.220 20 0 GEADMO C[N@@H+](CC1(O)CCOCC1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625358214 532421417 /nfs/dbraw/zinc/42/14/17/532421417.db2.gz LFAICRVLKRWOIX-HNNXBMFYSA-N 1 1 383.286 2.176 20 0 GEADMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000649695977 532421970 /nfs/dbraw/zinc/42/19/70/532421970.db2.gz PNMNEBKZPRYKTC-ZDUSSCGKSA-N 1 1 392.352 2.397 20 0 GEADMO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000625419868 532425226 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C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)S(C)(=O)=O ZINC000411460758 532762671 /nfs/dbraw/zinc/76/26/71/532762671.db2.gz SCCAOHOWFXEEFB-UWVGGRQHSA-N 1 1 378.288 2.304 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620484664 532762794 /nfs/dbraw/zinc/76/27/94/532762794.db2.gz MNIHDHCCRWMDIX-ZFWWWQNUSA-N 1 1 397.313 2.274 20 0 GEADMO COc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)sc1Br ZINC000620481942 532762923 /nfs/dbraw/zinc/76/29/23/532762923.db2.gz YUYOIBNJSMYWBH-LLVKDONJSA-N 1 1 389.315 2.190 20 0 GEADMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000268391934 532763132 /nfs/dbraw/zinc/76/31/32/532763132.db2.gz QPROMGUJCRULRL-UHFFFAOYSA-N 1 1 385.555 2.316 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@H+]1C ZINC000504613747 532748241 /nfs/dbraw/zinc/74/82/41/532748241.db2.gz KVLBVXWQRSSNGC-MWLCHTKSSA-N 1 1 375.803 2.479 20 0 GEADMO CCN1CC[NH+](CCC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000616078909 532748694 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COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1C ZINC000444706013 532750771 /nfs/dbraw/zinc/75/07/71/532750771.db2.gz BJSUTFRGLNTIJL-LBPRGKRZSA-N 1 1 386.290 2.050 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000444725665 532750858 /nfs/dbraw/zinc/75/08/58/532750858.db2.gz HFMBXJCRPHUTQN-DMDPSCGWSA-N 1 1 376.341 2.423 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000444725665 532750861 /nfs/dbraw/zinc/75/08/61/532750861.db2.gz HFMBXJCRPHUTQN-DMDPSCGWSA-N 1 1 376.341 2.423 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000616163878 532751188 /nfs/dbraw/zinc/75/11/88/532751188.db2.gz XSNRCYAIYOYMBK-AWEZNQCLSA-N 1 1 396.329 2.188 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000616163878 532751194 /nfs/dbraw/zinc/75/11/94/532751194.db2.gz XSNRCYAIYOYMBK-AWEZNQCLSA-N 1 1 396.329 2.188 20 0 GEADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(F)c1Br ZINC000411256590 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CC(C)C[N@H+]1Cc2cccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cn3)c2C1 ZINC000824262321 608621729 /nfs/dbraw/zinc/62/17/29/608621729.db2.gz ZMRCBWQOEOJEDR-UHFFFAOYSA-N 1 1 392.467 2.284 20 0 GEADMO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[N@@H+]3CCC4(C3)OCCO4)c2)c1 ZINC000826515561 608678954 /nfs/dbraw/zinc/67/89/54/608678954.db2.gz CFYSVYRGJIRVSJ-UHFFFAOYSA-N 1 1 393.447 2.395 20 0 GEADMO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[N@H+]3CCC4(C3)OCCO4)c2)c1 ZINC000826515561 608678957 /nfs/dbraw/zinc/67/89/57/608678957.db2.gz CFYSVYRGJIRVSJ-UHFFFAOYSA-N 1 1 393.447 2.395 20 0 GEADMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000826265335 608687909 /nfs/dbraw/zinc/68/79/09/608687909.db2.gz VMKNPNBAOJTDIX-KRWDZBQOSA-N 1 1 391.483 2.382 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000825961570 608688756 /nfs/dbraw/zinc/68/87/56/608688756.db2.gz JBDRKUGYCNRLGM-AWEZNQCLSA-N 1 1 390.538 2.495 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825980665 608729583 /nfs/dbraw/zinc/72/95/83/608729583.db2.gz FPUWIPWQUQKDRN-GOSISDBHSA-N 1 1 388.479 2.221 20 0 GEADMO C[C@@H](c1cccc(F)c1)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772051 608798225 /nfs/dbraw/zinc/79/82/25/608798225.db2.gz SUQRQOWCGDUCLH-MGPUTAFESA-N 1 1 396.470 2.418 20 0 GEADMO C[C@@H]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CCO1 ZINC000824892117 608800255 /nfs/dbraw/zinc/80/02/55/608800255.db2.gz DSNDJQOJGOBYRP-NXEZZACHSA-N 1 1 376.367 2.418 20 0 GEADMO CC[C@@H](C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)c1ccccc1 ZINC000825121850 608834175 /nfs/dbraw/zinc/83/41/75/608834175.db2.gz VZDNIBVCGWNPIM-HOTGVXAUSA-N 1 1 378.484 2.361 20 0 GEADMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1C1CC1 ZINC000824998959 608837735 /nfs/dbraw/zinc/83/77/35/608837735.db2.gz AZWFZSPXABWRND-CQSZACIVSA-N 1 1 376.468 2.245 20 0 GEADMO COCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826162642 608853151 /nfs/dbraw/zinc/85/31/51/608853151.db2.gz LQQUJYKFWULVNR-HXUWFJFHSA-N 1 1 395.463 2.465 20 0 GEADMO COCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826162642 608853154 /nfs/dbraw/zinc/85/31/54/608853154.db2.gz LQQUJYKFWULVNR-HXUWFJFHSA-N 1 1 395.463 2.465 20 0 GEADMO c1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4-c4nn[nH]n4)CC3)C2)cc1 ZINC000826521752 608873032 /nfs/dbraw/zinc/87/30/32/608873032.db2.gz XQBVARUEYIDVCF-LJQANCHMSA-N 1 1 389.507 2.263 20 0 GEADMO Fc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826375050 609141691 /nfs/dbraw/zinc/14/16/91/609141691.db2.gz XLGZVWLZQFDJHN-UHFFFAOYSA-N 1 1 388.491 2.330 20 0 GEADMO C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577003 609146041 /nfs/dbraw/zinc/14/60/41/609146041.db2.gz FTLOJYYSSDHRFI-VFNWGFHPSA-N 1 1 396.470 2.293 20 0 GEADMO c1[nH]c(CNc2nc(N3CCCC3)cc[nH+]2)nc1-c1cccc(-c2nn[nH]n2)c1 ZINC000826512608 609166897 /nfs/dbraw/zinc/16/68/97/609166897.db2.gz HDYURHCWDQZGHV-UHFFFAOYSA-N 1 1 388.439 2.259 20 0 GEADMO [NH3+][C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000446405711 649979572 /nfs/dbraw/zinc/97/95/72/649979572.db2.gz MCBAAQBQHUJMPZ-ZJUUUORDSA-N 1 1 384.221 2.167 20 0 GEADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC000825980490 609207067 /nfs/dbraw/zinc/20/70/67/609207067.db2.gz BJDBNSWISSFXCR-UHFFFAOYSA-N 1 1 379.468 2.179 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825416111 609219722 /nfs/dbraw/zinc/21/97/22/609219722.db2.gz HMZYYVXFHMTAKH-INIZCTEOSA-N 1 1 379.468 2.179 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000824985340 609224848 /nfs/dbraw/zinc/22/48/48/609224848.db2.gz VRNGDJSHZMTJMN-UOIKSKOESA-N 1 1 379.468 2.081 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824936017 609231038 /nfs/dbraw/zinc/23/10/38/609231038.db2.gz DMNDCHOPMNYCNA-GJYPPUQNSA-N 1 1 398.511 2.013 20 0 GEADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824662590 609246800 /nfs/dbraw/zinc/24/68/00/609246800.db2.gz NRCFVOAIMNZHSN-AUUYWEPGSA-N 1 1 391.479 2.490 20 0 GEADMO C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825953936 609283191 /nfs/dbraw/zinc/28/31/91/609283191.db2.gz SCFZTAPTQOZTPJ-CYBMUJFWSA-N 1 1 393.369 2.156 20 0 GEADMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000826349309 609284218 /nfs/dbraw/zinc/28/42/18/609284218.db2.gz DDWHISRHMPDTRF-CQSZACIVSA-N 1 1 390.513 2.375 20 0 GEADMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825328732 609313065 /nfs/dbraw/zinc/31/30/65/609313065.db2.gz WQPPLQIWBSCXLH-AWEZNQCLSA-N 1 1 384.419 2.004 20 0 GEADMO C[C@@H]1CCC[N@H+](CCNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824946720 609336545 /nfs/dbraw/zinc/33/65/45/609336545.db2.gz JZWNOCSQXOLJQA-OAHLLOKOSA-N 1 1 380.500 2.089 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824946720 609336546 /nfs/dbraw/zinc/33/65/46/609336546.db2.gz JZWNOCSQXOLJQA-OAHLLOKOSA-N 1 1 380.500 2.089 20 0 GEADMO CN(C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000825884167 609341103 /nfs/dbraw/zinc/34/11/03/609341103.db2.gz UGBFMFWTOSIVEI-UHFFFAOYSA-N 1 1 395.496 2.080 20 0 GEADMO Cn1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825856058 609341355 /nfs/dbraw/zinc/34/13/55/609341355.db2.gz MMGGAASNTXVJSF-ROUUACIJSA-N 1 1 380.500 2.230 20 0 GEADMO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000826266409 609342759 /nfs/dbraw/zinc/34/27/59/609342759.db2.gz NWEBSHNFXOJQBA-LBPRGKRZSA-N 1 1 377.456 2.020 20 0 GEADMO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1=O ZINC000826220696 609344192 /nfs/dbraw/zinc/34/41/92/609344192.db2.gz WOQFITCAAWZYRN-MLGOLLRUSA-N 1 1 396.426 2.471 20 0 GEADMO CCOC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825499972 609356168 /nfs/dbraw/zinc/35/61/68/609356168.db2.gz ZGCRKWRZLMNWBE-UHFFFAOYSA-N 1 1 394.273 2.404 20 0 GEADMO C[NH+](C)CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825858962 609359395 /nfs/dbraw/zinc/35/93/95/609359395.db2.gz BPDCPDWOYFBSKP-UHFFFAOYSA-N 1 1 379.306 2.403 20 0 GEADMO CN(Cc1ccc(-c2nn[nH]n2)cc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000825962322 609361628 /nfs/dbraw/zinc/36/16/28/609361628.db2.gz WQLBXLQVCYJXNR-CQSZACIVSA-N 1 1 377.290 2.298 20 0 GEADMO C[C@@H]1CC[C@@]2(CC[N@H+]([C@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915525 609367425 /nfs/dbraw/zinc/36/74/25/609367425.db2.gz FTUSHXLSHSEZIP-JOTOCRJQSA-N 1 1 380.452 2.011 20 0 GEADMO CC1([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)OCCO1 ZINC000824817443 609501677 /nfs/dbraw/zinc/50/16/77/609501677.db2.gz OEOUIPUNAISNTM-QGZVFWFLSA-N 1 1 395.467 2.163 20 0 GEADMO Cc1ccnc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1-c1nn[nH]n1 ZINC000826314071 609540591 /nfs/dbraw/zinc/54/05/91/609540591.db2.gz DWVJCCPKBBLBNJ-HNNXBMFYSA-N 1 1 379.468 2.403 20 0 GEADMO Cc1ccnc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1-c1nn[nH]n1 ZINC000826314071 609540592 /nfs/dbraw/zinc/54/05/92/609540592.db2.gz DWVJCCPKBBLBNJ-HNNXBMFYSA-N 1 1 379.468 2.403 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C1CCCCC1 ZINC000825942144 609543545 /nfs/dbraw/zinc/54/35/45/609543545.db2.gz YNLJOTDXOIENMS-UHFFFAOYSA-N 1 1 398.920 2.063 20 0 GEADMO O=C1[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476997 609600874 /nfs/dbraw/zinc/60/08/74/609600874.db2.gz SYWZEWNYFZUOQR-KRWDZBQOSA-N 1 1 388.435 2.028 20 0 GEADMO COC1(CO)CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000447092042 649997374 /nfs/dbraw/zinc/99/73/74/649997374.db2.gz XENOBLVHKJCHAQ-UHFFFAOYSA-N 1 1 399.329 2.259 20 0 GEADMO C[N@H+]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447049360 649996067 /nfs/dbraw/zinc/99/60/67/649996067.db2.gz DMYAJBISEPZGSC-UHFFFAOYSA-N 1 1 392.301 2.482 20 0 GEADMO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1cc(OC)ccc1Br ZINC000447322189 650005253 /nfs/dbraw/zinc/00/52/53/650005253.db2.gz WRGBVEJQLFELSW-TZMCWYRMSA-N 1 1 376.291 2.302 20 0 GEADMO COC[C@@H](C)OC[C@H](O)C[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000447322189 650005256 /nfs/dbraw/zinc/00/52/56/650005256.db2.gz WRGBVEJQLFELSW-TZMCWYRMSA-N 1 1 376.291 2.302 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448121600 650013549 /nfs/dbraw/zinc/01/35/49/650013549.db2.gz HWPQFVUDGTXMPO-UHFFFAOYSA-N 1 1 381.278 2.492 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000448319138 650015184 /nfs/dbraw/zinc/01/51/84/650015184.db2.gz DLBYXHDFNYCBIO-GFCCVEGCSA-N 1 1 383.290 2.019 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1-n1cc(Br)cn1 ZINC000448723085 650019862 /nfs/dbraw/zinc/01/98/62/650019862.db2.gz GIEUPEXBHBOQQW-KGLIPLIRSA-N 1 1 390.285 2.386 20 0 GEADMO Cc1ccc(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000448872672 650024500 /nfs/dbraw/zinc/02/45/00/650024500.db2.gz IWBCOEIABMKTNQ-HNNXBMFYSA-N 1 1 396.329 2.004 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448877336 650024708 /nfs/dbraw/zinc/02/47/08/650024708.db2.gz FFHKOCZEAURHCE-LBPRGKRZSA-N 1 1 380.290 2.490 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@@H+](C)C(C)C ZINC000449114370 650032044 /nfs/dbraw/zinc/03/20/44/650032044.db2.gz ZGXWIUIVQYSEJI-ZDUSSCGKSA-N 1 1 386.334 2.392 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCN(C)C(C)C ZINC000449114370 650032046 /nfs/dbraw/zinc/03/20/46/650032046.db2.gz ZGXWIUIVQYSEJI-ZDUSSCGKSA-N 1 1 386.334 2.392 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449035653 650030623 /nfs/dbraw/zinc/03/06/23/650030623.db2.gz HJMAICFYIKZLNZ-HNNXBMFYSA-N 1 1 384.293 2.327 20 0 GEADMO CCC(CC)[C@H](CNC(=O)c1c(Br)cnn1C)[NH+]1CCOCC1 ZINC000449226770 650034756 /nfs/dbraw/zinc/03/47/56/650034756.db2.gz YHCQVQRCWGXBJV-AWEZNQCLSA-N 1 1 387.322 2.049 20 0 GEADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449246747 650035733 /nfs/dbraw/zinc/03/57/33/650035733.db2.gz 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C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514146331 650573956 /nfs/dbraw/zinc/57/39/56/650573956.db2.gz WVLUTEBNTPDRPF-CQSZACIVSA-N 1 1 380.330 2.360 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000514679542 650576636 /nfs/dbraw/zinc/57/66/36/650576636.db2.gz KYOCUTCRCIGVPY-JTQLQIEISA-N 1 1 388.693 2.499 20 0 GEADMO C[C@H]1C[C@@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000514714084 650577370 /nfs/dbraw/zinc/57/73/70/650577370.db2.gz MAZORPLLKRKTKX-NWDGAFQWSA-N 1 1 382.306 2.373 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1ccccc1Cl)c1ccsc1 ZINC000514827486 650580522 /nfs/dbraw/zinc/58/05/22/650580522.db2.gz OCIGIEXZEYDZNQ-INIZCTEOSA-N 1 1 379.913 2.479 20 0 GEADMO C[C@@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)CN1CC[NH+](C)CC1 ZINC000514938089 650583731 /nfs/dbraw/zinc/58/37/31/650583731.db2.gz DXRMQKDGSSFFFD-KSSFIOAISA-N 1 1 394.357 2.479 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@H+]1CC[C@@H](C)C1 ZINC000515205136 650589291 /nfs/dbraw/zinc/58/92/91/650589291.db2.gz FQQXHRXFFOWAQR-KGLIPLIRSA-N 1 1 398.345 2.394 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000515205136 650589293 /nfs/dbraw/zinc/58/92/93/650589293.db2.gz FQQXHRXFFOWAQR-KGLIPLIRSA-N 1 1 398.345 2.394 20 0 GEADMO C[N@@H+](C[C@H](O)CNC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256034 650590486 /nfs/dbraw/zinc/59/04/86/650590486.db2.gz RDXGDICXUUMNOK-QGZVFWFLSA-N 1 1 383.330 2.500 20 0 GEADMO CN(C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256034 650590487 /nfs/dbraw/zinc/59/04/87/650590487.db2.gz RDXGDICXUUMNOK-QGZVFWFLSA-N 1 1 383.330 2.500 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000515722006 650593582 /nfs/dbraw/zinc/59/35/82/650593582.db2.gz DUNBTBBMRKFUPT-JTQLQIEISA-N 1 1 379.324 2.024 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000515731656 650593804 /nfs/dbraw/zinc/59/38/04/650593804.db2.gz NQPKBLYIKXCBIP-CYBMUJFWSA-N 1 1 386.470 2.255 20 0 GEADMO COc1c(Br)cc(CNC[C@@H]2C[NH2+]CCO2)cc1Br ZINC000556963677 651258392 /nfs/dbraw/zinc/25/83/92/651258392.db2.gz WTXFHRDAQXQQLD-JTQLQIEISA-N 1 1 394.107 2.298 20 0 GEADMO C[C@H]1[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000516508114 650597815 /nfs/dbraw/zinc/59/78/15/650597815.db2.gz YENGWRNOJHEBMX-WFASDCNBSA-N 1 1 380.901 2.259 20 0 GEADMO C[C@H]1[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000516508114 650597818 /nfs/dbraw/zinc/59/78/18/650597818.db2.gz YENGWRNOJHEBMX-WFASDCNBSA-N 1 1 380.901 2.259 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000479323285 650601245 /nfs/dbraw/zinc/60/12/45/650601245.db2.gz PWHHYNULFOSJED-ZDUSSCGKSA-N 1 1 386.265 2.381 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC[N@H+]1C ZINC000479331279 650601540 /nfs/dbraw/zinc/60/15/40/650601540.db2.gz BEJOXZZRBLOLSG-VXGBXAGGSA-N 1 1 390.347 2.497 20 0 GEADMO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413125 650604895 /nfs/dbraw/zinc/60/48/95/650604895.db2.gz VGLSKRSDAOMKIH-YPMHNXCESA-N 1 1 380.341 2.202 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413125 650604897 /nfs/dbraw/zinc/60/48/97/650604897.db2.gz VGLSKRSDAOMKIH-YPMHNXCESA-N 1 1 380.341 2.202 20 0 GEADMO C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[N@@H+](C)C1CC1 ZINC000519610610 650609687 /nfs/dbraw/zinc/60/96/87/650609687.db2.gz RGWAITNSJDSDFK-QMTHXVAHSA-N 1 1 380.286 2.474 20 0 GEADMO OCC[NH+]1CCN(CCCCNc2ncc(Cl)cc2Br)CC1 ZINC000480009458 650614410 /nfs/dbraw/zinc/61/44/10/650614410.db2.gz BWHVVSWPUKJZJA-UHFFFAOYSA-N 1 1 391.741 2.300 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000521943268 650620486 /nfs/dbraw/zinc/62/04/86/650620486.db2.gz RXWYTDUEOAOSIR-NSHDSACASA-N 1 1 379.320 2.465 20 0 GEADMO C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000480503443 650623502 /nfs/dbraw/zinc/62/35/02/650623502.db2.gz SKYKGTYLSUNLOO-PXAZEXFGSA-N 1 1 375.296 2.296 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)c2cn([C@H]3CCOC3)nn2)cc1Br ZINC000480511047 650623804 /nfs/dbraw/zinc/62/38/04/650623804.db2.gz JKJZKAQBGLCFLJ-ZDUSSCGKSA-N 1 1 394.273 2.316 20 0 GEADMO CNC(=O)CCOC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480578693 650625047 /nfs/dbraw/zinc/62/50/47/650625047.db2.gz KTQOIOJMGYAZBZ-UHFFFAOYSA-N 1 1 395.301 2.443 20 0 GEADMO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000480807613 650633124 /nfs/dbraw/zinc/63/31/24/650633124.db2.gz UTFOELIXARDRBU-QMTHXVAHSA-N 1 1 389.315 2.219 20 0 GEADMO CC[N@@H+](CCNC(=O)COc1ccc(I)cc1)C1CC1 ZINC000523608812 650636506 /nfs/dbraw/zinc/63/65/06/650636506.db2.gz FCQVDRDWYSBDSY-UHFFFAOYSA-N 1 1 388.249 2.271 20 0 GEADMO Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1Cl ZINC000481295886 650643774 /nfs/dbraw/zinc/64/37/74/650643774.db2.gz OJHZGJJQJVBUDU-GJZGRUSLSA-N 1 1 379.309 2.395 20 0 GEADMO Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000481295886 650643777 /nfs/dbraw/zinc/64/37/77/650643777.db2.gz OJHZGJJQJVBUDU-GJZGRUSLSA-N 1 1 379.309 2.395 20 0 GEADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N(Cc1cccc(Br)c1)C1CC1 ZINC000481553066 650648714 /nfs/dbraw/zinc/64/87/14/650648714.db2.gz XOOKWTNTEYYKFW-QGZVFWFLSA-N 1 1 378.314 2.330 20 0 GEADMO COc1cc(C[N@@H+](C)CCCS(=O)(=O)N(C)C)c(SC)cc1OC ZINC000524970752 650648942 /nfs/dbraw/zinc/64/89/42/650648942.db2.gz QJCUDGSFZSYNQY-UHFFFAOYSA-N 1 1 376.544 2.139 20 0 GEADMO C[N@@H+](CCN1CCN(c2ncncc2Br)CC1)Cc1ccccc1 ZINC000481698654 650651485 /nfs/dbraw/zinc/65/14/85/650651485.db2.gz VACQOIDXPHMXMG-UHFFFAOYSA-N 1 1 390.329 2.493 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000481712564 650651693 /nfs/dbraw/zinc/65/16/93/650651693.db2.gz IYMCDJBVNXUJQO-ZDUSSCGKSA-N 1 1 397.317 2.419 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525674575 650655719 /nfs/dbraw/zinc/65/57/19/650655719.db2.gz ZQXHISQHAJOJAI-HNNXBMFYSA-N 1 1 398.345 2.360 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525850370 650659707 /nfs/dbraw/zinc/65/97/07/650659707.db2.gz SRWDIJNHCCCLMC-CVEARBPZSA-N 1 1 382.302 2.327 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000525951788 650661483 /nfs/dbraw/zinc/66/14/83/650661483.db2.gz OZXIOJSBTNRWPR-ZDUSSCGKSA-N 1 1 377.432 2.453 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000526026440 650663323 /nfs/dbraw/zinc/66/33/23/650663323.db2.gz ULFIZYWLOHIQMP-INIZCTEOSA-N 1 1 392.297 2.180 20 0 GEADMO C[N@@H+](CC(=O)NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCSC1 ZINC000482790334 650668354 /nfs/dbraw/zinc/66/83/54/650668354.db2.gz AOBOUHXCRNDPOO-CYBMUJFWSA-N 1 1 377.432 2.423 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000527043747 650665880 /nfs/dbraw/zinc/66/58/80/650665880.db2.gz LXQAOAYBOMAZIR-KGLIPLIRSA-N 1 1 390.933 2.374 20 0 GEADMO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000482926260 650671563 /nfs/dbraw/zinc/67/15/63/650671563.db2.gz IXTOTSWDOOXMOV-JSGCOSHPSA-N 1 1 383.539 2.421 20 0 GEADMO CCn1nccc1C[N@H+](CCO)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000482926883 650671615 /nfs/dbraw/zinc/67/16/15/650671615.db2.gz ZWUJYMLFJYORPF-AWEZNQCLSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000482926883 650671617 /nfs/dbraw/zinc/67/16/17/650671617.db2.gz ZWUJYMLFJYORPF-AWEZNQCLSA-N 1 1 388.295 2.444 20 0 GEADMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000483309188 650676424 /nfs/dbraw/zinc/67/64/24/650676424.db2.gz OEWUKDQXXYIWKQ-BLLLJJGKSA-N 1 1 375.296 2.424 20 0 GEADMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000483309188 650676427 /nfs/dbraw/zinc/67/64/27/650676427.db2.gz OEWUKDQXXYIWKQ-BLLLJJGKSA-N 1 1 375.296 2.424 20 0 GEADMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306696 650676447 /nfs/dbraw/zinc/67/64/47/650676447.db2.gz KBDIIKQKRKHTHU-ZWNOBZJWSA-N 1 1 378.803 2.352 20 0 GEADMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306696 650676450 /nfs/dbraw/zinc/67/64/50/650676450.db2.gz KBDIIKQKRKHTHU-ZWNOBZJWSA-N 1 1 378.803 2.352 20 0 GEADMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306689 650676542 /nfs/dbraw/zinc/67/65/42/650676542.db2.gz KBDIIKQKRKHTHU-GWCFXTLKSA-N 1 1 378.803 2.352 20 0 GEADMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000483306689 650676544 /nfs/dbraw/zinc/67/65/44/650676544.db2.gz KBDIIKQKRKHTHU-GWCFXTLKSA-N 1 1 378.803 2.352 20 0 GEADMO C[NH+]1CCN(C(=O)CCN2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527624936 650681290 /nfs/dbraw/zinc/68/12/90/650681290.db2.gz OARIGRBULXETRN-UHFFFAOYSA-N 1 1 384.293 2.110 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000483926107 650683072 /nfs/dbraw/zinc/68/30/72/650683072.db2.gz QJYAUILSQSEMGY-SNVBAGLBSA-N 1 1 384.249 2.188 20 0 GEADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC1 ZINC000484271706 650686699 /nfs/dbraw/zinc/68/66/99/650686699.db2.gz LPBLGHHOKQQQIN-UHFFFAOYSA-N 1 1 386.265 2.389 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1Br ZINC000484424025 650686942 /nfs/dbraw/zinc/68/69/42/650686942.db2.gz QJYPOUIMVXLWLL-MNOVXSKESA-N 1 1 386.265 2.386 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1Br ZINC000484424025 650686945 /nfs/dbraw/zinc/68/69/45/650686945.db2.gz QJYPOUIMVXLWLL-MNOVXSKESA-N 1 1 386.265 2.386 20 0 GEADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528337411 650689108 /nfs/dbraw/zinc/68/91/08/650689108.db2.gz XKMBCUCRXVQHHH-MNOVXSKESA-N 1 1 382.404 2.355 20 0 GEADMO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000528339156 650689308 /nfs/dbraw/zinc/68/93/08/650689308.db2.gz MXLRUWKIRSBMQL-NSHDSACASA-N 1 1 382.404 2.214 20 0 GEADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000484170263 650685707 /nfs/dbraw/zinc/68/57/07/650685707.db2.gz BZVNXYOBZPGGLO-UHFFFAOYSA-N 1 1 394.191 2.228 20 0 GEADMO C[C@@]1(Br)C[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000528430077 650693488 /nfs/dbraw/zinc/69/34/88/650693488.db2.gz VSIQPISNJGISJC-SJLPKXTDSA-N 1 1 396.329 2.306 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485200295 650694145 /nfs/dbraw/zinc/69/41/45/650694145.db2.gz DFIWEDUBLNFDAI-UHFFFAOYSA-N 1 1 382.917 2.414 20 0 GEADMO COC(=O)c1cc(NC(=O)NCC[NH+]2CCSCC2)cc(Cl)c1F ZINC000485299056 650695068 /nfs/dbraw/zinc/69/50/68/650695068.db2.gz OSMGFUAERBERGR-UHFFFAOYSA-N 1 1 375.853 2.436 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[C@]2(C)Br)c2cccs2)CC1 ZINC000528554637 650696656 /nfs/dbraw/zinc/69/66/56/650696656.db2.gz XCBOLWDRGZKOHP-IOASZLSFSA-N 1 1 386.359 2.326 20 0 GEADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000528647646 650697291 /nfs/dbraw/zinc/69/72/91/650697291.db2.gz GWTYAIHDWUCGHK-UWWQBHOKSA-N 1 1 380.330 2.487 20 0 GEADMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000485878992 650701710 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GEADMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000529753201 650706304 /nfs/dbraw/zinc/70/63/04/650706304.db2.gz PZAZOARVDQYUOG-JTQLQIEISA-N 1 1 376.245 2.152 20 0 GEADMO COc1nc(C)c(Br)cc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000486231145 650709437 /nfs/dbraw/zinc/70/94/37/650709437.db2.gz SOKQGOZUXFQSLA-LLVKDONJSA-N 1 1 386.290 2.002 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000486669565 650718562 /nfs/dbraw/zinc/71/85/62/650718562.db2.gz GMNJHHHNBFFUIP-IINYFYTJSA-N 1 1 377.279 2.303 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H]1COCC[NH2+]1 ZINC000530246523 650719380 /nfs/dbraw/zinc/71/93/80/650719380.db2.gz IQNXRIHCJJCUCO-HNNXBMFYSA-N 1 1 379.302 2.330 20 0 GEADMO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530536484 650725728 /nfs/dbraw/zinc/72/57/28/650725728.db2.gz WMADCNUACDGMKO-PMPSAXMXSA-N 1 1 388.917 2.204 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000487462588 650734048 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O=C(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)NCc1ccc(Cl)s1 ZINC000549541383 651098727 /nfs/dbraw/zinc/09/87/27/651098727.db2.gz PZUIFYNPICJSMI-UHFFFAOYSA-N 1 1 397.850 2.408 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3Br)OCO4)[C@H]2C1 ZINC000549827598 651101706 /nfs/dbraw/zinc/10/17/06/651101706.db2.gz CQOVNGMVMUMIMA-LSDHHAIUSA-N 1 1 383.286 2.473 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@@H]1C ZINC000549924514 651103436 /nfs/dbraw/zinc/10/34/36/651103436.db2.gz YQPDLESWRRVAPJ-CHWSQXEVSA-N 1 1 386.359 2.495 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000550451808 651111732 /nfs/dbraw/zinc/11/17/32/651111732.db2.gz PDHYFMRCNMYJQX-JSGCOSHPSA-N 1 1 381.929 2.290 20 0 GEADMO CCc1nc(CN(C)C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC000550656761 651113508 /nfs/dbraw/zinc/11/35/08/651113508.db2.gz JBWNTIPQYMZMEB-CQSZACIVSA-N 1 1 380.539 2.145 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nccs2)[C@H]1c1cccs1 ZINC000551543109 651128104 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651150520 /nfs/dbraw/zinc/15/05/20/651150520.db2.gz AYKIVONTZOQRJY-AWEZNQCLSA-N 1 1 384.307 2.395 20 0 GEADMO C[C@H]1C[N@@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)CCCO1 ZINC000552498731 651150972 /nfs/dbraw/zinc/15/09/72/651150972.db2.gz LONXDKPDNPUSDX-ZDUSSCGKSA-N 1 1 395.301 2.328 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000553050032 651162864 /nfs/dbraw/zinc/16/28/64/651162864.db2.gz WOERAQMQKCRJKK-HNNXBMFYSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)CC[N@H+](C2CCC2)C1 ZINC000553525429 651178950 /nfs/dbraw/zinc/17/89/50/651178950.db2.gz DLFFJKGUJGFLCJ-CQSZACIVSA-N 1 1 396.329 2.334 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(Br)cc43)C2)C1 ZINC000553794612 651188690 /nfs/dbraw/zinc/18/86/90/651188690.db2.gz PJYBEUWIWFBKBY-RDTXWAMCSA-N 1 1 392.297 2.429 20 0 GEADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1n[nH]cc1Br ZINC000553922418 651194365 /nfs/dbraw/zinc/19/43/65/651194365.db2.gz UBPMMBLJTIPTGD-UHFFFAOYSA-N 1 1 384.278 2.429 20 0 GEADMO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)S(C)(=O)=O ZINC000554484518 651205148 /nfs/dbraw/zinc/20/51/48/651205148.db2.gz HAZXPKHWYDSFDN-KSSFIOAISA-N 1 1 381.519 2.202 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555309759 651222548 /nfs/dbraw/zinc/22/25/48/651222548.db2.gz VTOZHBJBPLADFD-RISCZKNCSA-N 1 1 380.286 2.285 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1Br ZINC000556093021 651236515 /nfs/dbraw/zinc/23/65/15/651236515.db2.gz DAPXNILIJDEXCF-UHFFFAOYSA-N 1 1 380.290 2.012 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556137321 651237057 /nfs/dbraw/zinc/23/70/57/651237057.db2.gz KVVXZGTZBRMFHB-JHJVBQTASA-N 1 1 386.480 2.177 20 0 GEADMO COC(=O)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000556619104 651248082 /nfs/dbraw/zinc/24/80/82/651248082.db2.gz REQKBYIDZYUKAO-QWHCGFSZSA-N 1 1 385.302 2.123 20 0 GEADMO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556744052 651251199 /nfs/dbraw/zinc/25/11/99/651251199.db2.gz GMRICCCMUAKCPI-SNVBAGLBSA-N 1 1 378.274 2.361 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(F)c1Br ZINC000556810993 651253690 /nfs/dbraw/zinc/25/36/90/651253690.db2.gz NJUYHSNYVOBWIW-NSHDSACASA-N 1 1 386.265 2.293 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000557175606 651265980 /nfs/dbraw/zinc/26/59/80/651265980.db2.gz RNFPCHUTWPNADJ-INIZCTEOSA-N 1 1 386.265 2.227 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000557340873 651268700 /nfs/dbraw/zinc/26/87/00/651268700.db2.gz GSAPRHIKFBXRFY-OAHLLOKOSA-N 1 1 389.949 2.167 20 0 GEADMO O=S(=O)(NCCNc1[nH+]cnc2[nH]ccc21)c1cccc(Cl)c1Cl ZINC000557695023 651272960 /nfs/dbraw/zinc/27/29/60/651272960.db2.gz TVWPIWHCJCIFPK-UHFFFAOYSA-N 1 1 386.264 2.655 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000558627720 651283463 /nfs/dbraw/zinc/28/34/63/651283463.db2.gz UGDKINRCOANZCN-GJZGRUSLSA-N 1 1 384.307 2.377 20 0 GEADMO C[C@@H](O)C[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558740604 651283941 /nfs/dbraw/zinc/28/39/41/651283941.db2.gz AOHPAGOMCODTLR-BFYDXBDKSA-N 1 1 388.961 2.235 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000558741728 651283962 /nfs/dbraw/zinc/28/39/62/651283962.db2.gz KJEZQJODHWVUCE-CYBMUJFWSA-N 1 1 385.302 2.388 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000558741728 651283968 /nfs/dbraw/zinc/28/39/68/651283968.db2.gz KJEZQJODHWVUCE-CYBMUJFWSA-N 1 1 385.302 2.388 20 0 GEADMO CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558855828 651286933 /nfs/dbraw/zinc/28/69/33/651286933.db2.gz PNIIBSSNCNPHIG-OAHLLOKOSA-N 1 1 392.301 2.248 20 0 GEADMO CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558855828 651286937 /nfs/dbraw/zinc/28/69/37/651286937.db2.gz PNIIBSSNCNPHIG-OAHLLOKOSA-N 1 1 392.301 2.248 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000559617304 651299020 /nfs/dbraw/zinc/29/90/20/651299020.db2.gz CKNMJWJWZHFYOR-AWEZNQCLSA-N 1 1 382.302 2.056 20 0 GEADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1c(F)cccc1Br ZINC000560218772 651305048 /nfs/dbraw/zinc/30/50/48/651305048.db2.gz TUHCHRVYGRKTGG-UHFFFAOYSA-N 1 1 395.232 2.376 20 0 GEADMO CN1CCN(C[C@H](O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000561125993 651474456 /nfs/dbraw/zinc/47/44/56/651474456.db2.gz KCUPHZGXQUBBBF-MOPGFXCFSA-N 1 1 396.373 2.488 20 0 GEADMO CN1CCN(C[C@@H](O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000561125994 651474487 /nfs/dbraw/zinc/47/44/87/651474487.db2.gz KCUPHZGXQUBBBF-OALUTQOASA-N 1 1 396.373 2.488 20 0 GEADMO Ic1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc1 ZINC000720406045 651476079 /nfs/dbraw/zinc/47/60/79/651476079.db2.gz LTZBRKIYFIVWGV-MNOVXSKESA-N 1 1 376.267 2.073 20 0 GEADMO COc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1OC(F)F ZINC000603824600 651499782 /nfs/dbraw/zinc/49/97/82/651499782.db2.gz NZWZXQDMJXTHOI-UHFFFAOYSA-N 1 1 378.422 2.295 20 0 GEADMO COc1ncc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1Br ZINC000643800956 651503941 /nfs/dbraw/zinc/50/39/41/651503941.db2.gz IYJDVCVJDWYMEK-CQSZACIVSA-N 1 1 377.242 2.034 20 0 GEADMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604204856 651510282 /nfs/dbraw/zinc/51/02/82/651510282.db2.gz AXXUQLGZNLNYIX-AAEUAGOBSA-N 1 1 388.295 2.269 20 0 GEADMO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)n2)s1 ZINC000563251701 651520439 /nfs/dbraw/zinc/52/04/39/651520439.db2.gz MXUUUJGHEIGMTN-NSHDSACASA-N 1 1 379.511 2.032 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644123696 651521851 /nfs/dbraw/zinc/52/18/51/651521851.db2.gz HWRJEADBMPBWOQ-WFASDCNBSA-N 1 1 377.432 2.251 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644123696 651521852 /nfs/dbraw/zinc/52/18/52/651521852.db2.gz HWRJEADBMPBWOQ-WFASDCNBSA-N 1 1 377.432 2.251 20 0 GEADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCc1ccc(Br)cc1F ZINC000644128934 651522579 /nfs/dbraw/zinc/52/25/79/651522579.db2.gz BBCCDWUCWOIGTN-HNNXBMFYSA-N 1 1 395.276 2.427 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC[N@H+](C2CCC2)C1 ZINC000644263211 651528531 /nfs/dbraw/zinc/52/85/31/651528531.db2.gz LQUJZNAZWVHNMC-ZDUSSCGKSA-N 1 1 385.555 2.167 20 0 GEADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(Br)c[nH]1 ZINC000605138750 651529877 /nfs/dbraw/zinc/52/98/77/651529877.db2.gz HSAHOGNGNWHUIO-ZDUSSCGKSA-N 1 1 392.301 2.113 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644297550 651532012 /nfs/dbraw/zinc/53/20/12/651532012.db2.gz AWCXPEVQYGGTJJ-GZBFAFLISA-N 1 1 388.917 2.078 20 0 GEADMO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644298617 651532441 /nfs/dbraw/zinc/53/24/41/651532441.db2.gz FWJDGYXZCYCVDS-WCQYABFASA-N 1 1 389.315 2.172 20 0 GEADMO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644298506 651532675 /nfs/dbraw/zinc/53/26/75/651532675.db2.gz GEQHMPRVEXFXSX-MFKMUULPSA-N 1 1 377.279 2.221 20 0 GEADMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@@H]2C1 ZINC000644302972 651534034 /nfs/dbraw/zinc/53/40/34/651534034.db2.gz ZMJYPGPHLYZSDK-MWLCHTKSSA-N 1 1 379.707 2.427 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000563699249 651538093 /nfs/dbraw/zinc/53/80/93/651538093.db2.gz WHSWXNDXYILEIB-LBPRGKRZSA-N 1 1 388.295 2.041 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000606053314 651548422 /nfs/dbraw/zinc/54/84/22/651548422.db2.gz BSUDIFHGNGOYBE-LLVKDONJSA-N 1 1 386.265 2.373 20 0 GEADMO CN(C)c1ncccc1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644520948 651551879 /nfs/dbraw/zinc/55/18/79/651551879.db2.gz ARAIFJBQURRAOM-UHFFFAOYSA-N 1 1 398.326 2.474 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606370548 651552332 /nfs/dbraw/zinc/55/23/32/651552332.db2.gz IOUOUGARBWGPAK-UHFFFAOYSA-N 1 1 396.310 2.482 20 0 GEADMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000644562222 651554756 /nfs/dbraw/zinc/55/47/56/651554756.db2.gz CDJMXFJSBJJPKL-OAHLLOKOSA-N 1 1 390.355 2.349 20 0 GEADMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1)N1CCOCC1 ZINC000728912762 651554776 /nfs/dbraw/zinc/55/47/76/651554776.db2.gz WZABYDOVQVZIHT-NVXWUHKLSA-N 1 1 397.313 2.053 20 0 GEADMO O[C@H](C[NH2+][C@@H]1CCc2cn[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000644591773 651556716 /nfs/dbraw/zinc/55/67/16/651556716.db2.gz UVCQVGRCBPHSGF-ZIAGYGMSSA-N 1 1 384.249 2.198 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000606724529 651558028 /nfs/dbraw/zinc/55/80/28/651558028.db2.gz XBQTVYYTDWNOOD-NSHDSACASA-N 1 1 375.416 2.332 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000606753932 651558605 /nfs/dbraw/zinc/55/86/05/651558605.db2.gz JARHEJUWNXOVSK-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000606753932 651558606 /nfs/dbraw/zinc/55/86/06/651558606.db2.gz JARHEJUWNXOVSK-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C2=O)ccc1Br ZINC000644623031 651559159 /nfs/dbraw/zinc/55/91/59/651559159.db2.gz BYKHMIPOGSRISB-NWDGAFQWSA-N 1 1 381.192 2.376 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCOC[C@H]3C(F)(F)F)CC2)cs1 ZINC000606853322 651560738 /nfs/dbraw/zinc/56/07/38/651560738.db2.gz CAPZWTQWMFFJDJ-AWEZNQCLSA-N 1 1 377.432 2.453 20 0 GEADMO CC1CC[NH+]([C@@H](CNC(=S)NCCS(C)(=O)=O)c2cccs2)CC1 ZINC000729155437 651561517 /nfs/dbraw/zinc/56/15/17/651561517.db2.gz BYWBQFDUIJBLPB-AWEZNQCLSA-N 1 1 389.612 2.030 20 0 GEADMO C[C@]1(c2ccc(I)cc2)NC(=O)N(C[NH+]2CCCC2)C1=O ZINC000729464617 651569066 /nfs/dbraw/zinc/56/90/66/651569066.db2.gz XSONYXFUTRPXKK-OAHLLOKOSA-N 1 1 399.232 2.112 20 0 GEADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644785464 651569084 /nfs/dbraw/zinc/56/90/84/651569084.db2.gz YOJGEVIZQDILMN-IIYDPXPESA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1[C@H](N(C)CCO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644785464 651569088 /nfs/dbraw/zinc/56/90/88/651569088.db2.gz YOJGEVIZQDILMN-IIYDPXPESA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1[C@H](N(C)CCO)CC[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644785464 651569095 /nfs/dbraw/zinc/56/90/95/651569095.db2.gz YOJGEVIZQDILMN-IIYDPXPESA-N 1 1 377.312 2.120 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000644815548 651569853 /nfs/dbraw/zinc/56/98/53/651569853.db2.gz PQCVMLIXHZQQND-WFASDCNBSA-N 1 1 395.301 2.123 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000564622170 651570613 /nfs/dbraw/zinc/57/06/13/651570613.db2.gz CTYXOQILHZMRGL-RISCZKNCSA-N 1 1 380.286 2.333 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@H]2C1 ZINC000644816204 651570690 /nfs/dbraw/zinc/57/06/90/651570690.db2.gz USLJLIULLDWDKU-WBMJQRKESA-N 1 1 375.270 2.411 20 0 GEADMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000729682789 651574449 /nfs/dbraw/zinc/57/44/49/651574449.db2.gz LSGQAFQLDRKXQX-HNNXBMFYSA-N 1 1 388.965 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C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=S)NCCC[NH+]1CCOCC1 ZINC000747666540 652174236 /nfs/dbraw/zinc/17/42/36/652174236.db2.gz MBSWIJJNTMTABC-BZQUYTCOSA-N 1 1 383.583 2.014 20 0 GEADMO C[C@@H](CNC(=O)c1cc2c(cc1Br)OCO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000622128996 652184546 /nfs/dbraw/zinc/18/45/46/652184546.db2.gz OFDIJYJCQBVISF-SDDRHHMPSA-N 1 1 399.285 2.405 20 0 GEADMO C[C@@H](CNC(=O)c1cc2c(cc1Br)OCO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000622128996 652184565 /nfs/dbraw/zinc/18/45/65/652184565.db2.gz OFDIJYJCQBVISF-SDDRHHMPSA-N 1 1 399.285 2.405 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651489 652185954 /nfs/dbraw/zinc/18/59/54/652185954.db2.gz DXIAUURJUNRFHD-ZDUSSCGKSA-N 1 1 385.917 2.227 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1SC ZINC000657651488 652186101 /nfs/dbraw/zinc/18/61/01/652186101.db2.gz DXIAUURJUNRFHD-CYBMUJFWSA-N 1 1 385.917 2.227 20 0 GEADMO O=c1ccn(C[N@@H+]2CCN(C3CC3)C(=O)C2)c2c(Br)cccc12 ZINC000748263724 652197436 /nfs/dbraw/zinc/19/74/36/652197436.db2.gz LXEILPZAWNSUIL-UHFFFAOYSA-N 1 1 376.254 2.028 20 0 GEADMO O=c1ccn(C[N@H+]2CCN(C3CC3)C(=O)C2)c2c(Br)cccc12 ZINC000748263724 652197441 /nfs/dbraw/zinc/19/74/41/652197441.db2.gz LXEILPZAWNSUIL-UHFFFAOYSA-N 1 1 376.254 2.028 20 0 GEADMO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)sc1C(F)(F)F ZINC000577580476 652198098 /nfs/dbraw/zinc/19/80/98/652198098.db2.gz JYKYOUJLRYZOHE-JTQLQIEISA-N 1 1 378.420 2.350 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000577588790 652198790 /nfs/dbraw/zinc/19/87/90/652198790.db2.gz XJSBKZCNCIMLJK-JTQLQIEISA-N 1 1 388.693 2.499 20 0 GEADMO C[C@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@@H+]1C ZINC000748344424 652200378 /nfs/dbraw/zinc/20/03/78/652200378.db2.gz AILGVTHQUJJJLZ-LBPRGKRZSA-N 1 1 378.523 2.091 20 0 GEADMO C[C@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[N@H+]1C ZINC000748344424 652200389 /nfs/dbraw/zinc/20/03/89/652200389.db2.gz AILGVTHQUJJJLZ-LBPRGKRZSA-N 1 1 378.523 2.091 20 0 GEADMO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000657778819 652204602 /nfs/dbraw/zinc/20/46/02/652204602.db2.gz VTAIRBQGGIGCML-SMDDNHRTSA-N 1 1 398.276 2.388 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3F)[C@H]2C1 ZINC000657777913 652204826 /nfs/dbraw/zinc/20/48/26/652204826.db2.gz FIEWEHNGAWQWEI-MFKMUULPSA-N 1 1 384.249 2.079 20 0 GEADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657859976 652211299 /nfs/dbraw/zinc/21/12/99/652211299.db2.gz ZTFIXIGLWCAKTQ-SMDDNHRTSA-N 1 1 398.276 2.469 20 0 GEADMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000623020172 652215738 /nfs/dbraw/zinc/21/57/38/652215738.db2.gz AYVQVFAJDWLXSZ-TXEJJXNPSA-N 1 1 386.290 2.169 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000748844546 652220402 /nfs/dbraw/zinc/22/04/02/652220402.db2.gz SBABROXOTQFWIL-CYBMUJFWSA-N 1 1 392.301 2.490 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(Br)c3F)C2)C1 ZINC000657966614 652222798 /nfs/dbraw/zinc/22/27/98/652222798.db2.gz NFACUGBZLWGINU-INIZCTEOSA-N 1 1 384.249 2.081 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000658120478 652237101 /nfs/dbraw/zinc/23/71/01/652237101.db2.gz ISWYOJRRWMTUEQ-LLVKDONJSA-N 1 1 383.290 2.019 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1Br ZINC000658120814 652237784 /nfs/dbraw/zinc/23/77/84/652237784.db2.gz JNLUOROJWPWZRU-GFCCVEGCSA-N 1 1 397.317 2.328 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658126441 652238322 /nfs/dbraw/zinc/23/83/22/652238322.db2.gz PRRYCXRFYGGTQB-ZDUSSCGKSA-N 1 1 398.301 2.385 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000658122992 652238393 /nfs/dbraw/zinc/23/83/93/652238393.db2.gz YQYYBUOAPDYUTJ-VIFPVBQESA-N 1 1 378.420 2.337 20 0 GEADMO CS(=O)(=O)C1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCCC1 ZINC000658201336 652243357 /nfs/dbraw/zinc/24/33/57/652243357.db2.gz NCTDPEGXRLOCQZ-HNNXBMFYSA-N 1 1 389.514 2.381 20 0 GEADMO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000749275008 652243590 /nfs/dbraw/zinc/24/35/90/652243590.db2.gz QPXKJJOSOQQNRJ-CYBMUJFWSA-N 1 1 391.331 2.169 20 0 GEADMO C[N@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1(C)C ZINC000623514259 652243925 /nfs/dbraw/zinc/24/39/25/652243925.db2.gz GCJFENRMCXGCCJ-ZDUSSCGKSA-N 1 1 377.913 2.220 20 0 GEADMO Fc1cc(Br)cnc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000623523731 652244891 /nfs/dbraw/zinc/24/48/91/652244891.db2.gz MBAHURLJWMJDOC-GFCCVEGCSA-N 1 1 386.187 2.336 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000623565344 652246635 /nfs/dbraw/zinc/24/66/35/652246635.db2.gz KFASBUDDDRNJDB-UONOGXRCSA-N 1 1 383.290 2.279 20 0 GEADMO Cc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)ncc1Br ZINC000623556744 652246800 /nfs/dbraw/zinc/24/68/00/652246800.db2.gz WVSBGZFJBUBXDK-CYBMUJFWSA-N 1 1 397.294 2.477 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCOc1cccc(Cl)c1Cl ZINC000578159262 652248795 /nfs/dbraw/zinc/24/87/95/652248795.db2.gz OYAZVBIMBNFGNI-GFCCVEGCSA-N 1 1 376.284 2.080 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCOc1cccc(Cl)c1Cl ZINC000578159262 652248804 /nfs/dbraw/zinc/24/88/04/652248804.db2.gz OYAZVBIMBNFGNI-GFCCVEGCSA-N 1 1 376.284 2.080 20 0 GEADMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286382 652249594 /nfs/dbraw/zinc/24/95/94/652249594.db2.gz RVDPNCPDSCRCLW-AAEUAGOBSA-N 1 1 390.347 2.231 20 0 GEADMO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286382 652249624 /nfs/dbraw/zinc/24/96/24/652249624.db2.gz RVDPNCPDSCRCLW-AAEUAGOBSA-N 1 1 390.347 2.231 20 0 GEADMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286383 652250475 /nfs/dbraw/zinc/25/04/75/652250475.db2.gz RVDPNCPDSCRCLW-DGCLKSJQSA-N 1 1 390.347 2.231 20 0 GEADMO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658286383 652250491 /nfs/dbraw/zinc/25/04/91/652250491.db2.gz RVDPNCPDSCRCLW-DGCLKSJQSA-N 1 1 390.347 2.231 20 0 GEADMO COc1cc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc(Br)c1OC ZINC000623668881 652252543 /nfs/dbraw/zinc/25/25/43/652252543.db2.gz CDOSWZNWXBXZDX-LBPRGKRZSA-N 1 1 386.290 2.360 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000623710029 652255204 /nfs/dbraw/zinc/25/52/04/652255204.db2.gz RDSWAAJVJHFVJH-LLVKDONJSA-N 1 1 383.290 2.136 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255857 /nfs/dbraw/zinc/25/58/57/652255857.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 1 1 381.464 2.280 20 0 GEADMO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255861 /nfs/dbraw/zinc/25/58/61/652255861.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 1 1 381.464 2.280 20 0 GEADMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255864 /nfs/dbraw/zinc/25/58/64/652255864.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 1 1 381.464 2.280 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000623749542 652257729 /nfs/dbraw/zinc/25/77/29/652257729.db2.gz JGIGPKDBKMWESG-QMTHXVAHSA-N 1 1 383.290 2.135 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000749899236 652271692 /nfs/dbraw/zinc/27/16/92/652271692.db2.gz RRNDWCYMMKISGY-CVEARBPZSA-N 1 1 380.945 2.394 20 0 GEADMO C[N@H+](C[C@H]1CCOC1)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000749966036 652276363 /nfs/dbraw/zinc/27/63/63/652276363.db2.gz HEEZCILGXGFIOZ-FZKQIMNGSA-N 1 1 395.297 2.392 20 0 GEADMO C[N@@H+](C[C@H]1CCOC1)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000749966036 652276372 /nfs/dbraw/zinc/27/63/72/652276372.db2.gz HEEZCILGXGFIOZ-FZKQIMNGSA-N 1 1 395.297 2.392 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@@H]1CC[N@@H+](CC)C1 ZINC000658466395 652277005 /nfs/dbraw/zinc/27/70/05/652277005.db2.gz GQTGGDOAEIRXMK-GFCCVEGCSA-N 1 1 386.265 2.469 20 0 GEADMO NC(=O)C1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCCC1 ZINC000750051335 652279520 /nfs/dbraw/zinc/27/95/20/652279520.db2.gz WNQOLXJZOZOJEU-UHFFFAOYSA-N 1 1 376.201 2.054 20 0 GEADMO Cc1nc(-c2cc([C@H](C)[NH2+]C3CN(S(=O)(=O)N(C)C)C3)cs2)cs1 ZINC000624283230 652279856 /nfs/dbraw/zinc/27/98/56/652279856.db2.gz IIZLTWOSDNWHMI-JTQLQIEISA-N 1 1 386.568 2.321 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578625043 652283858 /nfs/dbraw/zinc/28/38/58/652283858.db2.gz JUPUNBBIGUJXCF-MNOVXSKESA-N 1 1 378.274 2.361 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCc2ccoc2)cc1Br ZINC000658605690 652294920 /nfs/dbraw/zinc/29/49/20/652294920.db2.gz CGZMVVNRUSPOJX-UHFFFAOYSA-N 1 1 394.269 2.401 20 0 GEADMO O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658650178 652299018 /nfs/dbraw/zinc/29/90/18/652299018.db2.gz WFDDWPFJRCAQFY-ZDUSSCGKSA-N 1 1 395.301 2.306 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624804576 652304492 /nfs/dbraw/zinc/30/44/92/652304492.db2.gz IHUCHRVFJAWKDX-CYBMUJFWSA-N 1 1 377.457 2.268 20 0 GEADMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000624937750 652311560 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377.286 2.258 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000790967002 653801876 /nfs/dbraw/zinc/80/18/76/653801876.db2.gz AUCWTZHURUUNCC-LBPRGKRZSA-N 1 1 383.290 2.019 20 0 GEADMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866582887 653803996 /nfs/dbraw/zinc/80/39/96/653803996.db2.gz NXPBDMVUMASGFQ-LLVKDONJSA-N 1 1 382.452 2.228 20 0 GEADMO CCCC[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866628326 653806609 /nfs/dbraw/zinc/80/66/09/653806609.db2.gz MOHRLXKNEQJTAY-DEOSSOPVSA-N 1 1 391.534 2.381 20 0 GEADMO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000866630835 653807152 /nfs/dbraw/zinc/80/71/52/653807152.db2.gz XVZRGLQSDIDXKZ-QMMMGPOBSA-N 1 1 397.220 2.457 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000821844213 653808937 /nfs/dbraw/zinc/80/89/37/653808937.db2.gz ZGPFEBNQPPZAFS-UHFFFAOYSA-N 1 1 384.311 2.399 20 0 GEADMO Cn1cc[nH+]c1N1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000866666888 653809146 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CC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 ZINC000895430167 653834250 /nfs/dbraw/zinc/83/42/50/653834250.db2.gz CQYLTGCABICJGD-UHFFFAOYSA-N 1 1 390.269 2.020 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000883253946 653833205 /nfs/dbraw/zinc/83/32/05/653833205.db2.gz GDQCXWTWKYGXOE-ZDUSSCGKSA-N 1 1 383.290 2.089 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000883252536 653833264 /nfs/dbraw/zinc/83/32/64/653833264.db2.gz MODQQZFHLYMANR-CQSZACIVSA-N 1 1 397.317 2.480 20 0 GEADMO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000883296986 653834485 /nfs/dbraw/zinc/83/44/85/653834485.db2.gz CGLXYQDLTHTMGE-ZDUSSCGKSA-N 1 1 399.314 2.087 20 0 GEADMO Cn1ccn2c(C[NH2+][C@H]3CCCc4c(Br)cccc43)nnc2c1=O ZINC000883334915 653835883 /nfs/dbraw/zinc/83/58/83/653835883.db2.gz JLNWMLDGJITTQI-AWEZNQCLSA-N 1 1 388.269 2.358 20 0 GEADMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2I)C1 ZINC000883380903 653838431 /nfs/dbraw/zinc/83/84/31/653838431.db2.gz 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GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C[C@@H]1C ZINC000793050666 653864421 /nfs/dbraw/zinc/86/44/21/653864421.db2.gz ZYRYUEODENGSKK-NWDGAFQWSA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C[C@@H]1C ZINC000793050666 653864424 /nfs/dbraw/zinc/86/44/24/653864424.db2.gz ZYRYUEODENGSKK-NWDGAFQWSA-N 1 1 383.290 2.032 20 0 GEADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1SCCS1 ZINC000823402593 653867265 /nfs/dbraw/zinc/86/72/65/653867265.db2.gz KFRZXOVTIYJTBQ-UHFFFAOYSA-N 1 1 380.583 2.256 20 0 GEADMO CS(=O)(=O)C1CCC(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)CC1 ZINC000884278540 653870208 /nfs/dbraw/zinc/87/02/08/653870208.db2.gz MQEVZIWRTKYAJZ-KVULBXGLSA-N 1 1 384.929 2.416 20 0 GEADMO N[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(Br)cc1 ZINC000884341368 653873133 /nfs/dbraw/zinc/87/31/33/653873133.db2.gz XBNXEFZKIIVMOT-YESZJQIVSA-N 1 1 396.329 2.194 20 0 GEADMO O=C(Cc1ccc(I)cc1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000793306562 653874173 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GEADMO Cc1ccc(Br)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)n1 ZINC000823797386 653880211 /nfs/dbraw/zinc/88/02/11/653880211.db2.gz XCRNTKVVEFOBIC-UONOGXRCSA-N 1 1 382.302 2.382 20 0 GEADMO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1C[N@@H+](C)CCN1C ZINC000896532176 653882564 /nfs/dbraw/zinc/88/25/64/653882564.db2.gz AIOKOTIUXJYUTH-JCURWCKSSA-N 1 1 380.330 2.229 20 0 GEADMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000793697608 653882819 /nfs/dbraw/zinc/88/28/19/653882819.db2.gz LLNNYTWQJDWRLV-LBPRGKRZSA-N 1 1 399.310 2.088 20 0 GEADMO C[C@@H](NC(=O)CCc1cccc(F)c1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540194 653883695 /nfs/dbraw/zinc/88/36/95/653883695.db2.gz VOMOAERWNDQEOT-DOMZBBRYSA-N 1 1 386.309 2.271 20 0 GEADMO C[C@@H](NC(=O)CCc1cccc(F)c1Br)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540194 653883700 /nfs/dbraw/zinc/88/37/00/653883700.db2.gz VOMOAERWNDQEOT-DOMZBBRYSA-N 1 1 386.309 2.271 20 0 GEADMO C[C@@H](NC(=O)CCc1cccc(F)c1Br)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540194 653883702 /nfs/dbraw/zinc/88/37/02/653883702.db2.gz VOMOAERWNDQEOT-DOMZBBRYSA-N 1 1 386.309 2.271 20 0 GEADMO C[C@H](NC(=O)C1(c2ccccc2Br)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896545759 653884367 /nfs/dbraw/zinc/88/43/67/653884367.db2.gz PYCZJWFQTNGOGX-BBRMVZONSA-N 1 1 380.330 2.231 20 0 GEADMO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(Br)c1 ZINC000896546956 653884384 /nfs/dbraw/zinc/88/43/84/653884384.db2.gz AUQYBGFNFVWRIR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(Br)c1 ZINC000896546956 653884390 /nfs/dbraw/zinc/88/43/90/653884390.db2.gz AUQYBGFNFVWRIR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1ccc(CCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(Br)c1 ZINC000896546956 653884395 /nfs/dbraw/zinc/88/43/95/653884395.db2.gz AUQYBGFNFVWRIR-PBHICJAKSA-N 1 1 382.346 2.441 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@@H+](C)CCN1C ZINC000896551011 653884672 /nfs/dbraw/zinc/88/46/72/653884672.db2.gz BVZJHSYDNAEWMU-BLLLJJGKSA-N 1 1 393.329 2.223 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896551011 653884675 /nfs/dbraw/zinc/88/46/75/653884675.db2.gz BVZJHSYDNAEWMU-BLLLJJGKSA-N 1 1 393.329 2.223 20 0 GEADMO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@H+]1C ZINC000896551011 653884677 /nfs/dbraw/zinc/88/46/77/653884677.db2.gz BVZJHSYDNAEWMU-BLLLJJGKSA-N 1 1 393.329 2.223 20 0 GEADMO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896552622 653884979 /nfs/dbraw/zinc/88/49/79/653884979.db2.gz MXPKQNYHLSSKDP-LKFCYVNXSA-N 1 1 376.245 2.091 20 0 GEADMO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000896554966 653885029 /nfs/dbraw/zinc/88/50/29/653885029.db2.gz XXESNXSVLVIHTJ-LRDDRELGSA-N 1 1 391.313 2.361 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000896553446 653885051 /nfs/dbraw/zinc/88/50/51/653885051.db2.gz ASJLSHVIGXGFKR-RHSMWYFYSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1Br ZINC000896553446 653885054 /nfs/dbraw/zinc/88/50/54/653885054.db2.gz ASJLSHVIGXGFKR-RHSMWYFYSA-N 1 1 382.346 2.441 20 0 GEADMO Cc1cc(CCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1Br ZINC000896553446 653885055 /nfs/dbraw/zinc/88/50/55/653885055.db2.gz ASJLSHVIGXGFKR-RHSMWYFYSA-N 1 1 382.346 2.441 20 0 GEADMO C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1C[N@@H+](C)CCN1C ZINC000896552468 653885087 /nfs/dbraw/zinc/88/50/87/653885087.db2.gz MLJDLNRWKSMOGA-XHDPSFHLSA-N 1 1 379.302 2.295 20 0 GEADMO C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896552468 653885090 /nfs/dbraw/zinc/88/50/90/653885090.db2.gz MLJDLNRWKSMOGA-XHDPSFHLSA-N 1 1 379.302 2.295 20 0 GEADMO C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@H+]1C ZINC000896552468 653885091 /nfs/dbraw/zinc/88/50/91/653885091.db2.gz MLJDLNRWKSMOGA-XHDPSFHLSA-N 1 1 379.302 2.295 20 0 GEADMO C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1C[N@@H+](C)CCN1C ZINC000896552466 653885120 /nfs/dbraw/zinc/88/51/20/653885120.db2.gz MLJDLNRWKSMOGA-IAQYHMDHSA-N 1 1 379.302 2.295 20 0 GEADMO C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@@H+]1C ZINC000896552466 653885124 /nfs/dbraw/zinc/88/51/24/653885124.db2.gz MLJDLNRWKSMOGA-IAQYHMDHSA-N 1 1 379.302 2.295 20 0 GEADMO C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c12)[C@H]1CN(C)CC[N@H+]1C ZINC000896552466 653885127 /nfs/dbraw/zinc/88/51/27/653885127.db2.gz MLJDLNRWKSMOGA-IAQYHMDHSA-N 1 1 379.302 2.295 20 0 GEADMO CC(C)n1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1I ZINC000867186072 653890086 /nfs/dbraw/zinc/89/00/86/653890086.db2.gz LQUAPCMZKRKIIS-WDEREUQCSA-N 1 1 390.269 2.233 20 0 GEADMO CC(C)n1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1I ZINC000867186072 653890080 /nfs/dbraw/zinc/89/00/80/653890080.db2.gz LQUAPCMZKRKIIS-WDEREUQCSA-N 1 1 390.269 2.233 20 0 GEADMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824451541 653895669 /nfs/dbraw/zinc/89/56/69/653895669.db2.gz ZHDQVCAYCJTOAX-GFCCVEGCSA-N 1 1 397.269 2.494 20 0 GEADMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824451541 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GEADMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867262506 653904832 /nfs/dbraw/zinc/90/48/32/653904832.db2.gz WJPCGZNKJMWCRX-ICBMNTSNSA-N 1 1 389.518 2.086 20 0 GEADMO Cc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)nc1Br ZINC000794356157 653904860 /nfs/dbraw/zinc/90/48/60/653904860.db2.gz SDHDRULUWUAUJR-CYBMUJFWSA-N 1 1 384.322 2.300 20 0 GEADMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000897059243 653905329 /nfs/dbraw/zinc/90/53/29/653905329.db2.gz BCEHGDKYVZMGMW-NSHDSACASA-N 1 1 384.299 2.108 20 0 GEADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000897058723 653905400 /nfs/dbraw/zinc/90/54/00/653905400.db2.gz RFWQSAXAEAMZAA-SNVBAGLBSA-N 1 1 377.293 2.380 20 0 GEADMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000897062459 653905669 /nfs/dbraw/zinc/90/56/69/653905669.db2.gz QVNPCBPYVUPEFS-XJKSGUPXSA-N 1 1 388.917 2.008 20 0 GEADMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000897062459 653905673 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Cn1ccnc1C[NH+]1CCC(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000826820260 653961702 /nfs/dbraw/zinc/96/17/02/653961702.db2.gz KZIYQJZRCBQPNU-UHFFFAOYSA-N 1 1 392.301 2.106 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000885895858 653962506 /nfs/dbraw/zinc/96/25/06/653962506.db2.gz OWXMUQYIAAKGAA-CYBMUJFWSA-N 1 1 397.317 2.346 20 0 GEADMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885935372 653963975 /nfs/dbraw/zinc/96/39/75/653963975.db2.gz JQGUJTMJPWTYMS-CXAGYDPISA-N 1 1 388.892 2.212 20 0 GEADMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885935374 653964421 /nfs/dbraw/zinc/96/44/21/653964421.db2.gz JQGUJTMJPWTYMS-GUYCJALGSA-N 1 1 388.892 2.212 20 0 GEADMO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000898352346 653964577 /nfs/dbraw/zinc/96/45/77/653964577.db2.gz YFYCFIYKGYHJKV-TVQRCGJNSA-N 1 1 392.681 2.036 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCc2ncc(Br)cn2)[C@@H](c2ccccc2)C1 ZINC000898398056 653968435 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GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@H]21 ZINC000827233983 653982123 /nfs/dbraw/zinc/98/21/23/653982123.db2.gz VFJKXRKGOCGELD-BXUZGUMPSA-N 1 1 381.270 2.387 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000827254657 653983332 /nfs/dbraw/zinc/98/33/32/653983332.db2.gz QFJWMBSROBDDGB-CJNGLKHVSA-N 1 1 384.929 2.445 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccccc4Br)nn3)CC[C@H]21 ZINC000827343812 653986818 /nfs/dbraw/zinc/98/68/18/653986818.db2.gz BHQFMMSKBCDCKZ-IUODEOHRSA-N 1 1 390.285 2.196 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000796125807 653987299 /nfs/dbraw/zinc/98/72/99/653987299.db2.gz JPDZSRVVOXTOJT-MLGOLLRUSA-N 1 1 378.897 2.116 20 0 GEADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1Cl ZINC000867806063 653989628 /nfs/dbraw/zinc/98/96/28/653989628.db2.gz DKINXYQEGGAYCC-QWRGUYRKSA-N 1 1 392.930 2.211 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CC[C@@H]21 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C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccsc3Br)[C@@H]2C1 ZINC000921348321 654253014 /nfs/dbraw/zinc/25/30/14/654253014.db2.gz SXKADELIRBOZHD-ZYHUDNBSSA-N 1 1 379.345 2.366 20 0 GEADMO COC(=O)NC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000852764402 654259547 /nfs/dbraw/zinc/25/95/47/654259547.db2.gz ICOZIBOGLAECOX-OAHLLOKOSA-N 1 1 396.285 2.375 20 0 GEADMO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)ccc(F)c1F ZINC000871810434 654262365 /nfs/dbraw/zinc/26/23/65/654262365.db2.gz LXUWKNCSHNHBFP-SNVBAGLBSA-N 1 1 380.844 2.055 20 0 GEADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000903598958 654266696 /nfs/dbraw/zinc/26/66/96/654266696.db2.gz UBFFOEIAOLUYDJ-ZDUSSCGKSA-N 1 1 399.310 2.211 20 0 GEADMO C[C@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000871895630 654274032 /nfs/dbraw/zinc/27/40/32/654274032.db2.gz VQHOQASSOTZIMU-RISCZKNCSA-N 1 1 376.507 2.114 20 0 GEADMO COC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)c1cccc(Br)c1 ZINC000871924475 654280475 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GEADMO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000832742559 654292407 /nfs/dbraw/zinc/29/24/07/654292407.db2.gz KDWYACTVVHUFSO-GFCCVEGCSA-N 1 1 383.290 2.034 20 0 GEADMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1cnc(Cl)n1C ZINC000832761869 654293328 /nfs/dbraw/zinc/29/33/28/654293328.db2.gz UKGKMPSMBPDXKO-UHFFFAOYSA-N 1 1 388.843 2.111 20 0 GEADMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(OC)c(Br)c1)C2 ZINC000903979170 654293898 /nfs/dbraw/zinc/29/38/98/654293898.db2.gz XKWIDCVPSYJQQY-AHIWAGSCSA-N 1 1 383.286 2.170 20 0 GEADMO O=C(NCc1ncc(Br)cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891541520 654300047 /nfs/dbraw/zinc/30/00/47/654300047.db2.gz AACBXNLRPDQRPS-OAHLLOKOSA-N 1 1 390.285 2.313 20 0 GEADMO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000891550307 654300132 /nfs/dbraw/zinc/30/01/32/654300132.db2.gz BIMYPQYREJJYKO-FUHWJXTLSA-N 1 1 380.330 2.094 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1nc(Br)sc1C1CC1 ZINC000833559772 654308007 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O=C1CC2(CCOCC2)[N@@H+](CCOc2cccc(Br)c2)CCN1 ZINC000872287739 654321841 /nfs/dbraw/zinc/32/18/41/654321841.db2.gz DBUAVBUYHBADSN-UHFFFAOYSA-N 1 1 383.286 2.199 20 0 GEADMO C[N@@H+](CCCNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)Cc1ccccc1 ZINC000872431947 654333634 /nfs/dbraw/zinc/33/36/34/654333634.db2.gz JGPOLBIYCOZLTE-HSZRJFAPSA-N 1 1 375.560 2.239 20 0 GEADMO C[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555460 654334461 /nfs/dbraw/zinc/33/44/61/654334461.db2.gz WNNBKDKROSBCPZ-RYUDHWBXSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555460 654334463 /nfs/dbraw/zinc/33/44/63/654334463.db2.gz WNNBKDKROSBCPZ-RYUDHWBXSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@@H](NC1CC[NH+](CC(=O)N(C)C)CC1)c1nc(Br)cs1 ZINC000834578674 654336130 /nfs/dbraw/zinc/33/61/30/654336130.db2.gz WXXJJJSZFAMWHG-SNVBAGLBSA-N 1 1 375.336 2.109 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872440020 654336362 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C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872459080 654342951 /nfs/dbraw/zinc/34/29/51/654342951.db2.gz QAJCMMWFHUXDAB-ZDUSSCGKSA-N 1 1 388.331 2.197 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)c1csc(I)n1)c1ccco1 ZINC000854236350 654345565 /nfs/dbraw/zinc/34/55/65/654345565.db2.gz LLFALEQXLLBJSE-SECBINFHSA-N 1 1 391.234 2.373 20 0 GEADMO C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)c2ccsc2S1(=O)=O ZINC000905264964 654346500 /nfs/dbraw/zinc/34/65/00/654346500.db2.gz WXAYTPCBEOTWTE-ZFZWDLNGSA-N 1 1 381.519 2.429 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000834817734 654350490 /nfs/dbraw/zinc/35/04/90/654350490.db2.gz ZBDWXNTXKJVPSV-INIZCTEOSA-N 1 1 383.880 2.047 20 0 GEADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1nc(Br)c[nH]1 ZINC000921981527 654351010 /nfs/dbraw/zinc/35/10/10/654351010.db2.gz VYXMJIXHOZXBHB-OAHLLOKOSA-N 1 1 379.302 2.419 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872487773 654353887 /nfs/dbraw/zinc/35/38/87/654353887.db2.gz GKGBMKXHOHSBDF-UHFFFAOYSA-N 1 1 381.464 2.267 20 0 GEADMO CN(CCCN(C)S(=O)(=O)c1ccc(F)c(C(F)F)c1)CC[NH+](C)C ZINC000872487773 654353889 /nfs/dbraw/zinc/35/38/89/654353889.db2.gz GKGBMKXHOHSBDF-UHFFFAOYSA-N 1 1 381.464 2.267 20 0 GEADMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc3ccc(Br)cc3c2)CC1 ZINC000905418082 654355946 /nfs/dbraw/zinc/35/59/46/654355946.db2.gz PJOALRKJIAJIDO-IBGZPJMESA-N 1 1 392.341 2.300 20 0 GEADMO CN1CCN(C[C@@H](O)C[NH2+]Cc2cc(Br)c3ccccc3c2)CC1 ZINC000905515055 654362462 /nfs/dbraw/zinc/36/24/62/654362462.db2.gz BJJWKBTTXNNLEV-KRWDZBQOSA-N 1 1 392.341 2.300 20 0 GEADMO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000905515320 654362512 /nfs/dbraw/zinc/36/25/12/654362512.db2.gz CSVXOYDGNLBRSM-LBPRGKRZSA-N 1 1 386.315 2.434 20 0 GEADMO O=C1[C@H]([NH2+]Cc2cnc3n2CCOC3)CCN1c1cccc(Br)c1 ZINC000922071356 654363173 /nfs/dbraw/zinc/36/31/73/654363173.db2.gz XMSVCDNLLHYMIE-OAHLLOKOSA-N 1 1 391.269 2.071 20 0 GEADMO C[C@]1(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C[NH+]2CCC1CC2 ZINC000892768759 654363342 /nfs/dbraw/zinc/36/33/42/654363342.db2.gz IRMTXSRXWUKGSE-SFHVURJKSA-N 1 1 384.929 2.494 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000835149349 654365786 /nfs/dbraw/zinc/36/57/86/654365786.db2.gz RIUJCBMDOXJPAX-YHWZYXNKSA-N 1 1 395.301 2.223 20 0 GEADMO CCn1c(C[NH2+]CC2([S@@](C)=O)CC2)nc(Br)c1Br ZINC000922101736 654367398 /nfs/dbraw/zinc/36/73/98/654367398.db2.gz VGAIWFZOUCYIPN-GOSISDBHSA-N 1 1 399.152 2.429 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC000892867936 654367666 /nfs/dbraw/zinc/36/76/66/654367666.db2.gz BFBMRJCKBKGMAS-HUUCEWRRSA-N 1 1 397.361 2.488 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC000892867934 654367782 /nfs/dbraw/zinc/36/77/82/654367782.db2.gz BFBMRJCKBKGMAS-CABCVRRESA-N 1 1 397.361 2.488 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@@H]1C ZINC000835173085 654368289 /nfs/dbraw/zinc/36/82/89/654368289.db2.gz UHCURGYBLNXYQH-QWHCGFSZSA-N 1 1 397.317 2.422 20 0 GEADMO Cn1nc(Br)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000854588491 654368917 /nfs/dbraw/zinc/36/89/17/654368917.db2.gz BQJFVTZICHYFQM-ZDUSSCGKSA-N 1 1 378.274 2.428 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642350 654372318 /nfs/dbraw/zinc/37/23/18/654372318.db2.gz KPEDJHLFPNHQKA-ZIAGYGMSSA-N 1 1 399.333 2.336 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000905669131 654373117 /nfs/dbraw/zinc/37/31/17/654373117.db2.gz VIBIAXIJLQQPLC-BETUJISGSA-N 1 1 387.322 2.456 20 0 GEADMO C[C@](CO)(NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000893018999 654376014 /nfs/dbraw/zinc/37/60/14/654376014.db2.gz PDVRCEMUUOAVFX-RHSMWYFYSA-N 1 1 382.302 2.193 20 0 GEADMO O=C(/C=C/c1ccc(Cl)s1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922346618 654384825 /nfs/dbraw/zinc/38/48/25/654384825.db2.gz KKOAXGDJEOQRGX-DRDHIDPGSA-N 1 1 383.945 2.328 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000872662111 654386855 /nfs/dbraw/zinc/38/68/55/654386855.db2.gz BQWXHKDKBGRFPV-ZIAGYGMSSA-N 1 1 389.315 2.315 20 0 GEADMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000872664073 654387378 /nfs/dbraw/zinc/38/73/78/654387378.db2.gz LUTIDYPMWNFDIF-QWRGUYRKSA-N 1 1 394.722 2.355 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000872664073 654387384 /nfs/dbraw/zinc/38/73/84/654387384.db2.gz LUTIDYPMWNFDIF-QWRGUYRKSA-N 1 1 394.722 2.355 20 0 GEADMO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872665615 654387616 /nfs/dbraw/zinc/38/76/16/654387616.db2.gz PRKORVVMQWYSJZ-CVEARBPZSA-N 1 1 375.897 2.324 20 0 GEADMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cnc3ccc(Br)cn23)n[nH]1 ZINC000922408659 654391023 /nfs/dbraw/zinc/39/10/23/654391023.db2.gz BMOVBKDYVFSWNP-IAQYHMDHSA-N 1 1 391.273 2.391 20 0 GEADMO O=C(NCCc1cccs1)C1CC[NH+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000905920874 654391119 /nfs/dbraw/zinc/39/11/19/654391119.db2.gz INGPYBKYLGWGGG-XMMPIXPASA-N 1 1 382.473 2.387 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@@H]21 ZINC000872724863 654393346 /nfs/dbraw/zinc/39/33/46/654393346.db2.gz YYXDCAIZCFCQJF-MFKMUULPSA-N 1 1 384.249 2.480 20 0 GEADMO Cn1c(Cl)nc(Cl)c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922474063 654396334 /nfs/dbraw/zinc/39/63/34/654396334.db2.gz NCHYORLHFVTZKZ-UHFFFAOYSA-N 1 1 383.345 2.457 20 0 GEADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000922510027 654398788 /nfs/dbraw/zinc/39/87/88/654398788.db2.gz FIWHPAFUTDWQQA-CQSZACIVSA-N 1 1 377.242 2.024 20 0 GEADMO C[N@@H+](CCNC(=O)NCc1ncc(Br)cn1)Cc1ccc(F)cc1 ZINC000893432404 654401254 /nfs/dbraw/zinc/40/12/54/654401254.db2.gz WSOKICFGHGTIPZ-UHFFFAOYSA-N 1 1 396.264 2.309 20 0 GEADMO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000893651625 654413777 /nfs/dbraw/zinc/41/37/77/654413777.db2.gz PEXWSSYPUQORNU-HNNXBMFYSA-N 1 1 397.361 2.269 20 0 GEADMO C[N@@H+](CCCCNC(=O)NCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000922808191 654414931 /nfs/dbraw/zinc/41/49/31/654414931.db2.gz ICYITGKZVWCKMM-UHFFFAOYSA-N 1 1 384.322 2.308 20 0 GEADMO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000922827629 654415680 /nfs/dbraw/zinc/41/56/80/654415680.db2.gz SYHMODOBINKFSA-JTQLQIEISA-N 1 1 392.955 2.443 20 0 GEADMO Ic1cnc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)s1 ZINC000922955527 654421962 /nfs/dbraw/zinc/42/19/62/654421962.db2.gz YZZOUQGUVBDNTH-NSHDSACASA-N 1 1 393.294 2.091 20 0 GEADMO Ic1cnc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000922955527 654421957 /nfs/dbraw/zinc/42/19/57/654421957.db2.gz YZZOUQGUVBDNTH-NSHDSACASA-N 1 1 393.294 2.091 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000893870146 654427841 /nfs/dbraw/zinc/42/78/41/654427841.db2.gz TXWQEUFRJFWLFQ-SNVBAGLBSA-N 1 1 390.269 2.067 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)C2 ZINC000923065998 654426391 /nfs/dbraw/zinc/42/63/91/654426391.db2.gz GBDQRTAAORNVBX-MWVHIBPXSA-N 1 1 375.916 2.470 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2ncc(Br)cn2)[C@H]1c1ccccc1 ZINC000893878602 654428804 /nfs/dbraw/zinc/42/88/04/654428804.db2.gz UBFXCGLJHYJUBK-GDBMZVCRSA-N 1 1 390.285 2.484 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000893936464 654431929 /nfs/dbraw/zinc/43/19/29/654431929.db2.gz WYZLHURSVZJTEK-QWRGUYRKSA-N 1 1 379.306 2.484 20 0 GEADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccccc1Br ZINC000906409929 654435121 /nfs/dbraw/zinc/43/51/21/654435121.db2.gz HLSJVBFVZOQLTN-GFCCVEGCSA-N 1 1 390.285 2.305 20 0 GEADMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccccc1Br ZINC000906409931 654435237 /nfs/dbraw/zinc/43/52/37/654435237.db2.gz HLSJVBFVZOQLTN-LBPRGKRZSA-N 1 1 390.285 2.305 20 0 GEADMO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290512 654441831 /nfs/dbraw/zinc/44/18/31/654441831.db2.gz XXKAYQPSBDPIDP-ZOWXZIJZSA-N 1 1 375.282 2.387 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C)nc1I 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721423128 /nfs/dbraw/zinc/42/31/28/721423128.db2.gz SGPDGMZRBDVDOL-RYUDHWBXSA-N 1 1 393.900 2.331 20 0 GEADMO CCSc1cncc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889544 721439907 /nfs/dbraw/zinc/43/99/07/721439907.db2.gz BMSQSXXPIKVVCA-FXAWDEMLSA-N 1 1 391.585 2.354 20 0 GEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(C)c(C)n1)CC2 ZINC001164788861 721470564 /nfs/dbraw/zinc/47/05/64/721470564.db2.gz LWMCMLKNVHKKBX-LJQANCHMSA-N 1 1 389.544 2.222 20 0 GEADMO NC(=O)c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901025 721514744 /nfs/dbraw/zinc/51/47/44/721514744.db2.gz WAXQOTQEWGLDTO-DZGCQCFKSA-N 1 1 390.846 2.315 20 0 GEADMO NC(=O)c1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1Cl ZINC001164899101 721514894 /nfs/dbraw/zinc/51/48/94/721514894.db2.gz JXXVKUOANWZIIU-HIFRSBDPSA-N 1 1 390.846 2.315 20 0 GEADMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164904140 721528557 /nfs/dbraw/zinc/52/85/57/721528557.db2.gz FKMOPEUEQFEWOB-NVXWUHKLSA-N 1 1 389.402 2.488 20 0 GEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164910315 721530878 /nfs/dbraw/zinc/53/08/78/721530878.db2.gz UFWBYUJFIOETLB-RDJZCZTQSA-N 1 1 386.427 2.134 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cnc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806587 721541415 /nfs/dbraw/zinc/54/14/15/721541415.db2.gz OVYPODUKAPAPOL-NSHGMRRFSA-N 1 1 394.454 2.427 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cnc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806587 721541417 /nfs/dbraw/zinc/54/14/17/721541417.db2.gz OVYPODUKAPAPOL-NSHGMRRFSA-N 1 1 394.454 2.427 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164807153 721541421 /nfs/dbraw/zinc/54/14/21/721541421.db2.gz PQNFTTOOLGBTGB-BFHYXJOUSA-N 1 1 395.294 2.442 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164807153 721541423 /nfs/dbraw/zinc/54/14/23/721541423.db2.gz PQNFTTOOLGBTGB-BFHYXJOUSA-N 1 1 395.294 2.442 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Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001164943693 721958705 /nfs/dbraw/zinc/95/87/05/721958705.db2.gz IYBGSHFIXLKREU-LEWJYISDSA-N 1 1 397.523 2.370 20 0 GEADMO CN1CCOc2c(Cl)nnc(N3CC[NH+](CCOc4ccccc4)CC3)c21 ZINC001165044960 721958793 /nfs/dbraw/zinc/95/87/93/721958793.db2.gz RCRLDIBIXGQTOF-UHFFFAOYSA-N 1 1 389.887 2.160 20 0 GEADMO COC(=O)c1nc(Cl)cc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045427 721960867 /nfs/dbraw/zinc/96/08/67/721960867.db2.gz SVLQVABKUKNSNK-UHFFFAOYSA-N 1 1 376.844 2.118 20 0 GEADMO Nc1cc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946811 721977630 /nfs/dbraw/zinc/97/76/30/721977630.db2.gz LDUIYIJJFUOMNM-UHFFFAOYSA-N 1 1 385.899 2.288 20 0 GEADMO Nc1cc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946811 721977631 /nfs/dbraw/zinc/97/76/31/721977631.db2.gz LDUIYIJJFUOMNM-UHFFFAOYSA-N 1 1 385.899 2.288 20 0 GEADMO O=C1COc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2N1 ZINC001164952468 722018038 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C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(Cl)cc2F)CC3)CC1 ZINC001164996079 722229426 /nfs/dbraw/zinc/22/94/26/722229426.db2.gz DAQQESXAHSQNEZ-UHFFFAOYSA-N 1 1 376.867 2.021 20 0 GEADMO Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2ccccc12 ZINC001164998032 722232599 /nfs/dbraw/zinc/23/25/99/722232599.db2.gz ZHHRBROIWRCVQH-UHFFFAOYSA-N 1 1 389.507 2.085 20 0 GEADMO CCCSc1cncc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165002305 722238340 /nfs/dbraw/zinc/23/83/40/722238340.db2.gz UAIBPXKPBPWRKF-UHFFFAOYSA-N 1 1 399.568 2.126 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151804920 531521477 /nfs/dbraw/zinc/52/14/77/531521477.db2.gz GSQVAOULWTUXCJ-AAEUAGOBSA-N 1 1 380.286 2.437 20 0 GEADMO COc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1Br ZINC000152118079 531531852 /nfs/dbraw/zinc/53/18/52/531531852.db2.gz BVADMAOYPWTXJO-AWEZNQCLSA-N 1 1 385.302 2.424 20 0 GEADMO C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152434067 531550130 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O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)Nc1ccc(I)cc1 ZINC000153396087 531598581 /nfs/dbraw/zinc/59/85/81/531598581.db2.gz RLVWZFXLMUXNRG-OAHLLOKOSA-N 1 1 386.233 2.342 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000153516326 531603124 /nfs/dbraw/zinc/60/31/24/531603124.db2.gz HHFBFMYLSWKRMY-HNNXBMFYSA-N 1 1 396.329 2.397 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000153803181 531610685 /nfs/dbraw/zinc/61/06/85/531610685.db2.gz HZJXGWDURYSXTO-UHFFFAOYSA-N 1 1 384.889 2.379 20 0 GEADMO Cc1ccc(N2CCC(NC(=O)c3cc(S(C)(=O)=O)cs3)CC2)[nH+]c1 ZINC000153964611 531613811 /nfs/dbraw/zinc/61/38/11/531613811.db2.gz BEGRVRKJGVKSBI-UHFFFAOYSA-N 1 1 379.507 2.254 20 0 GEADMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000026174978 531617153 /nfs/dbraw/zinc/61/71/53/531617153.db2.gz BKCGSEDUYLPFRK-ZDUSSCGKSA-N 1 1 391.896 2.211 20 0 GEADMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)c1cccs1 ZINC000027779608 531627018 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O=C(Cc1cccc(I)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000129989644 532187809 /nfs/dbraw/zinc/18/78/09/532187809.db2.gz UYFLPWDVSOQZHJ-ZDUSSCGKSA-N 1 1 384.261 2.434 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177972082 532188649 /nfs/dbraw/zinc/18/86/49/532188649.db2.gz UWCALTYWSRPHTO-ZDUSSCGKSA-N 1 1 385.306 2.486 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130056285 532189453 /nfs/dbraw/zinc/18/94/53/532189453.db2.gz IASUILRTUUDDSR-OAHLLOKOSA-N 1 1 388.295 2.285 20 0 GEADMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)CN1CC[NH+](C)CC1 ZINC000178555538 532205335 /nfs/dbraw/zinc/20/53/35/532205335.db2.gz ZYVSJCATKNWYTA-LLVKDONJSA-N 1 1 378.826 2.367 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000131685914 532202422 /nfs/dbraw/zinc/20/24/22/532202422.db2.gz YUOYWSHESXUONZ-IAQYHMDHSA-N 1 1 399.563 2.270 20 0 GEADMO C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000179400110 532230460 /nfs/dbraw/zinc/23/04/60/532230460.db2.gz CYBCUAPILCHQKO-KRWDZBQOSA-N 1 1 388.339 2.417 20 0 GEADMO CCN(CCS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000133301519 532231746 /nfs/dbraw/zinc/23/17/46/532231746.db2.gz KUQYAEQNXQBCRX-ZBFHGGJFSA-N 1 1 387.571 2.207 20 0 GEADMO CCN(CCS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000133301519 532231748 /nfs/dbraw/zinc/23/17/48/532231748.db2.gz KUQYAEQNXQBCRX-ZBFHGGJFSA-N 1 1 387.571 2.207 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000179790651 532244126 /nfs/dbraw/zinc/24/41/26/532244126.db2.gz GREOVCUVYSMDHI-YHWZYXNKSA-N 1 1 395.301 2.223 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000133902103 532245438 /nfs/dbraw/zinc/24/54/38/532245438.db2.gz XRXTUKNYJJRFMQ-NSHDSACASA-N 1 1 386.265 2.327 20 0 GEADMO C[NH+]1CCN(c2ncc(CNCc3cc(F)ccc3Br)cn2)CC1 ZINC000134132254 532251036 /nfs/dbraw/zinc/25/10/36/532251036.db2.gz IVZCJRQBLABKAR-UHFFFAOYSA-N 1 1 394.292 2.420 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180097578 532257975 /nfs/dbraw/zinc/25/79/75/532257975.db2.gz BDDUPLZETYCZCO-JTQLQIEISA-N 1 1 382.349 2.176 20 0 GEADMO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000136324457 532283608 /nfs/dbraw/zinc/28/36/08/532283608.db2.gz MUJZMBBGGBHHSA-CYBMUJFWSA-N 1 1 398.301 2.385 20 0 GEADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137020567 532288764 /nfs/dbraw/zinc/28/87/64/532288764.db2.gz QRONUCWNULGYEE-ZDUSSCGKSA-N 1 1 390.285 2.240 20 0 GEADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137020567 532288767 /nfs/dbraw/zinc/28/87/67/532288767.db2.gz QRONUCWNULGYEE-ZDUSSCGKSA-N 1 1 390.285 2.240 20 0 GEADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CC(=O)N1CCOCC1 ZINC000181033403 532288850 /nfs/dbraw/zinc/28/88/50/532288850.db2.gz LFILZFZDCCTZEM-UHFFFAOYSA-N 1 1 383.279 2.436 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000135378208 532272680 /nfs/dbraw/zinc/27/26/80/532272680.db2.gz FCXFSEJZXAYQAI-NHYWBVRUSA-N 1 1 399.285 2.022 20 0 GEADMO CN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000151197304 532308338 /nfs/dbraw/zinc/30/83/38/532308338.db2.gz JEJWJPWPDSBPHV-CQSZACIVSA-N 1 1 385.555 2.089 20 0 GEADMO CN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151197304 532308339 /nfs/dbraw/zinc/30/83/39/532308339.db2.gz JEJWJPWPDSBPHV-CQSZACIVSA-N 1 1 385.555 2.089 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000139766213 532293944 /nfs/dbraw/zinc/29/39/44/532293944.db2.gz DIKUCUMASLKVFK-CQSZACIVSA-N 1 1 383.290 2.171 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(Br)n1 ZINC000181333003 532295647 /nfs/dbraw/zinc/29/56/47/532295647.db2.gz ZHEPBRLKOXWVQE-LBPRGKRZSA-N 1 1 395.257 2.103 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)c(Br)c2)cn1 ZINC000181369162 532296396 /nfs/dbraw/zinc/29/63/96/532296396.db2.gz LQAYTFBXNFDOSU-HNNXBMFYSA-N 1 1 381.249 2.037 20 0 GEADMO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000181397113 532297370 /nfs/dbraw/zinc/29/73/70/532297370.db2.gz LYKVEHPGTKBMIY-FZMZJTMJSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000181397113 532297374 /nfs/dbraw/zinc/29/73/74/532297374.db2.gz LYKVEHPGTKBMIY-FZMZJTMJSA-N 1 1 388.249 2.465 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCOc2cccc(Br)c2)cn1 ZINC000181376674 532297515 /nfs/dbraw/zinc/29/75/15/532297515.db2.gz CMKSGNWCAFQIHJ-INIZCTEOSA-N 1 1 393.285 2.125 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000181384964 532297522 /nfs/dbraw/zinc/29/75/22/532297522.db2.gz SDKYMTSEBCYSNL-CYBMUJFWSA-N 1 1 385.482 2.354 20 0 GEADMO Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1I ZINC000146192095 532298362 /nfs/dbraw/zinc/29/83/62/532298362.db2.gz BLLCVMABAVJWBG-UHFFFAOYSA-N 1 1 388.249 2.052 20 0 GEADMO COc1cc(Br)ccc1CCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000181532216 532300711 /nfs/dbraw/zinc/30/07/11/532300711.db2.gz VLIYOWQOFFQRJL-UHFFFAOYSA-N 1 1 385.302 2.181 20 0 GEADMO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000150716461 532301080 /nfs/dbraw/zinc/30/10/80/532301080.db2.gz RFOSTUDQDFQRAL-KBPBESRZSA-N 1 1 385.302 2.301 20 0 GEADMO C[C@H](CNC(=O)c1ccnc(SCC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000150731011 532301561 /nfs/dbraw/zinc/30/15/61/532301561.db2.gz IUWLNIUBOQVCKU-GFCCVEGCSA-N 1 1 377.432 2.434 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000151146908 532307291 /nfs/dbraw/zinc/30/72/91/532307291.db2.gz RXJDQXFLWULVJB-CJNGLKHVSA-N 1 1 396.329 2.499 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151146908 532307292 /nfs/dbraw/zinc/30/72/92/532307292.db2.gz RXJDQXFLWULVJB-CJNGLKHVSA-N 1 1 396.329 2.499 20 0 GEADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCNC(=O)C1 ZINC000182174174 532310128 /nfs/dbraw/zinc/31/01/28/532310128.db2.gz WWWWCPHDTABFAC-UHFFFAOYSA-N 1 1 385.295 2.099 20 0 GEADMO CCC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182240801 532310691 /nfs/dbraw/zinc/31/06/91/532310691.db2.gz DCMCGNHWDINJGP-HUUCEWRRSA-N 1 1 375.918 2.287 20 0 GEADMO CCC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000182240801 532310694 /nfs/dbraw/zinc/31/06/94/532310694.db2.gz DCMCGNHWDINJGP-HUUCEWRRSA-N 1 1 375.918 2.287 20 0 GEADMO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)oc1C ZINC000182652030 532316163 /nfs/dbraw/zinc/31/61/63/532316163.db2.gz QRJONLUQEJFJFZ-UHFFFAOYSA-N 1 1 392.886 2.158 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cnc1Br ZINC000182673902 532316683 /nfs/dbraw/zinc/31/66/83/532316683.db2.gz LHURZPNQSGLTDF-ZDUSSCGKSA-N 1 1 397.317 2.472 20 0 GEADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(Br)n1 ZINC000182821884 532318331 /nfs/dbraw/zinc/31/83/31/532318331.db2.gz YJVVWCVBDKEZNL-CABCVRRESA-N 1 1 390.281 2.209 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCc1ccc(Br)cc1 ZINC000182965659 532320007 /nfs/dbraw/zinc/32/00/07/532320007.db2.gz XADIXPNKUCGYQY-UHFFFAOYSA-N 1 1 397.361 2.271 20 0 GEADMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000183213489 532322156 /nfs/dbraw/zinc/32/21/56/532322156.db2.gz PHJFKWBRZAVMGM-SDDRHHMPSA-N 1 1 388.249 2.321 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)NCC(F)(F)CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185110269 532336858 /nfs/dbraw/zinc/33/68/58/532336858.db2.gz UGZQFTGHXZEHBS-FZMZJTMJSA-N 1 1 379.810 2.399 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000185400719 532337741 /nfs/dbraw/zinc/33/77/41/532337741.db2.gz AZTHSHLVAMJUHZ-UHFFFAOYSA-N 1 1 386.949 2.329 20 0 GEADMO Cc1cc(=O)n2nc(CN3CC[NH+]([C@H](C)c4ccsc4)CC3)sc2n1 ZINC000185491231 532337927 /nfs/dbraw/zinc/33/79/27/532337927.db2.gz KTBLDGXHFGGUGH-CYBMUJFWSA-N 1 1 375.523 2.400 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(Br)cc1 ZINC000185689251 532338426 /nfs/dbraw/zinc/33/84/26/532338426.db2.gz SCFVYKWDGGIOOU-AWEZNQCLSA-N 1 1 383.334 2.274 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(Br)cc1 ZINC000185689268 532338530 /nfs/dbraw/zinc/33/85/30/532338530.db2.gz SCFVYKWDGGIOOU-CQSZACIVSA-N 1 1 383.334 2.274 20 0 GEADMO C[C@@H](CNC(=O)N1Cc2cccc(Br)c2C1)C[NH+]1CCOCC1 ZINC000185826300 532338864 /nfs/dbraw/zinc/33/88/64/532338864.db2.gz QKHLBWYRRCFCEY-ZDUSSCGKSA-N 1 1 382.302 2.443 20 0 GEADMO C[C@H](CNC(=O)N1Cc2cccc(Br)c2C1)C[NH+]1CCOCC1 ZINC000185826322 532338878 /nfs/dbraw/zinc/33/88/78/532338878.db2.gz QKHLBWYRRCFCEY-CYBMUJFWSA-N 1 1 382.302 2.443 20 0 GEADMO CSc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000185831471 532338909 /nfs/dbraw/zinc/33/89/09/532338909.db2.gz NAXUCTPIAFDTGS-CYBMUJFWSA-N 1 1 390.958 2.405 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000186977992 532342830 /nfs/dbraw/zinc/34/28/30/532342830.db2.gz VTQFMRMDEHANSS-CQSZACIVSA-N 1 1 384.318 2.402 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000186971854 532342844 /nfs/dbraw/zinc/34/28/44/532342844.db2.gz OZUQSEIAUWZURS-IUODEOHRSA-N 1 1 397.313 2.229 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183670196 532327259 /nfs/dbraw/zinc/32/72/59/532327259.db2.gz PQGRYWSUFTXFGH-YGRLFVJLSA-N 1 1 396.285 2.192 20 0 GEADMO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183767192 532328760 /nfs/dbraw/zinc/32/87/60/532328760.db2.gz XKLHVXXKNQDTFI-OAHLLOKOSA-N 1 1 377.535 2.166 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000184075015 532330776 /nfs/dbraw/zinc/33/07/76/532330776.db2.gz ZQJAMKRPOIMMRW-GFCCVEGCSA-N 1 1 394.317 2.081 20 0 GEADMO COc1ccc(Br)c(CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184398148 532332642 /nfs/dbraw/zinc/33/26/42/532332642.db2.gz DTXKNDXIBYQYJN-AWEZNQCLSA-N 1 1 398.345 2.142 20 0 GEADMO Cc1cc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cnc1Br ZINC000184622836 532333861 /nfs/dbraw/zinc/33/38/61/532333861.db2.gz GIJRBWPERRUFNK-ZDUSSCGKSA-N 1 1 384.322 2.300 20 0 GEADMO CC[N@@H+](CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)C1CC1 ZINC000184634798 532333911 /nfs/dbraw/zinc/33/39/11/532333911.db2.gz UOZZRSXRHTYOTG-INIZCTEOSA-N 1 1 394.313 2.463 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000184930115 532335915 /nfs/dbraw/zinc/33/59/15/532335915.db2.gz BRKZMLBNUCBZKF-UHFFFAOYSA-N 1 1 396.329 2.017 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](C)Cc1ccsc1 ZINC000187796782 532345568 /nfs/dbraw/zinc/34/55/68/532345568.db2.gz ULPCQBGXXAVRGS-CYBMUJFWSA-N 1 1 381.523 2.287 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000187866528 532345939 /nfs/dbraw/zinc/34/59/39/532345939.db2.gz CXTCZWIUMYCHRH-HNNXBMFYSA-N 1 1 395.345 2.395 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000188119936 532346731 /nfs/dbraw/zinc/34/67/31/532346731.db2.gz NJIWKCRDHHOXMP-HNNXBMFYSA-N 1 1 380.286 2.393 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000188119936 532346732 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C[C@@H](CNC(=O)N1CCc2cc(Br)ccc2C1)C[NH+]1CCOCC1 ZINC000189176652 532351140 /nfs/dbraw/zinc/35/11/40/532351140.db2.gz VADWEYHFHMMTAJ-AWEZNQCLSA-N 1 1 396.329 2.485 20 0 GEADMO Cc1cc(NC(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000189417865 532352088 /nfs/dbraw/zinc/35/20/88/532352088.db2.gz UUSWSSAOZNKTMM-AWEZNQCLSA-N 1 1 398.345 2.473 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1scc(C)c1I ZINC000189645437 532353139 /nfs/dbraw/zinc/35/31/39/532353139.db2.gz VTZOTWDWCJYUDO-UHFFFAOYSA-N 1 1 396.294 2.359 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000189749630 532353506 /nfs/dbraw/zinc/35/35/06/532353506.db2.gz HJQSARAMHODFMY-LBPRGKRZSA-N 1 1 375.332 2.358 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000189952633 532354309 /nfs/dbraw/zinc/35/43/09/532354309.db2.gz BKNWQRYIHNRFCI-NSHDSACASA-N 1 1 386.265 2.293 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000189946196 532354315 /nfs/dbraw/zinc/35/43/15/532354315.db2.gz 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C[C@@H](Cn1cc(Br)cn1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296300337 532512438 /nfs/dbraw/zinc/51/24/38/532512438.db2.gz FXERDOZYMNNCCD-MELADBBJSA-N 1 1 377.286 2.315 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000469831040 532512662 /nfs/dbraw/zinc/51/26/62/532512662.db2.gz LTRYPXHVGYOAMX-FDRIWYBQSA-N 1 1 380.286 2.362 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000469831040 532512668 /nfs/dbraw/zinc/51/26/68/532512668.db2.gz LTRYPXHVGYOAMX-FDRIWYBQSA-N 1 1 380.286 2.362 20 0 GEADMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000374686139 532514043 /nfs/dbraw/zinc/51/40/43/532514043.db2.gz LPHVTHFYFWALGE-UHFFFAOYSA-N 1 1 386.880 2.301 20 0 GEADMO [NH3+]Cc1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cs1 ZINC000238035800 532516265 /nfs/dbraw/zinc/51/62/65/532516265.db2.gz UHHGUWVLMMBHCY-OAHLLOKOSA-N 1 1 380.901 2.059 20 0 GEADMO [NH3+]Cc1nc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cs1 ZINC000238045402 532517485 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CS(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000376186228 532600347 /nfs/dbraw/zinc/60/03/47/532600347.db2.gz HCHKFZYBADNRQI-NEPJUHHUSA-N 1 1 378.416 2.384 20 0 GEADMO CC1(NC(=O)c2n[nH]c3ccc(I)cc32)CC[NH2+]CC1 ZINC000434689984 532600352 /nfs/dbraw/zinc/60/03/52/532600352.db2.gz DOIXBOVRHMLJHE-UHFFFAOYSA-N 1 1 384.221 2.039 20 0 GEADMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)ccc1Br ZINC000434712838 532600458 /nfs/dbraw/zinc/60/04/58/532600458.db2.gz DTMLEAACUMQUNU-CQSZACIVSA-N 1 1 384.318 2.349 20 0 GEADMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)ccc1Br ZINC000434712838 532600463 /nfs/dbraw/zinc/60/04/63/532600463.db2.gz DTMLEAACUMQUNU-CQSZACIVSA-N 1 1 384.318 2.349 20 0 GEADMO C[NH2+][C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cnn(C)c1 ZINC000566196897 532601161 /nfs/dbraw/zinc/60/11/61/532601161.db2.gz WRBDDRZOUMZHAL-CZUORRHYSA-N 1 1 382.295 2.383 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000434762339 532601519 /nfs/dbraw/zinc/60/15/19/532601519.db2.gz ASQZFURZGURIOG-ZDUSSCGKSA-N 1 1 386.901 2.422 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000434762339 532601529 /nfs/dbraw/zinc/60/15/29/532601529.db2.gz ASQZFURZGURIOG-ZDUSSCGKSA-N 1 1 386.901 2.422 20 0 GEADMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000566300188 532603882 /nfs/dbraw/zinc/60/38/82/532603882.db2.gz FEWQGRBHLMPWEU-DYVFJYSZSA-N 1 1 390.908 2.337 20 0 GEADMO C[NH2+]C[C@](C)(O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000566351599 532606963 /nfs/dbraw/zinc/60/69/63/532606963.db2.gz SAYJHLLCCVHKMJ-KRWDZBQOSA-N 1 1 384.318 2.070 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(Br)c(F)c1F ZINC000529510282 532607110 /nfs/dbraw/zinc/60/71/10/532607110.db2.gz SGLQPKMHYCSUFT-UHFFFAOYSA-N 1 1 375.213 2.320 20 0 GEADMO Cc1[nH+]ccn1CC(=O)NCCc1ccc(I)s1 ZINC000297801188 532608654 /nfs/dbraw/zinc/60/86/54/532608654.db2.gz MPWRJAILVUCNEB-UHFFFAOYSA-N 1 1 375.235 2.217 20 0 GEADMO Cc1nsc(N2CCN(C(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)CC2)n1 ZINC000566444123 532609192 /nfs/dbraw/zinc/60/91/92/532609192.db2.gz ABKNRPYSFOMECI-HNNXBMFYSA-N 1 1 379.917 2.451 20 0 GEADMO CCOC(=O)c1coc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000474617541 532621923 /nfs/dbraw/zinc/62/19/23/532621923.db2.gz XPSPHLNHKCPHMM-UHFFFAOYSA-N 1 1 386.857 2.178 20 0 GEADMO O=S(=O)(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)ccc1Br ZINC000435221751 532610530 /nfs/dbraw/zinc/61/05/30/532610530.db2.gz CXNZYQMMRQTZRS-STQMWFEESA-N 1 1 377.279 2.493 20 0 GEADMO CC[N@@H+](C)C[C@@H](O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000566482635 532610816 /nfs/dbraw/zinc/61/08/16/532610816.db2.gz VRSILDZKVPCRJN-GFCCVEGCSA-N 1 1 375.420 2.307 20 0 GEADMO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451513 532610877 /nfs/dbraw/zinc/61/08/77/532610877.db2.gz QNWYUZVAWNNOQQ-UHFFFAOYSA-N 1 1 390.908 2.496 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000656275316 532611099 /nfs/dbraw/zinc/61/10/99/532611099.db2.gz JGNXVVLVDFPMMF-LLVKDONJSA-N 1 1 380.290 2.419 20 0 GEADMO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000656275316 532611104 /nfs/dbraw/zinc/61/11/04/532611104.db2.gz JGNXVVLVDFPMMF-LLVKDONJSA-N 1 1 380.290 2.419 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000656275316 532611106 /nfs/dbraw/zinc/61/11/06/532611106.db2.gz JGNXVVLVDFPMMF-LLVKDONJSA-N 1 1 380.290 2.419 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000566466537 532611210 /nfs/dbraw/zinc/61/12/10/532611210.db2.gz OQCZZQYHTNFJJW-BETUJISGSA-N 1 1 382.302 2.120 20 0 GEADMO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451297 532611341 /nfs/dbraw/zinc/61/13/41/532611341.db2.gz IPQDUQUSHXEKBZ-UHFFFAOYSA-N 1 1 394.871 2.494 20 0 GEADMO O=C(c1[nH]nc2ccc(I)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242954 532611869 /nfs/dbraw/zinc/61/18/69/532611869.db2.gz PLSLHFZOLGGNHD-LLVKDONJSA-N 1 1 396.232 2.134 20 0 GEADMO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000566492580 532612483 /nfs/dbraw/zinc/61/24/83/532612483.db2.gz DOSDAMRKXFJPFW-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000566492580 532612489 /nfs/dbraw/zinc/61/24/89/532612489.db2.gz DOSDAMRKXFJPFW-CYBMUJFWSA-N 1 1 390.908 2.494 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474335453 532613082 /nfs/dbraw/zinc/61/30/82/532613082.db2.gz ZIOUUOSKLVWDLK-DOMZBBRYSA-N 1 1 390.311 2.437 20 0 GEADMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000597171714 532613540 /nfs/dbraw/zinc/61/35/40/532613540.db2.gz DRPQKOYEVPNPDR-GFCCVEGCSA-N 1 1 383.290 2.123 20 0 GEADMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000597171714 532613547 /nfs/dbraw/zinc/61/35/47/532613547.db2.gz DRPQKOYEVPNPDR-GFCCVEGCSA-N 1 1 383.290 2.123 20 0 GEADMO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2Br)CC12CCCCC2 ZINC000632533685 532623185 /nfs/dbraw/zinc/62/31/85/532623185.db2.gz BHCRFOITBXXENC-UHFFFAOYSA-N 1 1 388.331 2.483 20 0 GEADMO C[N@H+]1CCN(S(=O)(=O)c2ncccc2Br)CC12CCCCC2 ZINC000632533685 532623190 /nfs/dbraw/zinc/62/31/90/532623190.db2.gz BHCRFOITBXXENC-UHFFFAOYSA-N 1 1 388.331 2.483 20 0 GEADMO O=C(CCCC[NH+]1CCOCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000530528221 532624406 /nfs/dbraw/zinc/62/44/06/532624406.db2.gz LRFIOOQXONCRTJ-UHFFFAOYSA-N 1 1 399.333 2.312 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632544859 532624752 /nfs/dbraw/zinc/62/47/52/532624752.db2.gz ORGUHOTUAGMUGI-JTQLQIEISA-N 1 1 396.376 2.445 20 0 GEADMO C[N@H+](CCNS(=O)(=O)c1cccc2nsnc21)Cc1ccc(F)cc1 ZINC000530664649 532625918 /nfs/dbraw/zinc/62/59/18/532625918.db2.gz SPXAUNWBBDUJHC-UHFFFAOYSA-N 1 1 380.470 2.241 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)c1cccc2nsnc21)Cc1ccc(F)cc1 ZINC000530664649 532625923 /nfs/dbraw/zinc/62/59/23/532625923.db2.gz SPXAUNWBBDUJHC-UHFFFAOYSA-N 1 1 380.470 2.241 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2c(Cl)cccc2Br)CC[N@H+](C)C1 ZINC000597772031 532627040 /nfs/dbraw/zinc/62/70/40/532627040.db2.gz BMZZNXJUYVHETO-SNVBAGLBSA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2c(Cl)cccc2Br)CC[N@@H+](C)C1 ZINC000597772031 532627044 /nfs/dbraw/zinc/62/70/44/532627044.db2.gz BMZZNXJUYVHETO-SNVBAGLBSA-N 1 1 389.677 2.279 20 0 GEADMO C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632612263 532631180 /nfs/dbraw/zinc/63/11/80/532631180.db2.gz IDJLIDNUXHWDSB-CQDKDKBSSA-N 1 1 380.432 2.405 20 0 GEADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000632612551 532631353 /nfs/dbraw/zinc/63/13/53/532631353.db2.gz QRJYZSKICYFXPK-LLVKDONJSA-N 1 1 395.428 2.449 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000566931352 532631412 /nfs/dbraw/zinc/63/14/12/532631412.db2.gz OQIUEIJAXLIUBN-CQSZACIVSA-N 1 1 379.551 2.441 20 0 GEADMO O=C(NCCn1cc(Br)cn1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000376834966 532631411 /nfs/dbraw/zinc/63/14/11/532631411.db2.gz REFQODAAOCAWEZ-CJNGLKHVSA-N 1 1 396.333 2.304 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(Br)s1 ZINC000263649369 532631721 /nfs/dbraw/zinc/63/17/21/532631721.db2.gz DGFPOQAWJDHQGW-NSHDSACASA-N 1 1 388.331 2.183 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566969330 532632471 /nfs/dbraw/zinc/63/24/71/532632471.db2.gz GKNAUUIXYSXDKB-CABCVRRESA-N 1 1 375.282 2.354 20 0 GEADMO CC[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566969330 532632479 /nfs/dbraw/zinc/63/24/79/532632479.db2.gz GKNAUUIXYSXDKB-CABCVRRESA-N 1 1 375.282 2.354 20 0 GEADMO C[C@@H]1CN(Cc2c(F)ccc(I)c2F)CC[N@H+]1CCO ZINC000474931719 532633071 /nfs/dbraw/zinc/63/30/71/532633071.db2.gz IGBZNPHSJNZGLX-SNVBAGLBSA-N 1 1 396.219 2.068 20 0 GEADMO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CNC(=O)C1 ZINC000376913125 532635594 /nfs/dbraw/zinc/63/55/94/532635594.db2.gz ZGZFMWKQNVOLIY-SFHVURJKSA-N 1 1 394.313 2.056 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000567019162 532635719 /nfs/dbraw/zinc/63/57/19/532635719.db2.gz JQLFEFNCLRBBGD-GFCCVEGCSA-N 1 1 392.301 2.365 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000284976081 532635872 /nfs/dbraw/zinc/63/58/72/532635872.db2.gz XFWPZTFBIUJEGJ-LBPRGKRZSA-N 1 1 386.290 2.378 20 0 GEADMO C[C@@H](CNS(=O)(=O)c1ncccc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000656876113 532637667 /nfs/dbraw/zinc/63/76/67/532637667.db2.gz IYIJDOYWCMVKEC-NEPJUHHUSA-N 1 1 376.320 2.243 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000475179379 532639940 /nfs/dbraw/zinc/63/99/40/532639940.db2.gz AKYUJNZAGHREQZ-MFKMUULPSA-N 1 1 386.265 2.434 20 0 GEADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1n[nH]cc1Br ZINC000298326250 532641667 /nfs/dbraw/zinc/64/16/67/532641667.db2.gz KEHWBAXSTUHFGH-ZDUSSCGKSA-N 1 1 379.258 2.402 20 0 GEADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1n[nH]cc1Br ZINC000298326250 532641673 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CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000540910292 532748200 /nfs/dbraw/zinc/74/82/00/532748200.db2.gz ZTSUBPZNBLCCEQ-ZDUSSCGKSA-N 1 1 397.317 2.417 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000616079700 532748462 /nfs/dbraw/zinc/74/84/62/532748462.db2.gz JNAXLGARXIYRFZ-PXAZEXFGSA-N 1 1 375.296 2.285 20 0 GEADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000443723949 532749247 /nfs/dbraw/zinc/74/92/47/532749247.db2.gz ZLCAUDXQOCHVAH-WFASDCNBSA-N 1 1 380.901 2.431 20 0 GEADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000443723949 532749251 /nfs/dbraw/zinc/74/92/51/532749251.db2.gz ZLCAUDXQOCHVAH-WFASDCNBSA-N 1 1 380.901 2.431 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000286488481 532750857 /nfs/dbraw/zinc/75/08/57/532750857.db2.gz MHGVGPFOKCCZIZ-KGLIPLIRSA-N 1 1 396.329 2.474 20 0 GEADMO CSc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1Cl ZINC000411252936 532751529 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GEADMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000412074703 532784676 /nfs/dbraw/zinc/78/46/76/532784676.db2.gz IRWJWEMTJTXCSD-RYUDHWBXSA-N 1 1 388.249 2.323 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000457081451 532785707 /nfs/dbraw/zinc/78/57/07/532785707.db2.gz CYXVPUJVSSKKFA-ZDUSSCGKSA-N 1 1 396.289 2.237 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000457101132 532786590 /nfs/dbraw/zinc/78/65/90/532786590.db2.gz PDUGWOPWRKDAFE-VIFPVBQESA-N 1 1 379.657 2.380 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000457101132 532786594 /nfs/dbraw/zinc/78/65/94/532786594.db2.gz PDUGWOPWRKDAFE-VIFPVBQESA-N 1 1 379.657 2.380 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000457115490 532786901 /nfs/dbraw/zinc/78/69/01/532786901.db2.gz IILSAUTWQKLTSG-AWEZNQCLSA-N 1 1 385.302 2.051 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000457115490 532786904 /nfs/dbraw/zinc/78/69/04/532786904.db2.gz IILSAUTWQKLTSG-AWEZNQCLSA-N 1 1 385.302 2.051 20 0 GEADMO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457125315 532787243 /nfs/dbraw/zinc/78/72/43/532787243.db2.gz OCMWJCMZTUDICE-LBPRGKRZSA-N 1 1 394.313 2.306 20 0 GEADMO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457125315 532787248 /nfs/dbraw/zinc/78/72/48/532787248.db2.gz OCMWJCMZTUDICE-LBPRGKRZSA-N 1 1 394.313 2.306 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCSc1ccccc1Br ZINC000457140043 532787373 /nfs/dbraw/zinc/78/73/73/532787373.db2.gz XIVWCHHHUMUHNE-CYBMUJFWSA-N 1 1 387.343 2.456 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCSc1ccccc1Br ZINC000457140043 532787378 /nfs/dbraw/zinc/78/73/78/532787378.db2.gz XIVWCHHHUMUHNE-CYBMUJFWSA-N 1 1 387.343 2.456 20 0 GEADMO C[N@@H+](CCCCNC(=O)CNC(=O)c1ccc(Br)s1)C1CC1 ZINC000457164285 532788547 /nfs/dbraw/zinc/78/85/47/532788547.db2.gz IOFOXBCKZIEKAL-UHFFFAOYSA-N 1 1 388.331 2.231 20 0 GEADMO CC[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]cc3Br)cc2F)CC1 ZINC000412350001 532788987 /nfs/dbraw/zinc/78/89/87/532788987.db2.gz WKIKHWOZOZFDRB-UHFFFAOYSA-N 1 1 396.264 2.706 20 0 GEADMO CNc1cc(I)ccc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000412360443 532789347 /nfs/dbraw/zinc/78/93/47/532789347.db2.gz JLNOEPDSWUCBGW-PHIMTYICSA-N 1 1 387.265 2.498 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457322250 532790100 /nfs/dbraw/zinc/79/01/00/532790100.db2.gz DXIOADRYRXGIPO-CJNGLKHVSA-N 1 1 382.302 2.476 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457322252 532790213 /nfs/dbraw/zinc/79/02/13/532790213.db2.gz DXIOADRYRXGIPO-CZUORRHYSA-N 1 1 382.302 2.476 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000412437151 532792131 /nfs/dbraw/zinc/79/21/31/532792131.db2.gz PWDCFXVTHBNETR-UHFFFAOYSA-N 1 1 399.329 2.106 20 0 GEADMO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CC=CCC2)c1Br ZINC000287418348 532795079 /nfs/dbraw/zinc/79/50/79/532795079.db2.gz 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GEADMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cc(Br)cn3C)CCC[N@H+]2C)cn1 ZINC000370902746 532946025 /nfs/dbraw/zinc/94/60/25/532946025.db2.gz COXPRSQYUFPPMF-WBMJQRKESA-N 1 1 394.317 2.334 20 0 GEADMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000370623126 532944574 /nfs/dbraw/zinc/94/45/74/532944574.db2.gz VRDKEKZMTMGBMA-UHFFFAOYSA-N 1 1 399.314 2.130 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000371324849 532947476 /nfs/dbraw/zinc/94/74/76/532947476.db2.gz ABUAXIAPUZKAAG-CQSZACIVSA-N 1 1 385.917 2.210 20 0 GEADMO CN1CC[NH+](C[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)CC1 ZINC000371422941 532947932 /nfs/dbraw/zinc/94/79/32/532947932.db2.gz AOVHVBMKWJVWLS-AWEZNQCLSA-N 1 1 389.924 2.127 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000371411961 532947946 /nfs/dbraw/zinc/94/79/46/532947946.db2.gz QZAHGGOTYCGNGJ-MRXNPFEDSA-N 1 1 392.297 2.054 20 0 GEADMO Cn1nc(-c2ccccc2)c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1Cl ZINC000371421211 532948039 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GEADMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000024590509 570386710 /nfs/dbraw/zinc/38/67/10/570386710.db2.gz NISYIGQLESDPPH-FQEVSTJZSA-N 1 1 397.519 2.299 20 0 in-vitro GEADMO CN(C)c1nc(C[N@H+](C)[C@H]2CCN(c3nc4cc(F)ccc4o3)C2)cc(=O)[nH]1 ZINC000275574392 570696522 /nfs/dbraw/zinc/69/65/22/570696522.db2.gz GZILBJONUZHIGK-AWEZNQCLSA-N 1 1 386.431 2.239 20 0 GEADMO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(c3nc4cc(F)ccc4o3)C2)cc(=O)[nH]1 ZINC000275574392 570696526 /nfs/dbraw/zinc/69/65/26/570696526.db2.gz GZILBJONUZHIGK-AWEZNQCLSA-N 1 1 386.431 2.239 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737879610 598833580 /nfs/dbraw/zinc/83/35/80/598833580.db2.gz WMNJNSWVCOSAKN-LJQANCHMSA-N 1 1 392.463 2.026 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737879610 598833582 /nfs/dbraw/zinc/83/35/82/598833582.db2.gz WMNJNSWVCOSAKN-LJQANCHMSA-N 1 1 392.463 2.026 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292037 598834389 /nfs/dbraw/zinc/83/43/89/598834389.db2.gz HKXXDQIZMAFBNW-JSGCOSHPSA-N 1 1 389.891 2.017 20 0 GEADMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736453899 598898519 /nfs/dbraw/zinc/89/85/19/598898519.db2.gz SAKJBQCVQRKGDJ-UHFFFAOYSA-N 1 1 391.545 2.311 20 0 GEADMO Cc1ncsc1CC[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737502627 598899821 /nfs/dbraw/zinc/89/98/21/598899821.db2.gz GIVUFVUHEFVQCL-UHFFFAOYSA-N 1 1 383.525 2.382 20 0 GEADMO Cc1ncsc1CCN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737502627 598899822 /nfs/dbraw/zinc/89/98/22/598899822.db2.gz GIVUFVUHEFVQCL-UHFFFAOYSA-N 1 1 383.525 2.382 20 0 GEADMO Cc1ncsc1CCN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737502627 598899824 /nfs/dbraw/zinc/89/98/24/598899824.db2.gz GIVUFVUHEFVQCL-UHFFFAOYSA-N 1 1 383.525 2.382 20 0 GEADMO FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Nc3nccnc3-c3nn[nH]n3)C2)cc1 ZINC000737636533 598914677 /nfs/dbraw/zinc/91/46/77/598914677.db2.gz VQNNPBRXBSDBNO-CYBMUJFWSA-N 1 1 390.373 2.362 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848454 598932914 /nfs/dbraw/zinc/93/29/14/598932914.db2.gz MQSWQVXWYJVVBJ-MRXNPFEDSA-N 1 1 392.463 2.127 20 0 GEADMO Cc1ccc(N2CCC[C@H](N(C)c3[nH+]c(C)cc(C)c3-c3nn[nH]n3)C2)nn1 ZINC000737351683 598941479 /nfs/dbraw/zinc/94/14/79/598941479.db2.gz NAELZIIFVWNRAB-HNNXBMFYSA-N 1 1 379.472 2.082 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCOC1 ZINC000736535050 598945441 /nfs/dbraw/zinc/94/54/41/598945441.db2.gz PYFRGLODYQHEKV-GFCCVEGCSA-N 1 1 378.864 2.207 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000737033673 598980815 /nfs/dbraw/zinc/98/08/15/598980815.db2.gz XCKVGTKFCFIBJZ-UHFFFAOYSA-N 1 1 394.479 2.385 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000737031271 598980552 /nfs/dbraw/zinc/98/05/52/598980552.db2.gz DKYNYSKZLKVLSB-UHFFFAOYSA-N 1 1 398.442 2.215 20 0 GEADMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612233 598994422 /nfs/dbraw/zinc/99/44/22/598994422.db2.gz MJKOWHVIYNTPCG-MSOLQXFVSA-N 1 1 398.511 2.153 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[C@H]1C ZINC000736565743 599007797 /nfs/dbraw/zinc/00/77/97/599007797.db2.gz PLUREDHMXXLTCX-NEPJUHHUSA-N 1 1 398.920 2.013 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736849407 599024053 /nfs/dbraw/zinc/02/40/53/599024053.db2.gz TXFDARAIZWMVKK-INIZCTEOSA-N 1 1 392.463 2.127 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736856051 599029619 /nfs/dbraw/zinc/02/96/19/599029619.db2.gz KQBAFODPNYDOOT-SFHVURJKSA-N 1 1 392.463 2.270 20 0 GEADMO Cc1nc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473621 599072981 /nfs/dbraw/zinc/07/29/81/599072981.db2.gz FBQGSFYQKATMHU-HOTGVXAUSA-N 1 1 397.508 2.346 20 0 GEADMO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736802959 599077778 /nfs/dbraw/zinc/07/77/78/599077778.db2.gz ZWUZKIUARBDDMU-IBGZPJMESA-N 1 1 392.463 2.373 20 0 GEADMO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736802033 599083084 /nfs/dbraw/zinc/08/30/84/599083084.db2.gz OJHRSDILRFLSJM-LJQANCHMSA-N 1 1 392.463 2.373 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[C@H]1c1cccs1 ZINC000736856737 599084803 /nfs/dbraw/zinc/08/48/03/599084803.db2.gz MNOPVDHJBMHJKX-LRDDRELGSA-N 1 1 383.481 2.136 20 0 GEADMO CN(C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736856724 599104635 /nfs/dbraw/zinc/10/46/35/599104635.db2.gz MLPVUSSKVWKQRE-MRXNPFEDSA-N 1 1 396.451 2.205 20 0 GEADMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)[C@@H]1C ZINC000736264052 599137619 /nfs/dbraw/zinc/13/76/19/599137619.db2.gz BFIPMSWGMQMISH-ZIAGYGMSSA-N 1 1 380.456 2.111 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000823234812 599165291 /nfs/dbraw/zinc/16/52/91/599165291.db2.gz OIYPKJXAOSKUNB-SFHVURJKSA-N 1 1 380.427 2.287 20 0 GEADMO COc1cc(C[N@H+]2CC[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737044690 599208691 /nfs/dbraw/zinc/20/86/91/599208691.db2.gz CMYYDZQCVZVWQL-KRWDZBQOSA-N 1 1 381.436 2.021 20 0 GEADMO O=C(C[N@H+](CCc1ccc(F)cc1)C1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737865294 599217461 /nfs/dbraw/zinc/21/74/61/599217461.db2.gz PHJGVBURRGQTHI-UHFFFAOYSA-N 1 1 394.454 2.329 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736295381 599230380 /nfs/dbraw/zinc/23/03/80/599230380.db2.gz USZHZPHTPXYOFW-MAUKXSAKSA-N 1 1 378.484 2.246 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000735549570 599234492 /nfs/dbraw/zinc/23/44/92/599234492.db2.gz ASJXFMQHVSKNNH-NSHDSACASA-N 1 1 378.864 2.348 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1CCCOC(C)(C)C1 ZINC000735549570 599234493 /nfs/dbraw/zinc/23/44/93/599234493.db2.gz ASJXFMQHVSKNNH-NSHDSACASA-N 1 1 378.864 2.348 20 0 GEADMO CCc1nnc(Nc2ccc(N3CCOCC3)[nH+]c2C)c(-c2nn[nH]n2)c1CC ZINC000821548039 607306130 /nfs/dbraw/zinc/30/61/30/607306130.db2.gz GZOXRYASPXEKQY-UHFFFAOYSA-N 1 1 395.471 2.065 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC[N@H+]1C ZINC000820658846 599276248 /nfs/dbraw/zinc/27/62/48/599276248.db2.gz VBJGJZKRXMBDKT-KOLCDFICSA-N 1 1 381.387 2.072 20 0 GEADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC000821377475 598101931 /nfs/dbraw/zinc/10/19/31/598101931.db2.gz GTGLLSGUBGQXCE-UHFFFAOYSA-N 1 1 389.496 2.080 20 0 GEADMO CCN1CC[NH+]([C@H](C)CNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC1 ZINC000821266466 607346327 /nfs/dbraw/zinc/34/63/27/607346327.db2.gz DHPRBGBYTPJFPS-GFCCVEGCSA-N 1 1 383.422 2.323 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000821345105 598203796 /nfs/dbraw/zinc/20/37/96/598203796.db2.gz JSPUNGJTVWFKHZ-FQEVSTJZSA-N 1 1 381.476 2.372 20 0 GEADMO C[N@@H+](CC1CCCCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793895 598233681 /nfs/dbraw/zinc/23/36/81/598233681.db2.gz NXNJHBBVAYEGBG-HXUWFJFHSA-N 1 1 397.483 2.103 20 0 GEADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736143424 598245633 /nfs/dbraw/zinc/24/56/33/598245633.db2.gz IWBUNUXDBSBCBL-GFCCVEGCSA-N 1 1 392.891 2.474 20 0 GEADMO CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736558441 598249244 /nfs/dbraw/zinc/24/92/44/598249244.db2.gz KJEVKLDDEIGQDJ-AWEZNQCLSA-N 1 1 380.452 2.314 20 0 GEADMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736270337 598250169 /nfs/dbraw/zinc/25/01/69/598250169.db2.gz JWWMFPANKWZNGE-BEFAXECRSA-N 1 1 398.511 2.405 20 0 GEADMO CC(C)(C)CCNC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735603371 598250216 /nfs/dbraw/zinc/25/02/16/598250216.db2.gz ZWKFUKLEALUAGC-UHFFFAOYSA-N 1 1 386.500 2.262 20 0 GEADMO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@H+]1CCCC[C@H]1C ZINC000736267140 598317526 /nfs/dbraw/zinc/31/75/26/598317526.db2.gz MBLZQGDKYZJSRQ-OLZOCXBDSA-N 1 1 375.452 2.068 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736267884 598318303 /nfs/dbraw/zinc/31/83/03/598318303.db2.gz UTNOUOBIRRQKQA-CQSZACIVSA-N 1 1 389.479 2.317 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@H](c2ccccc2)C1 ZINC000736857247 598329244 /nfs/dbraw/zinc/32/92/44/598329244.db2.gz OSRGBPNEBYUODE-SFHVURJKSA-N 1 1 395.442 2.204 20 0 GEADMO C[N@H+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@H](c2ccccc2)C1 ZINC000736857247 598329246 /nfs/dbraw/zinc/32/92/46/598329246.db2.gz OSRGBPNEBYUODE-SFHVURJKSA-N 1 1 395.442 2.204 20 0 GEADMO CC(C)C[C@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735795166 598334031 /nfs/dbraw/zinc/33/40/31/598334031.db2.gz MBGIWEFEDXUOJV-MRXNPFEDSA-N 1 1 397.483 2.099 20 0 GEADMO CCC(CC)C[N@@H+](CC)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736338236 598334779 /nfs/dbraw/zinc/33/47/79/598334779.db2.gz QUZOATVBFZOCCK-UHFFFAOYSA-N 1 1 399.499 2.347 20 0 GEADMO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000735951947 598348162 /nfs/dbraw/zinc/34/81/62/598348162.db2.gz ADKQSKHYBPYKIR-CQSZACIVSA-N 1 1 382.472 2.252 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736859057 598354378 /nfs/dbraw/zinc/35/43/78/598354378.db2.gz CTSANCXFKODLKO-HOTGVXAUSA-N 1 1 389.891 2.017 20 0 GEADMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444690 598355982 /nfs/dbraw/zinc/35/59/82/598355982.db2.gz OJUBZGZLKWCLKU-YOEHRIQHSA-N 1 1 380.456 2.036 20 0 GEADMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444690 598355983 /nfs/dbraw/zinc/35/59/83/598355983.db2.gz OJUBZGZLKWCLKU-YOEHRIQHSA-N 1 1 380.456 2.036 20 0 GEADMO C[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736291939 598365945 /nfs/dbraw/zinc/36/59/45/598365945.db2.gz ZXSIZXGMYHUDAK-UZLBHIALSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000736291939 598365946 /nfs/dbraw/zinc/36/59/46/598365946.db2.gz ZXSIZXGMYHUDAK-UZLBHIALSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCN1C[C@H](O)c1ccccc1 ZINC000736291939 598365949 /nfs/dbraw/zinc/36/59/49/598365949.db2.gz ZXSIZXGMYHUDAK-UZLBHIALSA-N 1 1 378.480 2.106 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)oc1C ZINC000737476087 598367557 /nfs/dbraw/zinc/36/75/57/598367557.db2.gz AVRNPVNTUMUJLP-UHFFFAOYSA-N 1 1 397.483 2.058 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000068253561 598373012 /nfs/dbraw/zinc/37/30/12/598373012.db2.gz TUTZZHYIVMUMBI-UHFFFAOYSA-N 1 1 383.481 2.482 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@H]1CCCO1 ZINC000736793277 598374038 /nfs/dbraw/zinc/37/40/38/598374038.db2.gz VZQAMRSDLMXZJM-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000735940647 598374532 /nfs/dbraw/zinc/37/45/32/598374532.db2.gz SXVDDUWCKRNLNL-UHFFFAOYSA-N 1 1 394.483 2.111 20 0 GEADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044163 598450184 /nfs/dbraw/zinc/45/01/84/598450184.db2.gz HONASUJKDKDWDC-QGZVFWFLSA-N 1 1 377.452 2.046 20 0 GEADMO CN(CC[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000736791277 598470057 /nfs/dbraw/zinc/47/00/57/598470057.db2.gz CZLNAASVNOIYRD-UHFFFAOYSA-N 1 1 379.468 2.264 20 0 GEADMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736488295 598506319 /nfs/dbraw/zinc/50/63/19/598506319.db2.gz NPDNZHQBWVGGHB-CQSZACIVSA-N 1 1 376.461 2.296 20 0 GEADMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736488295 598506321 /nfs/dbraw/zinc/50/63/21/598506321.db2.gz NPDNZHQBWVGGHB-CQSZACIVSA-N 1 1 376.461 2.296 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735857250 598555610 /nfs/dbraw/zinc/55/56/10/598555610.db2.gz QIHANEVFGNZCBC-UHFFFAOYSA-N 1 1 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FC(F)Oc1ccc2ncc(-c3nn[nH]n3)c(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000737639320 598674260 /nfs/dbraw/zinc/67/42/60/598674260.db2.gz QYDYGPMGHHJEMD-NSHDSACASA-N 1 1 387.394 2.301 20 0 GEADMO O=C(CC[C@H]1CCCCO1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737824314 598681691 /nfs/dbraw/zinc/68/16/91/598681691.db2.gz PLUBRVBAXPGZBU-LJQANCHMSA-N 1 1 398.511 2.250 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736403147 598694612 /nfs/dbraw/zinc/69/46/12/598694612.db2.gz SKGDXWHPBVVFBY-OAHLLOKOSA-N 1 1 386.500 2.262 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736861105 598700702 /nfs/dbraw/zinc/70/07/02/598700702.db2.gz YNXNXVDPBUTMOS-MRXNPFEDSA-N 1 1 378.436 2.483 20 0 GEADMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738301539 598707220 /nfs/dbraw/zinc/70/72/20/598707220.db2.gz CALRMWKVTFKKQV-INIZCTEOSA-N 1 1 379.468 2.096 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 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/nfs/dbraw/zinc/32/25/03/650322503.db2.gz IMTPKYVSHQXXNE-CYBMUJFWSA-N 1 1 395.305 2.878 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCCCCF)CC1 ZINC000455896375 650325472 /nfs/dbraw/zinc/32/54/72/650325472.db2.gz KSRJNVJRBZKKLF-UHFFFAOYSA-N 1 1 388.285 2.467 20 0 GEADMO C[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@H]2C1 ZINC000456070085 650329279 /nfs/dbraw/zinc/32/92/79/650329279.db2.gz ZJMHHXPOOWKQPP-VVLHAWIVSA-N 1 1 379.298 2.484 20 0 GEADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000456356706 650337745 /nfs/dbraw/zinc/33/77/45/650337745.db2.gz RPXGUIHJHLZDAR-GFCCVEGCSA-N 1 1 386.290 2.057 20 0 GEADMO Cn1ccc(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)c1 ZINC000456592069 650350410 /nfs/dbraw/zinc/35/04/10/650350410.db2.gz PMGXVCVKNTTWTI-UHFFFAOYSA-N 1 1 378.274 2.187 20 0 GEADMO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000456710457 650356424 /nfs/dbraw/zinc/35/64/24/650356424.db2.gz GBOFIVQPMMKRCJ-SUMWQHHRSA-N 1 1 399.304 2.482 20 0 GEADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000456724860 650359635 /nfs/dbraw/zinc/35/96/35/650359635.db2.gz PKCDWJVFRGWRKZ-ZDUSSCGKSA-N 1 1 387.318 2.067 20 0 GEADMO Cc1c(Br)cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c(=O)n1C ZINC000457035133 650372120 /nfs/dbraw/zinc/37/21/20/650372120.db2.gz WJNHDBFMIIYXMH-MRXNPFEDSA-N 1 1 390.281 2.243 20 0 GEADMO CC[N@H+](CCNC(=O)C(=O)Nc1nc(C2CC2)cs1)CCC(F)(F)F ZINC000500393746 650375996 /nfs/dbraw/zinc/37/59/96/650375996.db2.gz ZFEAJOWOULQHAS-UHFFFAOYSA-N 1 1 378.420 2.350 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1nc(C2CC2)cs1)CCC(F)(F)F ZINC000500393746 650375999 /nfs/dbraw/zinc/37/59/99/650375999.db2.gz ZFEAJOWOULQHAS-UHFFFAOYSA-N 1 1 378.420 2.350 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000500460479 650377971 /nfs/dbraw/zinc/37/79/71/650377971.db2.gz KICURCOERSKYSC-HNNXBMFYSA-N 1 1 389.924 2.270 20 0 GEADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)OC)s1)c1ccco1 ZINC000500666531 650382441 /nfs/dbraw/zinc/38/24/41/650382441.db2.gz KBOSMJAWHSJLSS-LBPRGKRZSA-N 1 1 386.495 2.489 20 0 GEADMO CC(=O)N[C@@H](CC(=O)NC1C[NH+](C(C)C)C1)c1ccc(Br)cc1 ZINC000457711282 650383156 /nfs/dbraw/zinc/38/31/56/650383156.db2.gz AQDHVIVUYBRCND-INIZCTEOSA-N 1 1 382.302 2.225 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457877707 650387979 /nfs/dbraw/zinc/38/79/79/650387979.db2.gz OEWIVAAEMJCJIH-KFWWJZLASA-N 1 1 398.345 2.477 20 0 GEADMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000501443678 650392224 /nfs/dbraw/zinc/39/22/24/650392224.db2.gz FQEJAWZKTLUIMH-GFCCVEGCSA-N 1 1 375.332 2.477 20 0 GEADMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000501443678 650392225 /nfs/dbraw/zinc/39/22/25/650392225.db2.gz FQEJAWZKTLUIMH-GFCCVEGCSA-N 1 1 375.332 2.477 20 0 GEADMO Cc1cc(Cl)c(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1Cl ZINC000501459668 650392454 /nfs/dbraw/zinc/39/24/54/650392454.db2.gz BWTVCHNJTBOLFY-UHFFFAOYSA-N 1 1 376.309 2.405 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000501556907 650395066 /nfs/dbraw/zinc/39/50/66/650395066.db2.gz SIXUZUJBGQHWIB-CYBMUJFWSA-N 1 1 390.311 2.218 20 0 GEADMO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000458115409 650395998 /nfs/dbraw/zinc/39/59/98/650395998.db2.gz RXRQJTOGOSHBPA-DYVFJYSZSA-N 1 1 399.304 2.482 20 0 GEADMO O=C(NCc1sccc1Br)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458139161 650397271 /nfs/dbraw/zinc/39/72/71/650397271.db2.gz KHYATOBAYMDTSN-NSHDSACASA-N 1 1 376.320 2.157 20 0 GEADMO CC[N@@H+](CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1CC1 ZINC000458161429 650398278 /nfs/dbraw/zinc/39/82/78/650398278.db2.gz XPCIBPRIKWTKRR-CYBMUJFWSA-N 1 1 387.293 2.340 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000501980063 650399738 /nfs/dbraw/zinc/39/97/38/650399738.db2.gz PRNNEWIAQPFEQD-QWHCGFSZSA-N 1 1 381.318 2.223 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000501972301 650399873 /nfs/dbraw/zinc/39/98/73/650399873.db2.gz FJFOHGYWEUBJJL-PSVOKBTDSA-N 1 1 379.353 2.488 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000501972301 650399876 /nfs/dbraw/zinc/39/98/76/650399876.db2.gz FJFOHGYWEUBJJL-PSVOKBTDSA-N 1 1 379.353 2.488 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000502007586 650400201 /nfs/dbraw/zinc/40/02/01/650400201.db2.gz MFGWPCCGJOKCJJ-KGLIPLIRSA-N 1 1 388.339 2.039 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458388327 650402078 /nfs/dbraw/zinc/40/20/78/650402078.db2.gz YDRWSMVUEXESGR-MRXNPFEDSA-N 1 1 384.318 2.404 20 0 GEADMO COC(=O)c1csc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000502196291 650403013 /nfs/dbraw/zinc/40/30/13/650403013.db2.gz OQMAAMZHVZWILB-UHFFFAOYSA-N 1 1 382.507 2.335 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000458438575 650403802 /nfs/dbraw/zinc/40/38/02/650403802.db2.gz QEPZTRGRVWRWGM-GOEBONIOSA-N 1 1 397.317 2.411 20 0 GEADMO CC1(C)CNC(=O)C[N@@H+]1CCCOc1cccc(I)c1 ZINC000502511031 650407537 /nfs/dbraw/zinc/40/75/37/650407537.db2.gz LBROEYQQPCUHSD-UHFFFAOYSA-N 1 1 388.249 2.271 20 0 GEADMO CC1(C)CNC(=O)C[N@H+]1CCCOc1cccc(I)c1 ZINC000502511031 650407541 /nfs/dbraw/zinc/40/75/41/650407541.db2.gz LBROEYQQPCUHSD-UHFFFAOYSA-N 1 1 388.249 2.271 20 0 GEADMO Cc1cccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1Br ZINC000502589904 650408916 /nfs/dbraw/zinc/40/89/16/650408916.db2.gz WCVJCRBGCFYUHF-KBPBESRZSA-N 1 1 384.318 2.354 20 0 GEADMO C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc(F)c(Br)c1 ZINC000458892764 650413576 /nfs/dbraw/zinc/41/35/76/650413576.db2.gz RTWPQXVITGCSRE-NWDGAFQWSA-N 1 1 388.281 2.357 20 0 GEADMO COC(=O)CCC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503269866 650416708 /nfs/dbraw/zinc/41/67/08/650416708.db2.gz NDFZOIJEMBSRSH-UHFFFAOYSA-N 1 1 377.304 2.402 20 0 GEADMO COC(=O)CCC[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503269866 650416709 /nfs/dbraw/zinc/41/67/09/650416709.db2.gz NDFZOIJEMBSRSH-UHFFFAOYSA-N 1 1 377.304 2.402 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000503503677 650418635 /nfs/dbraw/zinc/41/86/35/650418635.db2.gz HYGDINKAYOEHGN-NXEZZACHSA-N 1 1 395.294 2.358 20 0 GEADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000503655920 650420842 /nfs/dbraw/zinc/42/08/42/650420842.db2.gz WVFWBJSHEYIGIL-UHFFFAOYSA-N 1 1 377.844 2.458 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459004226 650416759 /nfs/dbraw/zinc/41/67/59/650416759.db2.gz DGIJLIVRVPYGJP-UHFFFAOYSA-N 1 1 392.301 2.210 20 0 GEADMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459480364 650425822 /nfs/dbraw/zinc/42/58/22/650425822.db2.gz NPYDVQLDUBMIAI-VXGBXAGGSA-N 1 1 377.304 2.105 20 0 GEADMO CC[C@@H](C[N@H+](C)Cc1cn(CC(N)=O)nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000459490965 650426211 /nfs/dbraw/zinc/42/62/11/650426211.db2.gz CKDVXMGJHUTTNX-LBPRGKRZSA-N 1 1 386.283 2.360 20 0 GEADMO CC[C@@H](C[N@@H+](C)Cc1cn(CC(N)=O)nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000459490965 650426214 /nfs/dbraw/zinc/42/62/14/650426214.db2.gz CKDVXMGJHUTTNX-LBPRGKRZSA-N 1 1 386.283 2.360 20 0 GEADMO Cc1cc(C2CC[NH+](Cc3cn(CC(N)=O)nn3)CC2)ccc1Br ZINC000459488792 650426284 /nfs/dbraw/zinc/42/62/84/650426284.db2.gz JMKIZJNJISZGJF-UHFFFAOYSA-N 1 1 392.301 2.214 20 0 GEADMO CC(C)[C@@](C)([NH2+]Cc1cn(CC(N)=O)nn1)c1ccc(Br)cc1 ZINC000459526733 650427473 /nfs/dbraw/zinc/42/74/73/650427473.db2.gz PNCSEKFYRXFFCD-MRXNPFEDSA-N 1 1 380.290 2.187 20 0 GEADMO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459551966 650428473 /nfs/dbraw/zinc/42/84/73/650428473.db2.gz UOIYULKKAXHBFX-LBPRGKRZSA-N 1 1 377.304 2.058 20 0 GEADMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000459645229 650429710 /nfs/dbraw/zinc/42/97/10/650429710.db2.gz LBBLONLYYOAHBP-UHFFFAOYSA-N 1 1 384.299 2.432 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)c1ccnn1C ZINC000459700897 650429920 /nfs/dbraw/zinc/42/99/20/650429920.db2.gz DPGRMCLNRHTHSM-INIZCTEOSA-N 1 1 390.285 2.500 20 0 GEADMO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c(Br)c1 ZINC000459752702 650432312 /nfs/dbraw/zinc/43/23/12/650432312.db2.gz LPSJPEQBQOZVCS-BXUZGUMPSA-N 1 1 381.274 2.141 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccnn2C)ccc1Br ZINC000459772978 650432422 /nfs/dbraw/zinc/43/24/22/650432422.db2.gz TXUIUBRGHUQQLK-SMDDNHRTSA-N 1 1 381.274 2.141 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000460255625 650440903 /nfs/dbraw/zinc/44/09/03/650440903.db2.gz GGLBXWUKEKVCKL-GOSISDBHSA-N 1 1 396.329 2.237 20 0 GEADMO CC[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272568 650441140 /nfs/dbraw/zinc/44/11/40/650441140.db2.gz ZDXYQKKIHYNFRH-KDOFPFPSSA-N 1 1 398.345 2.384 20 0 GEADMO Cc1ccc(Br)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000460854062 650446957 /nfs/dbraw/zinc/44/69/57/650446957.db2.gz GZFRZNIHIIMXKG-ZDUSSCGKSA-N 1 1 382.302 2.075 20 0 GEADMO C[N@@H+](CCCOc1cccc(I)c1)[C@@]1(CO)CCOC1 ZINC000461378318 650453067 /nfs/dbraw/zinc/45/30/67/650453067.db2.gz JYILDCBSFHTFHZ-OAHLLOKOSA-N 1 1 391.249 2.143 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cnc(CC)s2)[C@@H](C)C1 ZINC000460955924 650448727 /nfs/dbraw/zinc/44/87/27/650448727.db2.gz JKPQDJLGHJEJGO-KBPBESRZSA-N 1 1 375.560 2.121 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000507334435 650458863 /nfs/dbraw/zinc/45/88/63/650458863.db2.gz HIOMEELNZJQPDW-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000507334435 650458865 /nfs/dbraw/zinc/45/88/65/650458865.db2.gz HIOMEELNZJQPDW-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000461635827 650457856 /nfs/dbraw/zinc/45/78/56/650457856.db2.gz HROGCJGUHYLNSN-NSHDSACASA-N 1 1 390.347 2.477 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@@H](C)C1 ZINC000507444279 650460431 /nfs/dbraw/zinc/46/04/31/650460431.db2.gz ORAGAYKQTPEZSN-JTQLQIEISA-N 1 1 375.803 2.433 20 0 GEADMO 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2.434 20 0 GEADMO CC(C)[C@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H](C)[NH3+] ZINC000423136343 648584089 /nfs/dbraw/zinc/58/40/89/648584089.db2.gz PDOQSUSVLSHJLW-YGRLFVJLSA-N 1 1 380.290 2.470 20 0 GEADMO CC(C)[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H](C)[NH3+] ZINC000423136343 648584094 /nfs/dbraw/zinc/58/40/94/648584094.db2.gz PDOQSUSVLSHJLW-YGRLFVJLSA-N 1 1 380.290 2.470 20 0 GEADMO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423371469 648590020 /nfs/dbraw/zinc/59/00/20/648590020.db2.gz QQWMJUUVJLFLFX-DLOVCJGASA-N 1 1 376.320 2.017 20 0 GEADMO [NH3+]C1(c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)CCCCC1 ZINC000424339971 648623110 /nfs/dbraw/zinc/62/31/10/648623110.db2.gz FRBVPZXVRBMOLO-UHFFFAOYSA-N 1 1 376.891 2.381 20 0 GEADMO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000424469727 648629662 /nfs/dbraw/zinc/62/96/62/648629662.db2.gz ZLWVYZAQSSTJGN-CHWSQXEVSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 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2.208 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](Cc2nccc(N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425516779 648683260 /nfs/dbraw/zinc/68/32/60/648683260.db2.gz JTVWVRORVHMNTB-UONOGXRCSA-N 1 1 391.269 2.210 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](Cc2nccc(N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425516779 648683268 /nfs/dbraw/zinc/68/32/68/648683268.db2.gz JTVWVRORVHMNTB-UONOGXRCSA-N 1 1 391.269 2.210 20 0 GEADMO CCN(C)C(=O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425522265 648683701 /nfs/dbraw/zinc/68/37/01/648683701.db2.gz VKPRFKLMLVFTGZ-CABCVRRESA-N 1 1 383.286 2.116 20 0 GEADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425757279 648696000 /nfs/dbraw/zinc/69/60/00/648696000.db2.gz OTVQXMZJCGYAJZ-UWVGGRQHSA-N 1 1 375.803 2.431 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425757279 648696005 /nfs/dbraw/zinc/69/60/05/648696005.db2.gz OTVQXMZJCGYAJZ-UWVGGRQHSA-N 1 1 375.803 2.431 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425813342 648698082 /nfs/dbraw/zinc/69/80/82/648698082.db2.gz OSCUYWZIOBEMCG-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@@H]2C1 ZINC000425816710 648698990 /nfs/dbraw/zinc/69/89/90/648698990.db2.gz GKNIICYBGJXULM-IINYFYTJSA-N 1 1 384.249 2.079 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428574604 648738299 /nfs/dbraw/zinc/73/82/99/648738299.db2.gz NHVLNGBWGAATBX-CQSZACIVSA-N 1 1 387.933 2.275 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000428606346 648741199 /nfs/dbraw/zinc/74/11/99/648741199.db2.gz ZOFSCPOGHAQXJK-FRFSOERESA-N 1 1 398.345 2.382 20 0 GEADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429118899 648745546 /nfs/dbraw/zinc/74/55/46/648745546.db2.gz YUQFVQJIAJYXHK-DOMZBBRYSA-N 1 1 385.917 2.367 20 0 GEADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429118899 648745553 /nfs/dbraw/zinc/74/55/53/648745553.db2.gz YUQFVQJIAJYXHK-DOMZBBRYSA-N 1 1 385.917 2.367 20 0 GEADMO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000429141222 648746418 /nfs/dbraw/zinc/74/64/18/648746418.db2.gz JQHLITWAQDXRFR-KCJUWKMLSA-N 1 1 384.221 2.025 20 0 GEADMO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429260199 648748430 /nfs/dbraw/zinc/74/84/30/648748430.db2.gz ZVDLADZJCYNNDI-INIZCTEOSA-N 1 1 379.444 2.365 20 0 GEADMO CC(C)(C(N)=O)[NH+]1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000431821591 648772005 /nfs/dbraw/zinc/77/20/05/648772005.db2.gz GYPUOQGHPDGMKG-UHFFFAOYSA-N 1 1 377.286 2.383 20 0 GEADMO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(Br)cn1 ZINC000435745558 648787001 /nfs/dbraw/zinc/78/70/01/648787001.db2.gz NURMKAWABBMWBN-UHFFFAOYSA-N 1 1 378.270 2.301 20 0 GEADMO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000435957196 648790800 /nfs/dbraw/zinc/79/08/00/648790800.db2.gz ISIIISLYJASBMC-MRVPVSSYSA-N 1 1 387.221 2.450 20 0 GEADMO COc1cc(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)c(OC)cc1Cl ZINC000439014975 648807813 /nfs/dbraw/zinc/80/78/13/648807813.db2.gz LZNFWROXHNYFIV-LBPRGKRZSA-N 1 1 388.917 2.486 20 0 GEADMO COc1cc(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)c(OC)cc1Cl ZINC000439014975 648807817 /nfs/dbraw/zinc/80/78/17/648807817.db2.gz LZNFWROXHNYFIV-LBPRGKRZSA-N 1 1 388.917 2.486 20 0 GEADMO O=C(C[N@H+](CCO)[C@H]1CCCSC1)NCCc1nc2ccccc2s1 ZINC000439008572 648807882 /nfs/dbraw/zinc/80/78/82/648807882.db2.gz WSEIAGRLBCLGFZ-AWEZNQCLSA-N 1 1 379.551 2.145 20 0 GEADMO C[C@@]1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000440834979 648815420 /nfs/dbraw/zinc/81/54/20/648815420.db2.gz BLYWMVDYTJJRNA-CYBMUJFWSA-N 1 1 383.258 2.395 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(F)cc2Br)C[C@@H]1C ZINC000441111952 648820313 /nfs/dbraw/zinc/82/03/13/648820313.db2.gz JVWRUMBJZMMUFE-QWRGUYRKSA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(F)cc2Br)C[C@@H]1C ZINC000441111952 648820317 /nfs/dbraw/zinc/82/03/17/648820317.db2.gz JVWRUMBJZMMUFE-QWRGUYRKSA-N 1 1 386.265 2.468 20 0 GEADMO COCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000441330298 648825417 /nfs/dbraw/zinc/82/54/17/648825417.db2.gz FSQAOUMORSCVLQ-UHFFFAOYSA-N 1 1 376.837 2.287 20 0 GEADMO Cc1cc(N(C)S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc[nH+]1 ZINC000443051830 648857812 /nfs/dbraw/zinc/85/78/12/648857812.db2.gz UEUIESGVQZLGMP-UHFFFAOYSA-N 1 1 384.255 2.077 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@H+]1C ZINC000443681169 648883669 /nfs/dbraw/zinc/88/36/69/648883669.db2.gz JRCFNSBHZBCEME-BDAKNGLRSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[N@@H+]1C ZINC000443681169 648883671 /nfs/dbraw/zinc/88/36/71/648883671.db2.gz JRCFNSBHZBCEME-BDAKNGLRSA-N 1 1 390.228 2.217 20 0 GEADMO NS(=O)(=O)C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000443848529 648889404 /nfs/dbraw/zinc/88/94/04/648889404.db2.gz AJYPRDXNGMVWMT-OAHLLOKOSA-N 1 1 388.917 2.151 20 0 GEADMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cnc3n2CCC3)[C@H]1c1cccs1 ZINC000548122488 651064585 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C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000551237901 651121144 /nfs/dbraw/zinc/12/11/44/651121144.db2.gz LLPLOKBQTTVRFT-BXUZGUMPSA-N 1 1 399.276 2.445 20 0 GEADMO C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000551237901 651121145 /nfs/dbraw/zinc/12/11/45/651121145.db2.gz LLPLOKBQTTVRFT-BXUZGUMPSA-N 1 1 399.276 2.445 20 0 GEADMO C[C@@H]1C[C@H](NCC(=O)Nc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000551237903 651121171 /nfs/dbraw/zinc/12/11/71/651121171.db2.gz LLPLOKBQTTVRFT-RISCZKNCSA-N 1 1 399.276 2.445 20 0 GEADMO C[C@@H]1C[C@H](NCC(=O)Nc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000551237903 651121172 /nfs/dbraw/zinc/12/11/72/651121172.db2.gz LLPLOKBQTTVRFT-RISCZKNCSA-N 1 1 399.276 2.445 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCc3ccc(Br)cc3C2)CC1 ZINC000551748217 651131458 /nfs/dbraw/zinc/13/14/58/651131458.db2.gz MWUCTZGUUOHZLQ-AWEZNQCLSA-N 1 1 380.330 2.360 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000551821434 651133670 /nfs/dbraw/zinc/13/36/70/651133670.db2.gz KJGNIHICBQMOGD-UONOGXRCSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000552498458 651150961 /nfs/dbraw/zinc/15/09/61/651150961.db2.gz AJYMKHPBOFNZJA-NEPJUHHUSA-N 1 1 382.302 2.225 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000552748920 651156904 /nfs/dbraw/zinc/15/69/04/651156904.db2.gz MNZWKWPEOINNMC-CQSZACIVSA-N 1 1 398.345 2.297 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Br)c(C(F)(F)F)n1 ZINC000553057809 651163119 /nfs/dbraw/zinc/16/31/19/651163119.db2.gz VBCJEUWSNXSWIO-SNVBAGLBSA-N 1 1 395.223 2.615 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H](C)C1 ZINC000553329351 651172037 /nfs/dbraw/zinc/17/20/37/651172037.db2.gz CWLOUYBPYWKMRP-KGLIPLIRSA-N 1 1 394.313 2.355 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000553647056 651183819 /nfs/dbraw/zinc/18/38/19/651183819.db2.gz AHIMMTQXKCRSHD-ZOWXZIJZSA-N 1 1 380.286 2.153 20 0 GEADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000554507389 651205775 /nfs/dbraw/zinc/20/57/75/651205775.db2.gz HFUSLRVUCAZUAF-UHFFFAOYSA-N 1 1 378.274 2.198 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000554635786 651209188 /nfs/dbraw/zinc/20/91/88/651209188.db2.gz HIXZJCRITPUFOJ-GFCCVEGCSA-N 1 1 378.270 2.457 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000554635786 651209191 /nfs/dbraw/zinc/20/91/91/651209191.db2.gz HIXZJCRITPUFOJ-GFCCVEGCSA-N 1 1 378.270 2.457 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C(C)C ZINC000554729113 651212003 /nfs/dbraw/zinc/21/20/03/651212003.db2.gz AGFNFJCBOYUGJT-JTQLQIEISA-N 1 1 380.436 2.186 20 0 GEADMO CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000555090878 651217726 /nfs/dbraw/zinc/21/77/26/651217726.db2.gz PJZDZKDEIUAUDS-ZDUSSCGKSA-N 1 1 392.301 2.248 20 0 GEADMO CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000555090878 651217729 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397.317 2.410 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC(=O)NCC(F)F ZINC000655767490 652010294 /nfs/dbraw/zinc/01/02/94/652010294.db2.gz FYKXFUYMDSIBPJ-UHFFFAOYSA-N 1 1 387.228 2.414 20 0 GEADMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC(=O)NCC(F)F ZINC000655767299 652010690 /nfs/dbraw/zinc/01/06/90/652010690.db2.gz CQPHVLGLAUHJSV-UHFFFAOYSA-N 1 1 387.228 2.414 20 0 GEADMO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)c1ccnn1C ZINC000655780270 652011116 /nfs/dbraw/zinc/01/11/16/652011116.db2.gz JGXAIMQWGZPYHF-MRXNPFEDSA-N 1 1 390.285 2.500 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000574265525 652012008 /nfs/dbraw/zinc/01/20/08/652012008.db2.gz KKOQMNOYEYHBTI-QWHCGFSZSA-N 1 1 397.317 2.422 20 0 GEADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000574309938 652015164 /nfs/dbraw/zinc/01/51/64/652015164.db2.gz MJXQJCPYYHTVFO-UHFFFAOYSA-N 1 1 385.427 2.006 20 0 GEADMO CN(CCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC[NH+](C)C ZINC000574309938 652015168 /nfs/dbraw/zinc/01/51/68/652015168.db2.gz MJXQJCPYYHTVFO-UHFFFAOYSA-N 1 1 385.427 2.006 20 0 GEADMO Cc1nn(-c2ccccc2Br)cc1CN1CC[NH+](CCO)CC1 ZINC000656248665 652028263 /nfs/dbraw/zinc/02/82/63/652028263.db2.gz HEBGHEYRUULAMD-UHFFFAOYSA-N 1 1 379.302 2.053 20 0 GEADMO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000574559237 652029959 /nfs/dbraw/zinc/02/99/59/652029959.db2.gz GXWHLHCOPAVWCR-LLVKDONJSA-N 1 1 391.331 2.391 20 0 GEADMO CC[C@@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(Cl)s1 ZINC000574742205 652040141 /nfs/dbraw/zinc/04/01/41/652040141.db2.gz GCQHUPLTRSCXBZ-QWHCGFSZSA-N 1 1 384.933 2.458 20 0 GEADMO CC[C@H](NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(Cl)s1 ZINC000574742206 652040234 /nfs/dbraw/zinc/04/02/34/652040234.db2.gz GCQHUPLTRSCXBZ-STQMWFEESA-N 1 1 384.933 2.458 20 0 GEADMO CCn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000656706197 652046687 /nfs/dbraw/zinc/04/66/87/652046687.db2.gz ATEKHDGDWOUUDW-LBPRGKRZSA-N 1 1 389.681 2.243 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000574916116 652051942 /nfs/dbraw/zinc/05/19/42/652051942.db2.gz ZHPMEIVVXPGNAI-CYBMUJFWSA-N 1 1 380.176 2.204 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000574916117 652052051 /nfs/dbraw/zinc/05/20/51/652052051.db2.gz ZHPMEIVVXPGNAI-ZDUSSCGKSA-N 1 1 380.176 2.204 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000574949496 652054182 /nfs/dbraw/zinc/05/41/82/652054182.db2.gz DUNBTBBMRKFUPT-SNVBAGLBSA-N 1 1 379.324 2.024 20 0 GEADMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)C2)C1 ZINC000575009064 652058573 /nfs/dbraw/zinc/05/85/73/652058573.db2.gz UDIZCFZOWBWIAP-KRWDZBQOSA-N 1 1 398.276 2.471 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656890347 652062901 /nfs/dbraw/zinc/06/29/01/652062901.db2.gz GZWMDMPDLPRKJA-GJZGRUSLSA-N 1 1 387.512 2.253 20 0 GEADMO O=C(CCN[C@H](CO)C[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000575180840 652067019 /nfs/dbraw/zinc/06/70/19/652067019.db2.gz FFWQSEJSBCJMDU-INIZCTEOSA-N 1 1 384.318 2.214 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[N@H+]1C ZINC000575201076 652068695 /nfs/dbraw/zinc/06/86/95/652068695.db2.gz UDMWAVFBFJEAEE-PWSUYJOCSA-N 1 1 395.301 2.259 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000575651498 652073121 /nfs/dbraw/zinc/07/31/21/652073121.db2.gz KHSIGNCXGRCOFL-LLVKDONJSA-N 1 1 376.320 2.109 20 0 GEADMO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000575796716 652077938 /nfs/dbraw/zinc/07/79/38/652077938.db2.gz HREBWNGMQNJVRJ-IAQYHMDHSA-N 1 1 385.249 2.279 20 0 GEADMO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[NH+]2CCC1CC2 ZINC000656970788 652078467 /nfs/dbraw/zinc/07/84/67/652078467.db2.gz NEUGZFFCFPJHAM-UHFFFAOYSA-N 1 1 377.279 2.198 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 ZINC000619895927 652083128 /nfs/dbraw/zinc/08/31/28/652083128.db2.gz XMYZHSQJHFPDHG-LLVKDONJSA-N 1 1 388.331 2.183 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000619893680 652083145 /nfs/dbraw/zinc/08/31/45/652083145.db2.gz TVYXMFLLUKNBCL-OAHLLOKOSA-N 1 1 382.302 2.170 20 0 GEADMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cncc(Br)c1 ZINC000619975289 652085102 /nfs/dbraw/zinc/08/51/02/652085102.db2.gz VHFIZPFPRPGBDV-HUUCEWRRSA-N 1 1 380.286 2.217 20 0 GEADMO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000619971853 652085234 /nfs/dbraw/zinc/08/52/34/652085234.db2.gz VTQBQPMIASWWFE-GFCCVEGCSA-N 1 1 389.315 2.363 20 0 GEADMO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000619971853 652085239 /nfs/dbraw/zinc/08/52/39/652085239.db2.gz VTQBQPMIASWWFE-GFCCVEGCSA-N 1 1 389.315 2.363 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000657018841 652088327 /nfs/dbraw/zinc/08/83/27/652088327.db2.gz PDVKRFVTMVDJSF-CYBMUJFWSA-N 1 1 379.295 2.444 20 0 GEADMO OC[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1O ZINC000576020013 652091259 /nfs/dbraw/zinc/09/12/59/652091259.db2.gz RECKWJYDKUONTD-XJKSGUPXSA-N 1 1 378.270 2.081 20 0 GEADMO OC[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1O ZINC000576020011 652091484 /nfs/dbraw/zinc/09/14/84/652091484.db2.gz RECKWJYDKUONTD-CZUORRHYSA-N 1 1 378.270 2.081 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000576068985 652094501 /nfs/dbraw/zinc/09/45/01/652094501.db2.gz DENCBAMVTATIGT-YPMHNXCESA-N 1 1 397.317 2.422 20 0 GEADMO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1)C1CC1 ZINC000576309124 652105089 /nfs/dbraw/zinc/10/50/89/652105089.db2.gz QHCQXDSIBHXAKF-LBPRGKRZSA-N 1 1 386.901 2.363 20 0 GEADMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1)C1CC1 ZINC000576309124 652105101 /nfs/dbraw/zinc/10/51/01/652105101.db2.gz QHCQXDSIBHXAKF-LBPRGKRZSA-N 1 1 386.901 2.363 20 0 GEADMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000620625647 652109983 /nfs/dbraw/zinc/10/99/83/652109983.db2.gz BOZDGTTXCXXAQX-ZDUSSCGKSA-N 1 1 389.949 2.243 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000746639734 652119783 /nfs/dbraw/zinc/11/97/83/652119783.db2.gz NXPATKOKNHYLAW-UHFFFAOYSA-N 1 1 380.290 2.492 20 0 GEADMO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c(C(F)(F)F)n1 ZINC000657161326 652140163 /nfs/dbraw/zinc/14/01/63/652140163.db2.gz NXSRQPHCJSNHBO-NSHDSACASA-N 1 1 380.436 2.124 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(Cl)cc1Cl ZINC000747279312 652154970 /nfs/dbraw/zinc/15/49/70/652154970.db2.gz IDIPXNFAHOVHHW-SNVBAGLBSA-N 1 1 395.308 2.400 20 0 GEADMO O=C1NCCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000657283906 652160087 /nfs/dbraw/zinc/16/00/87/652160087.db2.gz PPCORKRDPNKGKN-MRVPVSSYSA-N 1 1 377.080 2.222 20 0 GEADMO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cccc(F)c1OC(F)F)c1cccs1 ZINC000657416478 652163460 /nfs/dbraw/zinc/16/34/60/652163460.db2.gz SVUNOMQUNMECEJ-NSHDSACASA-N 1 1 395.424 2.413 20 0 GEADMO Fc1cncc(Br)c1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000657466395 652166656 /nfs/dbraw/zinc/16/66/56/652166656.db2.gz UPBXKWWHCLVFBP-LBPRGKRZSA-N 1 1 386.187 2.336 20 0 GEADMO Cc1nn(C)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000657537300 652171157 /nfs/dbraw/zinc/17/11/57/652171157.db2.gz HBXOZROLBKBXFG-UHFFFAOYSA-N 1 1 385.350 2.472 20 0 GEADMO O=C(NCC[NH2+]Cc1ncc(Cl)s1)c1ccc(Br)cn1 ZINC000657563244 652173478 /nfs/dbraw/zinc/17/34/78/652173478.db2.gz JFDCIUZPSKQWQC-UHFFFAOYSA-N 1 1 375.679 2.474 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000657579592 652175344 /nfs/dbraw/zinc/17/53/44/652175344.db2.gz FDPPSOSQNOIQLT-NSHDSACASA-N 1 1 391.269 2.146 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000657578855 652175652 /nfs/dbraw/zinc/17/56/52/652175652.db2.gz MJJIYYFIOJGLPW-UHFFFAOYSA-N 1 1 390.228 2.220 20 0 GEADMO COc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c(Br)c1O ZINC000657636263 652183186 /nfs/dbraw/zinc/18/31/86/652183186.db2.gz BFJMFZFVSGIVHI-ONGXEEELSA-N 1 1 378.288 2.219 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@]12CCC(=O)N1CCS2 ZINC000622576350 652196629 /nfs/dbraw/zinc/19/66/29/652196629.db2.gz BPUREWZILPQQSU-KSSFIOAISA-N 1 1 379.551 2.142 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729692 652198397 /nfs/dbraw/zinc/19/83/97/652198397.db2.gz QPLUNMBJTOFNIP-NOZJJQNGSA-N 1 1 384.249 2.126 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000577588791 652199519 /nfs/dbraw/zinc/19/95/19/652199519.db2.gz XJSBKZCNCIMLJK-SNVBAGLBSA-N 1 1 388.693 2.499 20 0 GEADMO CSc1cc(Cl)ccc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000657841740 652209862 /nfs/dbraw/zinc/20/98/62/652209862.db2.gz JLVBIVRWZFIPST-UHFFFAOYSA-N 1 1 381.889 2.116 20 0 GEADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@H+]1C ZINC000657856151 652211437 /nfs/dbraw/zinc/21/14/37/652211437.db2.gz LQNUFDRCDQACTP-MNOVXSKESA-N 1 1 386.265 2.468 20 0 GEADMO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000657868166 652212006 /nfs/dbraw/zinc/21/20/06/652212006.db2.gz XLKLZMOWYOXDOY-UHFFFAOYSA-N 1 1 386.265 2.388 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748722463 652214299 /nfs/dbraw/zinc/21/42/99/652214299.db2.gz UYHHMVRPTKWGQZ-UHFFFAOYSA-N 1 1 387.933 2.196 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000577770607 652214401 /nfs/dbraw/zinc/21/44/01/652214401.db2.gz RFOCHSKQABHQOC-CYBMUJFWSA-N 1 1 395.301 2.412 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000623028735 652217645 /nfs/dbraw/zinc/21/76/45/652217645.db2.gz VZEJDRFKGFMASY-KGLIPLIRSA-N 1 1 397.269 2.113 20 0 GEADMO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000623025971 652218084 /nfs/dbraw/zinc/21/80/84/652218084.db2.gz ZHMXNUFQNMUKKK-QWHCGFSZSA-N 1 1 385.233 2.436 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@H+](C2CC2)C1 ZINC000657978016 652224024 /nfs/dbraw/zinc/22/40/24/652224024.db2.gz JOXCJVBOLNFZEO-NSHDSACASA-N 1 1 398.276 2.469 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657994887 652227725 /nfs/dbraw/zinc/22/77/25/652227725.db2.gz HUZALXWUIHNCAT-LLVKDONJSA-N 1 1 386.265 2.469 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658007530 652228954 /nfs/dbraw/zinc/22/89/54/652228954.db2.gz VQARQTMTCLWMOZ-NSHDSACASA-N 1 1 386.265 2.375 20 0 GEADMO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000658020630 652232160 /nfs/dbraw/zinc/23/21/60/652232160.db2.gz AJXGSXGNBSCLBU-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CN1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000658095258 652236459 /nfs/dbraw/zinc/23/64/59/652236459.db2.gz FUFZJVISHZQDRA-DZKIICNBSA-N 1 1 381.318 2.036 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2COC(C)(C)C2)cc1Br ZINC000658150477 652239937 /nfs/dbraw/zinc/23/99/37/652239937.db2.gz OGYIYISCYIIFTK-CYBMUJFWSA-N 1 1 398.301 2.133 20 0 GEADMO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000749295976 652244857 /nfs/dbraw/zinc/24/48/57/652244857.db2.gz DCSCREKQOLZNRR-JKSUJKDBSA-N 1 1 377.428 2.260 20 0 GEADMO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000749295976 652244867 /nfs/dbraw/zinc/24/48/67/652244867.db2.gz DCSCREKQOLZNRR-JKSUJKDBSA-N 1 1 377.428 2.260 20 0 GEADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)ncc1Br ZINC000658264720 652248301 /nfs/dbraw/zinc/24/83/01/652248301.db2.gz USOWWVYWNKKYFP-LLVKDONJSA-N 1 1 383.290 2.080 20 0 GEADMO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000658363129 652257119 /nfs/dbraw/zinc/25/71/19/652257119.db2.gz ZGROSPYJVVRJLA-LLVKDONJSA-N 1 1 375.803 2.433 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC000658363058 652257246 /nfs/dbraw/zinc/25/72/46/652257246.db2.gz YYCOEUFKZZPTNN-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000749536146 652257897 /nfs/dbraw/zinc/25/78/97/652257897.db2.gz DVJXEGHBFSFQFK-RUZDIDTESA-N 1 1 379.404 2.158 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(Br)ccc1F)[C@H]1CC[N@@H+](CC)C1 ZINC000658466397 652276859 /nfs/dbraw/zinc/27/68/59/652276859.db2.gz GQTGGDOAEIRXMK-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CCN(C(=O)C(=O)Nc1cc(F)ccc1Br)[C@@H]1CC[N@@H+](CC)C1 ZINC000658468017 652276992 /nfs/dbraw/zinc/27/69/92/652276992.db2.gz LGWFIIGIKGJWTH-GFCCVEGCSA-N 1 1 386.265 2.469 20 0 GEADMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(SCC(F)F)cc1 ZINC000624283393 652279928 /nfs/dbraw/zinc/27/99/28/652279928.db2.gz NIZVJQKSZBGKEU-LLVKDONJSA-N 1 1 379.498 2.185 20 0 GEADMO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000624361549 652283338 /nfs/dbraw/zinc/28/33/38/652283338.db2.gz PFTQRZJTYWHAEA-PHIMTYICSA-N 1 1 377.279 2.412 20 0 GEADMO COCC[N@@H+](C)C[C@@H](O)CN(Cc1csc(Br)c1)C1CC1 ZINC000578761938 652291949 /nfs/dbraw/zinc/29/19/49/652291949.db2.gz UUGFDBDZNRLZFI-CQSZACIVSA-N 1 1 377.348 2.414 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)c2cccn3c(I)cnc23)C1 ZINC000750624664 652302328 /nfs/dbraw/zinc/30/23/28/652302328.db2.gz BFIVLBBGNJMQGY-NSHDSACASA-N 1 1 398.248 2.011 20 0 GEADMO CCOCC[NH+]1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000578901649 652303272 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C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@]1(C)CO ZINC000662150712 652449191 /nfs/dbraw/zinc/44/91/91/652449191.db2.gz RSNYYXJGNZYJKY-XHDPSFHLSA-N 1 1 375.332 2.419 20 0 GEADMO COc1cc(Br)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000662159773 652449531 /nfs/dbraw/zinc/44/95/31/652449531.db2.gz KTXSIIOKPGAGDE-HNNXBMFYSA-N 1 1 399.329 2.497 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000662154973 652449546 /nfs/dbraw/zinc/44/95/46/652449546.db2.gz HVASPEAIMCSMJU-CQSZACIVSA-N 1 1 383.286 2.209 20 0 GEADMO O[C@H](COc1c(Cl)cccc1Cl)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160144 652450018 /nfs/dbraw/zinc/45/00/18/652450018.db2.gz MTOLYYXSRGEQGJ-CABCVRRESA-N 1 1 389.323 2.264 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160152 652450077 /nfs/dbraw/zinc/45/00/77/652450077.db2.gz MTOLYYXSRGEQGJ-LSDHHAIUSA-N 1 1 389.323 2.264 20 0 GEADMO C[C@]1(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCS1 ZINC000628152998 652453197 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O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(I)c1O ZINC000755039435 652455719 /nfs/dbraw/zinc/45/57/19/652455719.db2.gz KOPFJRZSHPHZPN-CHWSQXEVSA-N 1 1 386.233 2.353 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(I)c1O ZINC000755039435 652455723 /nfs/dbraw/zinc/45/57/23/652455723.db2.gz KOPFJRZSHPHZPN-CHWSQXEVSA-N 1 1 386.233 2.353 20 0 GEADMO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(I)c1O ZINC000755057393 652456002 /nfs/dbraw/zinc/45/60/02/652456002.db2.gz XTTVABSOIBJUCC-QWRGUYRKSA-N 1 1 386.233 2.353 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(I)c1O ZINC000755057393 652456007 /nfs/dbraw/zinc/45/60/07/652456007.db2.gz XTTVABSOIBJUCC-QWRGUYRKSA-N 1 1 386.233 2.353 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)co1)c1ccsc1 ZINC000662327571 652456151 /nfs/dbraw/zinc/45/61/51/652456151.db2.gz GYOKOXTYBWKOOK-VIFPVBQESA-N 1 1 376.360 2.113 20 0 GEADMO CN(CCCNC(=O)[C@@H]([NH3+])c1ccccc1Br)CC(F)(F)F ZINC000662387247 652458295 /nfs/dbraw/zinc/45/82/95/652458295.db2.gz JOBAPIGEYCVQEI-LBPRGKRZSA-N 1 1 382.224 2.449 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCN(Cc2cscn2)CC1)c1ccccc1Br ZINC000662404296 652459406 /nfs/dbraw/zinc/45/94/06/652459406.db2.gz FGNKLDOQTAEVQG-OAHLLOKOSA-N 1 1 395.326 2.250 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000628496394 652459970 /nfs/dbraw/zinc/45/99/70/652459970.db2.gz PZKSFEUTCSUEHA-LBPRGKRZSA-N 1 1 378.441 2.058 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000628496394 652459971 /nfs/dbraw/zinc/45/99/71/652459971.db2.gz PZKSFEUTCSUEHA-LBPRGKRZSA-N 1 1 378.441 2.058 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628496617 652460039 /nfs/dbraw/zinc/46/00/39/652460039.db2.gz VKBJMPGOZUYNSC-CYBMUJFWSA-N 1 1 388.555 2.187 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1Br ZINC000662455070 652461803 /nfs/dbraw/zinc/46/18/03/652461803.db2.gz INQWDZZQBGURTE-MLGOLLRUSA-N 1 1 380.286 2.062 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662462021 652462204 /nfs/dbraw/zinc/46/22/04/652462204.db2.gz QGVKBLMUABHTLP-JMSVASOKSA-N 1 1 382.302 2.212 20 0 GEADMO Cc1ncc2c(n1)CC[C@H](NC(=O)c1sc3c(c1Br)C[NH2+]C3)C2 ZINC000662465106 652462632 /nfs/dbraw/zinc/46/26/32/652462632.db2.gz LZKVCFFTIWABSR-JTQLQIEISA-N 1 1 393.310 2.500 20 0 GEADMO Cc1nnc([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3Br)C2)[nH]1 ZINC000662500378 652464456 /nfs/dbraw/zinc/46/44/56/652464456.db2.gz LFNPKXGCSDJGSK-BXUZGUMPSA-N 1 1 378.274 2.282 20 0 GEADMO [NH3+][C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)c1ccccc1Br ZINC000662502337 652464819 /nfs/dbraw/zinc/46/48/19/652464819.db2.gz VPPVQTNHBBTQSC-KRWDZBQOSA-N 1 1 394.313 2.452 20 0 GEADMO [NH3+][C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1Br ZINC000662501647 652464855 /nfs/dbraw/zinc/46/48/55/652464855.db2.gz KPUVCKZNJHVEOT-CJNGLKHVSA-N 1 1 394.313 2.356 20 0 GEADMO [NH3+][C@@H](C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1Br ZINC000662504415 652464904 /nfs/dbraw/zinc/46/49/04/652464904.db2.gz VWBYLSLLCMNPRS-HZPDHXFCSA-N 1 1 394.313 2.499 20 0 GEADMO [NH3+][C@H](C(=O)N1CCCN(CC(F)F)CC1)c1ccccc1Br ZINC000662509044 652465197 /nfs/dbraw/zinc/46/51/97/652465197.db2.gz HUIPCZTXACRYKB-AWEZNQCLSA-N 1 1 376.245 2.248 20 0 GEADMO C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)N1CCCCC1=O ZINC000662542862 652466813 /nfs/dbraw/zinc/46/68/13/652466813.db2.gz CLNRJQWCRLINGH-VIFPVBQESA-N 1 1 386.315 2.245 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000662545377 652467159 /nfs/dbraw/zinc/46/71/59/652467159.db2.gz FUSHGZNJJBJZQY-YGRLFVJLSA-N 1 1 379.309 2.147 20 0 GEADMO O=C(NC[C@H](CO)Cc1cccnc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662546698 652467750 /nfs/dbraw/zinc/46/77/50/652467750.db2.gz ZOBCHIJWWMCFLD-LLVKDONJSA-N 1 1 396.310 2.090 20 0 GEADMO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000662564854 652468138 /nfs/dbraw/zinc/46/81/38/652468138.db2.gz AIWIJLUXJYOZMA-CYBMUJFWSA-N 1 1 378.274 2.239 20 0 GEADMO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000662564854 652468142 /nfs/dbraw/zinc/46/81/42/652468142.db2.gz AIWIJLUXJYOZMA-CYBMUJFWSA-N 1 1 378.274 2.239 20 0 GEADMO C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[NH+]1CCSCC1 ZINC000628741824 652469431 /nfs/dbraw/zinc/46/94/31/652469431.db2.gz RYHKWUSIZPGLEO-WMLDXEAASA-N 1 1 383.945 2.099 20 0 GEADMO C[NH+](C)C[C@H](NS(=O)(=O)CCOCC(F)(F)F)c1ccc(Cl)cc1 ZINC000583016756 652471229 /nfs/dbraw/zinc/47/12/29/652471229.db2.gz GVGPUSGQIQFRFL-ZDUSSCGKSA-N 1 1 388.839 2.441 20 0 GEADMO [NH3+][C@H](C(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1Br ZINC000662823191 652475478 /nfs/dbraw/zinc/47/54/78/652475478.db2.gz OZJMVCCKLLQNQC-HNNXBMFYSA-N 1 1 393.260 2.332 20 0 GEADMO CN(CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)c1ccc(Br)o1 ZINC000628966749 652476346 /nfs/dbraw/zinc/47/63/46/652476346.db2.gz QJKSMRMSLNLOCG-CYBMUJFWSA-N 1 1 398.301 2.247 20 0 GEADMO CN(CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C(=O)c1ccc(Br)o1 ZINC000628966750 652476361 /nfs/dbraw/zinc/47/63/61/652476361.db2.gz QJKSMRMSLNLOCG-ZDUSSCGKSA-N 1 1 398.301 2.247 20 0 GEADMO Cn1cc[nH+]c1[C@H]1CCN(CN2C(=O)C(=O)c3ccc(Br)cc32)C1 ZINC000755792834 652476934 /nfs/dbraw/zinc/47/69/34/652476934.db2.gz XPJUKPIMODXJFV-NSHDSACASA-N 1 1 389.253 2.159 20 0 GEADMO O=C(Nc1ccnc(OCCO)c1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662933094 652478997 /nfs/dbraw/zinc/47/89/97/652478997.db2.gz CYLSNTFWKMMYHL-UHFFFAOYSA-N 1 1 384.255 2.132 20 0 GEADMO C[N@@H+]1CCO[C@@H](CSCC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000583380524 652482359 /nfs/dbraw/zinc/48/23/59/652482359.db2.gz NNVNHVZAGVKVDN-NVXWUHKLSA-N 1 1 377.535 2.413 20 0 GEADMO C[N@H+]1CCO[C@@H](CSCC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000583380524 652482363 /nfs/dbraw/zinc/48/23/63/652482363.db2.gz NNVNHVZAGVKVDN-NVXWUHKLSA-N 1 1 377.535 2.413 20 0 GEADMO CN1CCN(C[C@@H](O)C[NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000583376493 652482570 /nfs/dbraw/zinc/48/25/70/652482570.db2.gz QNJQACBUWOESBR-ZDUSSCGKSA-N 1 1 396.746 2.224 20 0 GEADMO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000629248566 652483000 /nfs/dbraw/zinc/48/30/00/652483000.db2.gz WXXWPSYGHOIRJF-ZBFHGGJFSA-N 1 1 380.330 2.401 20 0 GEADMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000629248563 652483084 /nfs/dbraw/zinc/48/30/84/652483084.db2.gz WXXWPSYGHOIRJF-GDBMZVCRSA-N 1 1 380.330 2.401 20 0 GEADMO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)o1 ZINC000583526851 652488424 /nfs/dbraw/zinc/48/84/24/652488424.db2.gz DHAZCNITNDRMLQ-UHFFFAOYSA-N 1 1 386.857 2.096 20 0 GEADMO O=C(CC[NH+]1CCOCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000756142157 652490090 /nfs/dbraw/zinc/49/00/90/652490090.db2.gz IMUWLTJEDFDZAT-UHFFFAOYSA-N 1 1 379.258 2.296 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C[C@H]1C ZINC000756180071 652491691 /nfs/dbraw/zinc/49/16/91/652491691.db2.gz PJPHFHDSBHTJIJ-VXGBXAGGSA-N 1 1 389.905 2.015 20 0 GEADMO COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583834383 652498774 /nfs/dbraw/zinc/49/87/74/652498774.db2.gz GOSAMVGDSTVWEA-CQSZACIVSA-N 1 1 376.906 2.061 20 0 GEADMO Brc1cnnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000663485493 652501685 /nfs/dbraw/zinc/50/16/85/652501685.db2.gz SDBJHYBMRZDENQ-UHFFFAOYSA-N 1 1 377.290 2.258 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nc(C2CC2)ncc1Br ZINC000663522793 652502706 /nfs/dbraw/zinc/50/27/06/652502706.db2.gz VNWGHJVTQZRWNG-AWEZNQCLSA-N 1 1 396.333 2.471 20 0 GEADMO C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000756840965 652507264 /nfs/dbraw/zinc/50/72/64/652507264.db2.gz FFSYIOOFJXMVGB-BBRMVZONSA-N 1 1 394.313 2.103 20 0 GEADMO C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000756840965 652507267 /nfs/dbraw/zinc/50/72/67/652507267.db2.gz FFSYIOOFJXMVGB-BBRMVZONSA-N 1 1 394.313 2.103 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000756840966 652507318 /nfs/dbraw/zinc/50/73/18/652507318.db2.gz FFSYIOOFJXMVGB-CJNGLKHVSA-N 1 1 394.313 2.103 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000756840966 652507322 /nfs/dbraw/zinc/50/73/22/652507322.db2.gz FFSYIOOFJXMVGB-CJNGLKHVSA-N 1 1 394.313 2.103 20 0 GEADMO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1(C)C ZINC000584122972 652510322 /nfs/dbraw/zinc/51/03/22/652510322.db2.gz HNDYVKYJJVDSIN-UHFFFAOYSA-N 1 1 378.274 2.196 20 0 GEADMO CN1CC[NH+](CCCNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630559432 652511834 /nfs/dbraw/zinc/51/18/34/652511834.db2.gz RSVUUDDJGNCQGF-IEBWSBKVSA-N 1 1 394.357 2.480 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000584276696 652515012 /nfs/dbraw/zinc/51/50/12/652515012.db2.gz XKXSYDBQCGTZLU-LLVKDONJSA-N 1 1 388.331 2.089 20 0 GEADMO CCOc1ccc(OC[C@H](O)C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000584315352 652516128 /nfs/dbraw/zinc/51/61/28/652516128.db2.gz UMYHJNMYFSBUDX-OAHLLOKOSA-N 1 1 398.301 2.416 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cn1 ZINC000584326173 652516762 /nfs/dbraw/zinc/51/67/62/652516762.db2.gz HIGOTWWBMFPGQJ-GFCCVEGCSA-N 1 1 399.310 2.461 20 0 GEADMO Brc1cccc(OCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631048801 652519291 /nfs/dbraw/zinc/51/92/91/652519291.db2.gz LMQVIBDUZTYIDH-CYBMUJFWSA-N 1 1 381.274 2.246 20 0 GEADMO NS(=O)(=O)c1cc(C[NH2+]Cc2cccnc2OCC(F)F)ccc1Cl ZINC000631103881 652520261 /nfs/dbraw/zinc/52/02/61/652520261.db2.gz KIZKQCPRMDVHKR-UHFFFAOYSA-N 1 1 391.827 2.316 20 0 GEADMO C[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C[NH+]1CCOCC1 ZINC000631417395 652523788 /nfs/dbraw/zinc/52/37/88/652523788.db2.gz AHBUWXYTRXQTNF-QRVDHSFSSA-N 1 1 393.325 2.419 20 0 GEADMO C[C@H](CNC(=O)c1ccc2cncc(Br)c2n1)C[NH+]1CCOCC1 ZINC000631420641 652523933 /nfs/dbraw/zinc/52/39/33/652523933.db2.gz TXZSOTAZAVENPU-GFCCVEGCSA-N 1 1 393.285 2.090 20 0 GEADMO C[C@H](NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000664488855 652528555 /nfs/dbraw/zinc/52/85/55/652528555.db2.gz SCRCZDVRQYVPEQ-CQDKDKBSSA-N 1 1 390.311 2.387 20 0 GEADMO C[C@H](NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000664488855 652528559 /nfs/dbraw/zinc/52/85/59/652528559.db2.gz SCRCZDVRQYVPEQ-CQDKDKBSSA-N 1 1 390.311 2.387 20 0 GEADMO C[C@H](NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000664488858 652528609 /nfs/dbraw/zinc/52/86/09/652528609.db2.gz SCRCZDVRQYVPEQ-GLQYFDAESA-N 1 1 390.311 2.387 20 0 GEADMO C[C@H](NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000664488858 652528614 /nfs/dbraw/zinc/52/86/14/652528614.db2.gz SCRCZDVRQYVPEQ-GLQYFDAESA-N 1 1 390.311 2.387 20 0 GEADMO C[C@@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000664489796 652528658 /nfs/dbraw/zinc/52/86/58/652528658.db2.gz ZFEMEMZPXYCOBE-ABAIWWIYSA-N 1 1 388.295 2.485 20 0 GEADMO C[C@@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664489796 652528661 /nfs/dbraw/zinc/52/86/61/652528661.db2.gz ZFEMEMZPXYCOBE-ABAIWWIYSA-N 1 1 388.295 2.485 20 0 GEADMO CC(C)[N@@H+](C)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000584849015 652531802 /nfs/dbraw/zinc/53/18/02/652531802.db2.gz FMGBAWASAPFQAH-HNNXBMFYSA-N 1 1 387.571 2.049 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758237031 652534588 /nfs/dbraw/zinc/53/45/88/652534588.db2.gz VMGNGVARQMKOKU-INIZCTEOSA-N 1 1 390.311 2.438 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)sn1 ZINC000631796136 652534735 /nfs/dbraw/zinc/53/47/35/652534735.db2.gz RGGBFZXNFYONBW-CQSZACIVSA-N 1 1 381.523 2.151 20 0 GEADMO Cc1cc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)sn1 ZINC000631796136 652534738 /nfs/dbraw/zinc/53/47/38/652534738.db2.gz RGGBFZXNFYONBW-CQSZACIVSA-N 1 1 381.523 2.151 20 0 GEADMO C[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000586754292 652539405 /nfs/dbraw/zinc/53/94/05/652539405.db2.gz BGPLDKYMYJUIRQ-IJLUTSLNSA-N 1 1 375.357 2.212 20 0 GEADMO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000631936064 652542134 /nfs/dbraw/zinc/54/21/34/652542134.db2.gz RNATUWGAHCFHHW-NSHDSACASA-N 1 1 394.806 2.417 20 0 GEADMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCNC(=O)c1ccc(Br)cn1 ZINC000665235977 652549030 /nfs/dbraw/zinc/54/90/30/652549030.db2.gz DSKDUUJRPLSJKB-HIFRSBDPSA-N 1 1 383.334 2.474 20 0 GEADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632085391 652550311 /nfs/dbraw/zinc/55/03/11/652550311.db2.gz NSYHRZNTKJGIDP-TUAOUCFPSA-N 1 1 382.452 2.084 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(C)C ZINC000588225272 652550857 /nfs/dbraw/zinc/55/08/57/652550857.db2.gz PYVONWZIGWHGKG-HNNXBMFYSA-N 1 1 387.571 2.138 20 0 GEADMO CN1CC[NH+](CCCNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000665489820 652553480 /nfs/dbraw/zinc/55/34/80/652553480.db2.gz FITPTPRRQCNIPS-UHFFFAOYSA-N 1 1 398.345 2.360 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000588746047 652555876 /nfs/dbraw/zinc/55/58/76/652555876.db2.gz VOQASFDHVIPPBR-LBPRGKRZSA-N 1 1 388.295 2.076 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000758828239 652556413 /nfs/dbraw/zinc/55/64/13/652556413.db2.gz KUUYKSGPSFLHJU-CJNGLKHVSA-N 1 1 390.311 2.437 20 0 GEADMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2s1 ZINC000632579156 652568091 /nfs/dbraw/zinc/56/80/91/652568091.db2.gz MVDLEQPNBFBBON-ZDUSSCGKSA-N 1 1 381.523 2.402 20 0 GEADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(I)c(F)cc2F)C1 ZINC000590045314 652573392 /nfs/dbraw/zinc/57/33/92/652573392.db2.gz PAUUQGGTBSXDKD-SDBXPKJASA-N 1 1 392.187 2.346 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)s1 ZINC000666639131 652582266 /nfs/dbraw/zinc/58/22/66/652582266.db2.gz XPCOTPYYPKSGMT-WDEREUQCSA-N 1 1 390.347 2.416 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Br)c2nccn2c1 ZINC000633108909 652586268 /nfs/dbraw/zinc/58/62/68/652586268.db2.gz CVSPXYLIIBOBQC-UHFFFAOYSA-N 1 1 396.333 2.052 20 0 GEADMO CN(CCCN(C)C(=O)c1cc(Br)c2nccn2c1)CC[NH+](C)C ZINC000633108909 652586270 /nfs/dbraw/zinc/58/62/70/652586270.db2.gz CVSPXYLIIBOBQC-UHFFFAOYSA-N 1 1 396.333 2.052 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000592128044 652588563 /nfs/dbraw/zinc/58/85/63/652588563.db2.gz IEBLXEHJRKXUFT-WDBKCZKBSA-N 1 1 390.249 2.069 20 0 GEADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197875 652590498 /nfs/dbraw/zinc/59/04/98/652590498.db2.gz PWBIEWZTMREDBG-JQWIXIFHSA-N 1 1 375.252 2.178 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000592195401 652590620 /nfs/dbraw/zinc/59/06/20/652590620.db2.gz KAPUASLVRPBGCF-MNOVXSKESA-N 1 1 375.252 2.178 20 0 GEADMO O=C(c1cccc2c(Br)cccc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000633590567 652603147 /nfs/dbraw/zinc/60/31/47/652603147.db2.gz WFVLKIVGZIDXKB-QWHCGFSZSA-N 1 1 375.266 2.493 20 0 GEADMO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000633590292 652603214 /nfs/dbraw/zinc/60/32/14/652603214.db2.gz SMHWPLFCRRWSSX-DFGXFYAUSA-N 1 1 379.298 2.004 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517385 652609965 /nfs/dbraw/zinc/60/99/65/652609965.db2.gz DGDMDSQYXYKIBU-OAHLLOKOSA-N 1 1 397.252 2.195 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000667662587 652616623 /nfs/dbraw/zinc/61/66/23/652616623.db2.gz OKFPVLVRQDMABM-CABCVRRESA-N 1 1 379.258 2.243 20 0 GEADMO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000760595428 652617038 /nfs/dbraw/zinc/61/70/38/652617038.db2.gz DMCJHGSHROQKLV-UHFFFAOYSA-N 1 1 393.278 2.137 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CC[N@@H+]1CCO ZINC000667678770 652617181 /nfs/dbraw/zinc/61/71/81/652617181.db2.gz HQCIVWWKCVJWNK-LLVKDONJSA-N 1 1 381.889 2.389 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CC[N@H+]1CCO ZINC000667678770 652617184 /nfs/dbraw/zinc/61/71/84/652617184.db2.gz HQCIVWWKCVJWNK-LLVKDONJSA-N 1 1 381.889 2.389 20 0 GEADMO C[NH+](C)[C@@H](C(=O)NC[C@@H](n1cncn1)C(F)(F)F)c1cccc(Cl)c1 ZINC000633982921 652624615 /nfs/dbraw/zinc/62/46/15/652624615.db2.gz ADOWUMQIGGSKTI-CHWSQXEVSA-N 1 1 375.782 2.454 20 0 GEADMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc4cc(Br)ccc4o3)C2)N1 ZINC000668085133 652628309 /nfs/dbraw/zinc/62/83/09/652628309.db2.gz FGTNUJHJUHFRQI-MRXNPFEDSA-N 1 1 378.226 2.369 20 0 GEADMO CC[N@H+](CCCNS(=O)(=O)c1scnc1C(=O)OC)C1CCCCC1 ZINC000593627390 652630025 /nfs/dbraw/zinc/63/00/25/652630025.db2.gz RIPZNHPNEABNKW-UHFFFAOYSA-N 1 1 389.543 2.253 20 0 GEADMO CC[N@@H+](CCCNS(=O)(=O)c1scnc1C(=O)OC)C1CCCCC1 ZINC000593627390 652630026 /nfs/dbraw/zinc/63/00/26/652630026.db2.gz RIPZNHPNEABNKW-UHFFFAOYSA-N 1 1 389.543 2.253 20 0 GEADMO Cc1cc(I)ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761074691 652631411 /nfs/dbraw/zinc/63/14/11/652631411.db2.gz YEABTIIPBWNGDR-LBPRGKRZSA-N 1 1 387.265 2.174 20 0 GEADMO C[N@H+]1CCCC12CCN(C(=O)c1cccnc1I)CC2 ZINC000761158317 652634620 /nfs/dbraw/zinc/63/46/20/652634620.db2.gz GEVGDHLIGPZLGC-UHFFFAOYSA-N 1 1 385.249 2.387 20 0 GEADMO COC(=O)[C@@]1(NC(=O)C2SCCS2)CCC[N@H+](Cc2ccccc2)C1 ZINC000761179075 652635818 /nfs/dbraw/zinc/63/58/18/652635818.db2.gz KMGSBLQFPHZSQA-GOSISDBHSA-N 1 1 380.535 2.117 20 0 GEADMO COC(=O)[C@@]1(NC(=O)C2SCCS2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000761179075 652635820 /nfs/dbraw/zinc/63/58/20/652635820.db2.gz KMGSBLQFPHZSQA-GOSISDBHSA-N 1 1 380.535 2.117 20 0 GEADMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3nn(C)cc3Br)C2)c1 ZINC000634277406 652635914 /nfs/dbraw/zinc/63/59/14/652635914.db2.gz MQZWZJRUTGMTHB-CQSZACIVSA-N 1 1 377.286 2.495 20 0 GEADMO Cc1c2cc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)[nH]c2ccc1Br ZINC000668360096 652639975 /nfs/dbraw/zinc/63/99/75/652639975.db2.gz PZRSSQIQVHGVGG-LLVKDONJSA-N 1 1 380.286 2.377 20 0 GEADMO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000668365393 652640430 /nfs/dbraw/zinc/64/04/30/652640430.db2.gz IRLDJOIPZWFJIO-DOMZBBRYSA-N 1 1 382.302 2.179 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cncc(I)c1 ZINC000594195219 652642810 /nfs/dbraw/zinc/64/28/10/652642810.db2.gz DOKZRSSJDBMRNM-KGLIPLIRSA-N 1 1 385.249 2.433 20 0 GEADMO O[C@H](COC1CCOCC1)C[NH+]1CC(Cc2ccccc2Br)C1 ZINC000634651603 652647151 /nfs/dbraw/zinc/64/71/51/652647151.db2.gz UIXITQXGIDCAFP-INIZCTEOSA-N 1 1 384.314 2.480 20 0 GEADMO O=C1CC[C@H]2C[N@H+](Cc3cn(-c4ccccc4Br)nn3)CC[C@H]2N1 ZINC000668545369 652647280 /nfs/dbraw/zinc/64/72/80/652647280.db2.gz OXQTYPOWGVKGED-SWLSCSKDSA-N 1 1 390.285 2.130 20 0 GEADMO O=C1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4Br)nn3)CC[C@H]2N1 ZINC000668545369 652647284 /nfs/dbraw/zinc/64/72/84/652647284.db2.gz OXQTYPOWGVKGED-SWLSCSKDSA-N 1 1 390.285 2.130 20 0 GEADMO COc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1O ZINC000668560795 652647698 /nfs/dbraw/zinc/64/76/98/652647698.db2.gz HTGMNZSFAYZGER-MWLCHTKSSA-N 1 1 378.288 2.219 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000668574732 652649053 /nfs/dbraw/zinc/64/90/53/652649053.db2.gz ZEQRHRXUOHIACW-LLVKDONJSA-N 1 1 388.331 2.116 20 0 GEADMO CN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668597323 652651655 /nfs/dbraw/zinc/65/16/55/652651655.db2.gz BAQUUZQFGGHEBX-LLVKDONJSA-N 1 1 379.258 2.340 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1F ZINC000594452812 652653553 /nfs/dbraw/zinc/65/35/53/652653553.db2.gz DDQXIPNUCMXXFB-ZWNOBZJWSA-N 1 1 392.880 2.226 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1F ZINC000594458306 652654429 /nfs/dbraw/zinc/65/44/29/652654429.db2.gz VVWLLPHMYQNMOI-ZANVPECISA-N 1 1 390.864 2.027 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1F ZINC000594458306 652654436 /nfs/dbraw/zinc/65/44/36/652654436.db2.gz VVWLLPHMYQNMOI-ZANVPECISA-N 1 1 390.864 2.027 20 0 GEADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C[C@H]21 ZINC000668634021 652655104 /nfs/dbraw/zinc/65/51/04/652655104.db2.gz ZPIVUXPVOGCFPA-ZNMIVQPWSA-N 1 1 375.437 2.149 20 0 GEADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C[C@H]21 ZINC000668634021 652655109 /nfs/dbraw/zinc/65/51/09/652655109.db2.gz ZPIVUXPVOGCFPA-ZNMIVQPWSA-N 1 1 375.437 2.149 20 0 GEADMO COCC[NH+]1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000668667554 652658380 /nfs/dbraw/zinc/65/83/80/652658380.db2.gz BWDLYSZVPSEDJG-UHFFFAOYSA-N 1 1 385.302 2.181 20 0 GEADMO CC(C)Oc1cc(NC[C@H](O)CN2CC[NH+](C)CC2)ccc1Br ZINC000634726941 652660113 /nfs/dbraw/zinc/66/01/13/652660113.db2.gz GSNHAHIWSDPTRB-HNNXBMFYSA-N 1 1 386.334 2.257 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668704430 652661655 /nfs/dbraw/zinc/66/16/55/652661655.db2.gz AVNSHAVXKFLTFN-GZBFAFLISA-N 1 1 397.313 2.431 20 0 GEADMO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781819 652662591 /nfs/dbraw/zinc/66/25/91/652662591.db2.gz PLTNQWIVOLKQRO-LOWVWBTDSA-N 1 1 376.678 2.420 20 0 GEADMO Cn1cc[nH+]c1N1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000668793926 652667669 /nfs/dbraw/zinc/66/76/69/652667669.db2.gz UZTFFFRANCJIJD-UHFFFAOYSA-N 1 1 375.274 2.153 20 0 GEADMO Cc1c(Br)cncc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000668803451 652668737 /nfs/dbraw/zinc/66/87/37/652668737.db2.gz ONRCRGLMSHTQMQ-AWEZNQCLSA-N 1 1 381.318 2.005 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]2c2ccc(Br)cc2)CC[N@H+]1C ZINC000668893047 652674018 /nfs/dbraw/zinc/67/40/18/652674018.db2.gz LYRUDDOUJYADAJ-DAXOMENPSA-N 1 1 394.313 2.321 20 0 GEADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669012591 652681136 /nfs/dbraw/zinc/68/11/36/652681136.db2.gz GQJQYZFFOHFNEF-CYBMUJFWSA-N 1 1 381.274 2.443 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669012591 652681145 /nfs/dbraw/zinc/68/11/45/652681145.db2.gz GQJQYZFFOHFNEF-CYBMUJFWSA-N 1 1 381.274 2.443 20 0 GEADMO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Br)cn1 ZINC000669248675 652686769 /nfs/dbraw/zinc/68/67/69/652686769.db2.gz OCFQOFYXBAUSGU-AAEUAGOBSA-N 1 1 397.317 2.010 20 0 GEADMO Cc1ccc(CCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000669437576 652699178 /nfs/dbraw/zinc/69/91/78/652699178.db2.gz IJAPWJMILNGZRL-MRXNPFEDSA-N 1 1 386.945 2.158 20 0 GEADMO Cc1nc(NC(=O)C[N@H+](C)CCc2ccccc2)sc1SCC(N)=O ZINC000635226500 652701801 /nfs/dbraw/zinc/70/18/01/652701801.db2.gz UHAPPWGYDRZVRV-UHFFFAOYSA-N 1 1 378.523 2.142 20 0 GEADMO Cc1nc(NC(=O)C[N@@H+](C)CCc2ccccc2)sc1SCC(N)=O ZINC000635226500 652701807 /nfs/dbraw/zinc/70/18/07/652701807.db2.gz UHAPPWGYDRZVRV-UHFFFAOYSA-N 1 1 378.523 2.142 20 0 GEADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000762668199 652710897 /nfs/dbraw/zinc/71/08/97/652710897.db2.gz XDSFMXXIPGTKEM-JTQLQIEISA-N 1 1 375.803 2.480 20 0 GEADMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000595357478 652714540 /nfs/dbraw/zinc/71/45/40/652714540.db2.gz ZTBMUQMWPQATMW-LBPRGKRZSA-N 1 1 394.278 2.054 20 0 GEADMO COC(=O)CCN1CC[C@@H]([N@@H+](C)CCc2cccc(Br)c2)C1=O ZINC000595495528 652730799 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Cc1ncc(CNC(=O)CC[NH+]2CCN([C@H](C)c3nccs3)CC2)s1 ZINC000639588665 652942584 /nfs/dbraw/zinc/94/25/84/652942584.db2.gz SVCWULGFEKWDJC-CYBMUJFWSA-N 1 1 379.555 2.293 20 0 GEADMO Cc1ncc(CNC(=O)CC[NH2+][C@@H](C)c2ncc(Br)cn2)s1 ZINC000639654549 652946386 /nfs/dbraw/zinc/94/63/86/652946386.db2.gz JOSSPYHIYPQXJJ-VIFPVBQESA-N 1 1 384.303 2.361 20 0 GEADMO CN(C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761152 652951789 /nfs/dbraw/zinc/95/17/89/652951789.db2.gz KMAWMEZKOQDAHO-KRWDZBQOSA-N 1 1 384.318 2.166 20 0 GEADMO CN(C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000639761152 652951792 /nfs/dbraw/zinc/95/17/92/652951792.db2.gz KMAWMEZKOQDAHO-KRWDZBQOSA-N 1 1 384.318 2.166 20 0 GEADMO COc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000767827052 652953343 /nfs/dbraw/zinc/95/33/43/652953343.db2.gz XYQCGBOBWHEUMC-DOMZBBRYSA-N 1 1 385.917 2.381 20 0 GEADMO Brc1cncc(O[C@@H]2CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)c1 ZINC000639773031 652954230 /nfs/dbraw/zinc/95/42/30/652954230.db2.gz MHGILMLJRJDHJM-OWCLPIDISA-N 1 1 382.302 2.160 20 0 GEADMO Nc1nnc([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(Br)c3)C2)o1 ZINC000639819403 652956936 /nfs/dbraw/zinc/95/69/36/652956936.db2.gz BSRTUCTVNUTATP-NSHDSACASA-N 1 1 394.273 2.623 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000676206265 652957330 /nfs/dbraw/zinc/95/73/30/652957330.db2.gz SQPDRGJPNCWSAX-BPLDGKMQSA-N 1 1 385.555 2.050 20 0 GEADMO Nc1nnc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3Br)C2)o1 ZINC000639821458 652957578 /nfs/dbraw/zinc/95/75/78/652957578.db2.gz MPKHHFJLTPGSSC-LLVKDONJSA-N 1 1 394.273 2.623 20 0 GEADMO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639828755 653086148 /nfs/dbraw/zinc/08/61/48/653086148.db2.gz ZAIBSCCHCYVBNK-GFCCVEGCSA-N 1 1 399.504 2.457 20 0 GEADMO CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639828755 653086151 /nfs/dbraw/zinc/08/61/51/653086151.db2.gz ZAIBSCCHCYVBNK-GFCCVEGCSA-N 1 1 399.504 2.457 20 0 GEADMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000639852541 653086513 /nfs/dbraw/zinc/08/65/13/653086513.db2.gz UMFHYXHOWGOEMQ-MZMPZRCHSA-N 1 1 387.307 2.475 20 0 GEADMO COC(=O)C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1ccc(SC)cc1 ZINC000601335757 653086913 /nfs/dbraw/zinc/08/69/13/653086913.db2.gz RLNYVFLOCRCSLR-HNNXBMFYSA-N 1 1 386.539 2.026 20 0 GEADMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000639856403 653086953 /nfs/dbraw/zinc/08/69/53/653086953.db2.gz YTEWDTCDLJLFBP-WBVHZDCISA-N 1 1 378.270 2.224 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639954904 653089782 /nfs/dbraw/zinc/08/97/82/653089782.db2.gz VYOHIVLEXITBPS-TVNTUTRRSA-N 1 1 384.263 2.305 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639954904 653089784 /nfs/dbraw/zinc/08/97/84/653089784.db2.gz VYOHIVLEXITBPS-TVNTUTRRSA-N 1 1 384.263 2.305 20 0 GEADMO CO[C@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000639997817 653093002 /nfs/dbraw/zinc/09/30/02/653093002.db2.gz OKOTWGKHZLJGEX-CZUORRHYSA-N 1 1 382.258 2.471 20 0 GEADMO CO[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000639997817 653093006 /nfs/dbraw/zinc/09/30/06/653093006.db2.gz OKOTWGKHZLJGEX-CZUORRHYSA-N 1 1 382.258 2.471 20 0 GEADMO Brc1cc(CNc2nc(N3CCOCC3)cc[nH+]2)cc2c1OCO2 ZINC000676308019 653094193 /nfs/dbraw/zinc/09/41/93/653094193.db2.gz KUQGNKVYLGLUBR-UHFFFAOYSA-N 1 1 393.241 2.417 20 0 GEADMO C[C@@H](NC(=O)N1CCc2sc(Br)cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676421060 653095365 /nfs/dbraw/zinc/09/53/65/653095365.db2.gz CWAGTSRQTLHLFQ-ZYHUDNBSSA-N 1 1 388.331 2.297 20 0 GEADMO C[C@@H](NC(=O)N1CCc2sc(Br)cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676421060 653095370 /nfs/dbraw/zinc/09/53/70/653095370.db2.gz CWAGTSRQTLHLFQ-ZYHUDNBSSA-N 1 1 388.331 2.297 20 0 GEADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000771395028 653109116 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O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000677311568 653120674 /nfs/dbraw/zinc/12/06/74/653120674.db2.gz NWXUWFXLXUEFBK-HNNXBMFYSA-N 1 1 390.908 2.496 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000640360177 653122379 /nfs/dbraw/zinc/12/23/79/653122379.db2.gz IXRUACWNMFZJJI-UHFFFAOYSA-N 1 1 378.523 2.074 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640385083 653124155 /nfs/dbraw/zinc/12/41/55/653124155.db2.gz LJOQKLCHZDCMHH-MRVPVSSYSA-N 1 1 387.378 2.996 20 0 GEADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000678048099 653124994 /nfs/dbraw/zinc/12/49/94/653124994.db2.gz SHUPWVXEOXYVQO-DOMZBBRYSA-N 1 1 376.316 2.239 20 0 GEADMO C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)[C@H]1C[N@H+](C)CCO1 ZINC000771763538 653125157 /nfs/dbraw/zinc/12/51/57/653125157.db2.gz ILPZTLWMGWMTAC-XJKSGUPXSA-N 1 1 379.551 2.472 20 0 GEADMO C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)[C@H]1C[N@@H+](C)CCO1 ZINC000771763538 653125160 /nfs/dbraw/zinc/12/51/60/653125160.db2.gz ILPZTLWMGWMTAC-XJKSGUPXSA-N 1 1 379.551 2.472 20 0 GEADMO COc1ncc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1Br ZINC000640513242 653128357 /nfs/dbraw/zinc/12/83/57/653128357.db2.gz VNHSWSOBKWNSDR-UONOGXRCSA-N 1 1 398.301 2.082 20 0 GEADMO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c(Br)s1 ZINC000640514897 653128825 /nfs/dbraw/zinc/12/88/25/653128825.db2.gz LFPBMTVIAQWLBQ-WDEREUQCSA-N 1 1 388.331 2.443 20 0 GEADMO Cc1[nH+]ccn1CCOC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000771876082 653130475 /nfs/dbraw/zinc/13/04/75/653130475.db2.gz YLTHCFSCPZAFLU-UHFFFAOYSA-N 1 1 380.242 2.317 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000768847243 653131582 /nfs/dbraw/zinc/13/15/82/653131582.db2.gz QLNBWLJQKIVHEK-VXGBXAGGSA-N 1 1 379.917 2.438 20 0 GEADMO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000602029455 653139664 /nfs/dbraw/zinc/13/96/64/653139664.db2.gz FJFMGOLUJDFKHR-UHFFFAOYSA-N 1 1 390.267 2.175 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000679297947 653142992 /nfs/dbraw/zinc/14/29/92/653142992.db2.gz NUOTUTBYSYCAQQ-NHYWBVRUSA-N 1 1 385.295 2.492 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000679293839 653143022 /nfs/dbraw/zinc/14/30/22/653143022.db2.gz UUICYPQLIRKQLD-HIFRSBDPSA-N 1 1 378.416 2.441 20 0 GEADMO CC[C@H](CNS(=O)(=O)c1cnc(Cl)n1C)[N@@H+]1CCc2ccccc2C1 ZINC000769395449 653151456 /nfs/dbraw/zinc/15/14/56/653151456.db2.gz HTFSWENWTBDZNF-OAHLLOKOSA-N 1 1 382.917 2.189 20 0 GEADMO CC[C@H](CNS(=O)(=O)c1cnc(Cl)n1C)[N@H+]1CCc2ccccc2C1 ZINC000769395449 653151463 /nfs/dbraw/zinc/15/14/63/653151463.db2.gz HTFSWENWTBDZNF-OAHLLOKOSA-N 1 1 382.917 2.189 20 0 GEADMO Clc1ccc(-n2cc(CN3CC[NH+]([C@@H]4CCOC4)CC3)nn2)cc1Cl ZINC000679854663 653156217 /nfs/dbraw/zinc/15/62/17/653156217.db2.gz CQAGLJQSLRMBCE-OAHLLOKOSA-N 1 1 382.295 2.481 20 0 GEADMO [NH3+][C@H](c1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1)[C@@H]1CCCO1 ZINC000641161517 653163949 /nfs/dbraw/zinc/16/39/49/653163949.db2.gz DOWXXJLWAUXCHY-DZGCQCFKSA-N 1 1 377.246 2.144 20 0 GEADMO Cc1[nH+]ccn1Cc1cn(C[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000641192887 653167605 /nfs/dbraw/zinc/16/76/05/653167605.db2.gz CUMCNADDMCGALC-HNNXBMFYSA-N 1 1 392.257 2.034 20 0 GEADMO C[N@H+]1CC[C@](O)(CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000680828615 653170064 /nfs/dbraw/zinc/17/00/64/653170064.db2.gz VZFDPABEBJALBJ-HNNXBMFYSA-N 1 1 391.693 2.054 20 0 GEADMO C[N@@H+](C[C@H](O)Cn1cc(COc2cccc(Br)c2)nn1)C1CC1 ZINC000641222006 653170884 /nfs/dbraw/zinc/17/08/84/653170884.db2.gz AHYSVQSIKPZCLL-HNNXBMFYSA-N 1 1 381.274 2.075 20 0 GEADMO C[N@@H+](CCNC(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000769735482 653174109 /nfs/dbraw/zinc/17/41/09/653174109.db2.gz UYZVDJKFONYQLH-UHFFFAOYSA-N 1 1 380.290 2.486 20 0 GEADMO COCC(=O)NC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000680930627 653174332 /nfs/dbraw/zinc/17/43/32/653174332.db2.gz DBUNXOINNLVVKT-UHFFFAOYSA-N 1 1 383.286 2.111 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000772985452 653175485 /nfs/dbraw/zinc/17/54/85/653175485.db2.gz JZQHXNSIBUAYIE-QWRGUYRKSA-N 1 1 399.481 2.165 20 0 GEADMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccnc(Cl)c1 ZINC000772982883 653175804 /nfs/dbraw/zinc/17/58/04/653175804.db2.gz HYYYUDVBMSALSP-CYBMUJFWSA-N 1 1 383.901 2.199 20 0 GEADMO Fc1cc(NNC(=S)NCCC[NH+]2CCOCC2)ccc1Br ZINC000769763743 653176499 /nfs/dbraw/zinc/17/64/99/653176499.db2.gz OZSJZJZTSOWNOT-UHFFFAOYSA-N 1 1 391.310 2.102 20 0 GEADMO Cc1nc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)ccc1Br ZINC000681469412 653182366 /nfs/dbraw/zinc/18/23/66/653182366.db2.gz DEPMSTVZOFHWPM-UHFFFAOYSA-N 1 1 384.322 2.300 20 0 GEADMO Cc1nc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000681470448 653182401 /nfs/dbraw/zinc/18/24/01/653182401.db2.gz UCVQUSBZNDMUKZ-ZDUSSCGKSA-N 1 1 383.290 2.481 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000641330070 653188144 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CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)CCC1(F)F ZINC000877696511 653617117 /nfs/dbraw/zinc/61/71/17/653617117.db2.gz RLQZSUTZGOHYOA-AWEZNQCLSA-N 1 1 376.425 2.078 20 0 GEADMO NC(=O)[C@](O)(C[N@@H+]1CCc2cc(F)cc(Br)c2C1)c1ccccc1 ZINC000860111762 653617482 /nfs/dbraw/zinc/61/74/82/653617482.db2.gz QHIHBXXFGMBJEB-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO NC(=O)[C@](O)(C[N@H+]1CCc2cc(F)cc(Br)c2C1)c1ccccc1 ZINC000860111762 653617488 /nfs/dbraw/zinc/61/74/88/653617488.db2.gz QHIHBXXFGMBJEB-SFHVURJKSA-N 1 1 393.256 2.319 20 0 GEADMO C[C@@]1(Br)C[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000860114832 653618339 /nfs/dbraw/zinc/61/83/39/653618339.db2.gz TYEKSMQRENNNNO-CRAIPNDOSA-N 1 1 395.297 2.048 20 0 GEADMO O=C(NCCc1cccc(Br)c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000838304000 653618773 /nfs/dbraw/zinc/61/87/73/653618773.db2.gz YRUMTMOGQDVMDA-JKSUJKDBSA-N 1 1 382.302 2.154 20 0 GEADMO Cn1nnnc1C1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000877781578 653619898 /nfs/dbraw/zinc/61/98/98/653619898.db2.gz NEQBHHBFSOCAOK-UHFFFAOYSA-N 1 1 394.273 2.123 20 0 GEADMO CC(C)(C)OC(=O)C1(C(=O)OCC[NH+]2CCSCC2)CCSCC1 ZINC000860389107 653625867 /nfs/dbraw/zinc/62/58/67/653625867.db2.gz IAFPHRWEWBLYTO-UHFFFAOYSA-N 1 1 375.556 2.434 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000860445496 653626939 /nfs/dbraw/zinc/62/69/39/653626939.db2.gz URDPLWNTVCSXSU-UHFFFAOYSA-N 1 1 383.286 2.180 20 0 GEADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1=O ZINC000838799255 653630311 /nfs/dbraw/zinc/63/03/11/653630311.db2.gz XHGFGXOSMKAUAG-WFASDCNBSA-N 1 1 380.286 2.396 20 0 GEADMO O=C(CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)N1CCCC1 ZINC000838815775 653631050 /nfs/dbraw/zinc/63/10/50/653631050.db2.gz VQHRKUXMNFJPLD-UHFFFAOYSA-N 1 1 394.313 2.219 20 0 GEADMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000878190098 653631139 /nfs/dbraw/zinc/63/11/39/653631139.db2.gz FOUYJMHIBPDSAJ-OAHLLOKOSA-N 1 1 381.325 2.383 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cccc(F)c2Br)CC1 ZINC000814505752 653634570 /nfs/dbraw/zinc/63/45/70/653634570.db2.gz APJICQXOPBVLQL-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO O=C1Nc2ccccc2[C@]12CC[N@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000878463024 653638065 /nfs/dbraw/zinc/63/80/65/653638065.db2.gz SPVYFTXORSHLRU-BLLLJJGKSA-N 1 1 378.226 2.066 20 0 GEADMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)O ZINC000878498737 653638993 /nfs/dbraw/zinc/63/89/93/653638993.db2.gz MOVOBPIJHOQNQJ-HNNXBMFYSA-N 1 1 388.302 2.336 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522844 653640079 /nfs/dbraw/zinc/64/00/79/653640079.db2.gz UASSMNZZRRREAB-MRRJBJDNSA-N 1 1 378.296 2.373 20 0 GEADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878522842 653640186 /nfs/dbraw/zinc/64/01/86/653640186.db2.gz UASSMNZZRRREAB-IFIJOSMWSA-N 1 1 378.296 2.373 20 0 GEADMO C[C@@H](CNC(=O)c1cnn(C)c1I)[N@H+]1CCCC[C@H]1C ZINC000815016577 653643887 /nfs/dbraw/zinc/64/38/87/653643887.db2.gz ZHSJWYPKBCWELI-MNOVXSKESA-N 1 1 390.269 2.017 20 0 GEADMO COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1Br ZINC000781731785 653648209 /nfs/dbraw/zinc/64/82/09/653648209.db2.gz PNFOHNZHTLRAJU-OCCSQVGLSA-N 1 1 398.301 2.226 20 0 GEADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)Nc1cnsn1 ZINC000839459138 653650156 /nfs/dbraw/zinc/65/01/56/653650156.db2.gz KSBPQZVONSFYOU-CYBMUJFWSA-N 1 1 379.873 2.083 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[N@H+](C)C1 ZINC000781917776 653651912 /nfs/dbraw/zinc/65/19/12/653651912.db2.gz HWOKWUDHVOVIGC-CQSZACIVSA-N 1 1 385.302 2.493 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[N@@H+](C)C1 ZINC000781917776 653651914 /nfs/dbraw/zinc/65/19/14/653651914.db2.gz HWOKWUDHVOVIGC-CQSZACIVSA-N 1 1 385.302 2.493 20 0 GEADMO CC1(C)C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147964 653653298 /nfs/dbraw/zinc/65/32/98/653653298.db2.gz IFSLUGFPUMDNMS-OAHLLOKOSA-N 1 1 380.432 2.308 20 0 GEADMO CC1(C)C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815147964 653653300 /nfs/dbraw/zinc/65/33/00/653653300.db2.gz IFSLUGFPUMDNMS-OAHLLOKOSA-N 1 1 380.432 2.308 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(C)c1Cl ZINC000815140386 653653443 /nfs/dbraw/zinc/65/34/43/653653443.db2.gz USVFXPDPLQJPGG-UHFFFAOYSA-N 1 1 377.297 2.103 20 0 GEADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839537933 653654108 /nfs/dbraw/zinc/65/41/08/653654108.db2.gz YBFFIFRGSFHABW-UWVGGRQHSA-N 1 1 376.404 2.183 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839537933 653654112 /nfs/dbraw/zinc/65/41/12/653654112.db2.gz YBFFIFRGSFHABW-UWVGGRQHSA-N 1 1 376.404 2.183 20 0 GEADMO FC(F)(F)Oc1ccc(CNC(=S)NCC[N@H+]2CCCOCC2)cc1 ZINC000782211340 653657094 /nfs/dbraw/zinc/65/70/94/653657094.db2.gz YELLYALPXVOHNQ-UHFFFAOYSA-N 1 1 377.432 2.272 20 0 GEADMO O=C(N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)C(F)(F)c1ccc(Br)cc1 ZINC000861719350 653665452 /nfs/dbraw/zinc/66/54/52/653665452.db2.gz HAZPFIURTTUJHV-KGLIPLIRSA-N 1 1 389.240 2.208 20 0 GEADMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879361963 653666849 /nfs/dbraw/zinc/66/68/49/653666849.db2.gz NUMMKSUKFKYILB-XJKSGUPXSA-N 1 1 375.296 2.017 20 0 GEADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1=COCCO1 ZINC000839943232 653670498 /nfs/dbraw/zinc/67/04/98/653670498.db2.gz QNWMPCMZVAACHX-UHFFFAOYSA-N 1 1 381.270 2.418 20 0 GEADMO COC(=O)N[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000839943363 653670505 /nfs/dbraw/zinc/67/05/05/653670505.db2.gz RXCXBRRXVGNAPU-LBPRGKRZSA-N 1 1 398.301 2.274 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c(Br)cnn1C ZINC000879495161 653670842 /nfs/dbraw/zinc/67/08/42/653670842.db2.gz CBGWOQLTCBRVLI-BBRMVZONSA-N 1 1 391.313 2.362 20 0 GEADMO CSc1ccc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CCOCC2)s1 ZINC000861949376 653671827 /nfs/dbraw/zinc/67/18/27/653671827.db2.gz OEHKTIDCBWYDCB-DUXPYHPUSA-N 1 1 382.551 2.481 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000879575019 653673299 /nfs/dbraw/zinc/67/32/99/653673299.db2.gz ICVBPYFOJWIBRL-DOMZBBRYSA-N 1 1 399.276 2.256 20 0 GEADMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000879575022 653673349 /nfs/dbraw/zinc/67/33/49/653673349.db2.gz ICVBPYFOJWIBRL-WFASDCNBSA-N 1 1 399.276 2.256 20 0 GEADMO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000879568272 653673370 /nfs/dbraw/zinc/67/33/70/653673370.db2.gz PIXLURPQLZWYRP-JTQLQIEISA-N 1 1 393.228 2.189 20 0 GEADMO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC[N@H+]1CCO ZINC000879568272 653673376 /nfs/dbraw/zinc/67/33/76/653673376.db2.gz PIXLURPQLZWYRP-JTQLQIEISA-N 1 1 393.228 2.189 20 0 GEADMO C[C@@H](C[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1)CS(C)(=O)=O ZINC000879614900 653674194 /nfs/dbraw/zinc/67/41/94/653674194.db2.gz GFOORCXNOWHIIP-AWEZNQCLSA-N 1 1 388.599 2.491 20 0 GEADMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cn1nc(N2CCOCC2)sc1=S ZINC000840115726 653675008 /nfs/dbraw/zinc/67/50/08/653675008.db2.gz NIXXAQBMNIYCES-QLFBSQMISA-N 1 1 384.571 2.484 20 0 GEADMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cn1nc(N2CCOCC2)sc1=S ZINC000840115726 653675009 /nfs/dbraw/zinc/67/50/09/653675009.db2.gz NIXXAQBMNIYCES-QLFBSQMISA-N 1 1 384.571 2.484 20 0 GEADMO C[C@@H]1CN(Cn2ncn(-c3cccc(Cl)c3)c2=S)C[C@H](C)[N@@H+]1CCO ZINC000840136212 653676012 /nfs/dbraw/zinc/67/60/12/653676012.db2.gz ZBVZMDQMCIDSEJ-OKILXGFUSA-N 1 1 381.933 2.401 20 0 GEADMO COC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C)c1cccc(Br)c1 ZINC000879662357 653677912 /nfs/dbraw/zinc/67/79/12/653677912.db2.gz XSRMGSRQYBMZFI-AWEZNQCLSA-N 1 1 381.274 2.407 20 0 GEADMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000840174317 653678393 /nfs/dbraw/zinc/67/83/93/653678393.db2.gz LAYRNNPTCOGAKD-LBPRGKRZSA-N 1 1 378.270 2.132 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2ccccc2Br)CC1 ZINC000783501478 653679792 /nfs/dbraw/zinc/67/97/92/653679792.db2.gz QPIFDLMTIFWDCT-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000862218663 653679916 /nfs/dbraw/zinc/67/99/16/653679916.db2.gz AMEANLNMOFQBDX-GFCCVEGCSA-N 1 1 379.258 2.123 20 0 GEADMO O=C(CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)Nc1c(Cl)cccc1Cl ZINC000879718610 653679990 /nfs/dbraw/zinc/67/99/90/653679990.db2.gz GYLJYGOOKZKMFJ-BBRMVZONSA-N 1 1 386.279 2.301 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)Nc1c(Cl)cccc1Cl ZINC000879718610 653679992 /nfs/dbraw/zinc/67/99/92/653679992.db2.gz GYLJYGOOKZKMFJ-BBRMVZONSA-N 1 1 386.279 2.301 20 0 GEADMO CN(C[C@H](O)c1cccc(Br)c1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000840364087 653683935 /nfs/dbraw/zinc/68/39/35/653683935.db2.gz KHNFAWBWDIAKGS-HNNXBMFYSA-N 1 1 393.285 2.246 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(Br)ccc2OC)CC1 ZINC000783839837 653685632 /nfs/dbraw/zinc/68/56/32/653685632.db2.gz WALDUAJCCYCUQP-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Br)c(C)c2N)CC1 ZINC000783905080 653686258 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O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322585 654247769 /nfs/dbraw/zinc/24/77/69/654247769.db2.gz VJGRNZIOOOFPOA-NWDGAFQWSA-N 1 1 386.930 2.074 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322585 654247774 /nfs/dbraw/zinc/24/77/74/654247774.db2.gz VJGRNZIOOOFPOA-NWDGAFQWSA-N 1 1 386.930 2.074 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000903576433 654259649 /nfs/dbraw/zinc/25/96/49/654259649.db2.gz RWJJYDMZZIVUIK-OAHLLOKOSA-N 1 1 381.523 2.118 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000903576743 654259678 /nfs/dbraw/zinc/25/96/78/654259678.db2.gz WTQLMKRNUPPJRQ-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO COC(=O)NC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000852771012 654259829 /nfs/dbraw/zinc/25/98/29/654259829.db2.gz IOXSWOMRJJKTLI-GFCCVEGCSA-N 1 1 398.301 2.447 20 0 GEADMO COC(=O)NC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000852766177 654259901 /nfs/dbraw/zinc/25/99/01/654259901.db2.gz ZSNGWSPRUSWBRR-AWEZNQCLSA-N 1 1 375.238 2.442 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903576943 654260148 /nfs/dbraw/zinc/26/01/48/654260148.db2.gz ZBHQVKMHHRTCPR-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO CSCc1n[nH]c(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000891089930 654263674 /nfs/dbraw/zinc/26/36/74/654263674.db2.gz FUADGZQVMANSJA-ZDUSSCGKSA-N 1 1 382.921 2.423 20 0 GEADMO CSCc1nnc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH]1 ZINC000891089930 654263675 /nfs/dbraw/zinc/26/36/75/654263675.db2.gz FUADGZQVMANSJA-ZDUSSCGKSA-N 1 1 382.921 2.423 20 0 GEADMO CSCc1n[nH]c(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000891089929 654263708 /nfs/dbraw/zinc/26/37/08/654263708.db2.gz FUADGZQVMANSJA-CYBMUJFWSA-N 1 1 382.921 2.423 20 0 GEADMO CSCc1nnc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH]1 ZINC000891089929 654263713 /nfs/dbraw/zinc/26/37/13/654263713.db2.gz FUADGZQVMANSJA-CYBMUJFWSA-N 1 1 382.921 2.423 20 0 GEADMO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)C(=O)N(C)c1ccc(C)cc1 ZINC000871871444 654271572 /nfs/dbraw/zinc/27/15/72/654271572.db2.gz NSMHERWPTMURLT-HNNXBMFYSA-N 1 1 381.523 2.235 20 0 GEADMO O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CCC1SCCS1 ZINC000853019553 654272665 /nfs/dbraw/zinc/27/26/65/654272665.db2.gz DEUZTVNFNAJEEO-SFHVURJKSA-N 1 1 377.535 2.379 20 0 GEADMO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCn1cc[nH+]c1C(C)C ZINC000921533846 654278662 /nfs/dbraw/zinc/27/86/62/654278662.db2.gz YCYBPFPWCNREAA-UHFFFAOYSA-N 1 1 385.873 2.425 20 0 GEADMO CN1C(=O)N(C[C@H]2C[N@H+](C)CCN2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086163 654278852 /nfs/dbraw/zinc/27/88/52/654278852.db2.gz FXLUFKRHDFXCHC-ABAIWWIYSA-N 1 1 385.295 2.174 20 0 GEADMO CN1C(=O)N(C[C@H]2C[N@@H+](C)CCN2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086163 654278857 /nfs/dbraw/zinc/27/88/57/654278857.db2.gz FXLUFKRHDFXCHC-ABAIWWIYSA-N 1 1 385.295 2.174 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@H+](C)CCO1 ZINC000921559354 654280843 /nfs/dbraw/zinc/28/08/43/654280843.db2.gz YSEXNFGJRBFWTM-DJSGYFEHSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000921559354 654280850 /nfs/dbraw/zinc/28/08/50/654280850.db2.gz YSEXNFGJRBFWTM-DJSGYFEHSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000921559358 654280957 /nfs/dbraw/zinc/28/09/57/654280957.db2.gz YSEXNFGJRBFWTM-XFJVYGCCSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000921559358 654280961 /nfs/dbraw/zinc/28/09/61/654280961.db2.gz YSEXNFGJRBFWTM-XFJVYGCCSA-N 1 1 398.301 2.291 20 0 GEADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000891309050 654281927 /nfs/dbraw/zinc/28/19/27/654281927.db2.gz YESAKACNTRCCGC-NSHDSACASA-N 1 1 391.269 2.146 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000891309050 654281928 /nfs/dbraw/zinc/28/19/28/654281928.db2.gz YESAKACNTRCCGC-NSHDSACASA-N 1 1 391.269 2.146 20 0 GEADMO C[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832679415 654286787 /nfs/dbraw/zinc/28/67/87/654286787.db2.gz FIULCDKHLLXLRJ-DLBZAZTESA-N 1 1 397.313 2.052 20 0 GEADMO C[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832679415 654286795 /nfs/dbraw/zinc/28/67/95/654286795.db2.gz FIULCDKHLLXLRJ-DLBZAZTESA-N 1 1 397.313 2.052 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)C(F)(F)c1ccc(Br)cc1 ZINC000832713312 654289573 /nfs/dbraw/zinc/28/95/73/654289573.db2.gz XWYLYYITNYHRHH-UHFFFAOYSA-N 1 1 377.229 2.379 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)C(F)(F)c1ccc(Br)cc1 ZINC000832713312 654289579 /nfs/dbraw/zinc/28/95/79/654289579.db2.gz XWYLYYITNYHRHH-UHFFFAOYSA-N 1 1 377.229 2.379 20 0 GEADMO Brc1cccc(OCCNCc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903920600 654292023 /nfs/dbraw/zinc/29/20/23/654292023.db2.gz KDMURGHOUYZOFO-AWEZNQCLSA-N 1 1 380.290 2.134 20 0 GEADMO CC(C)(O)C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000871972356 654296696 /nfs/dbraw/zinc/29/66/96/654296696.db2.gz YPFUIWYTBWWERG-GFCCVEGCSA-N 1 1 377.348 2.150 20 0 GEADMO C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([S@](C)=O)cc1 ZINC000921646879 654298731 /nfs/dbraw/zinc/29/87/31/654298731.db2.gz WSLKJFDXXZDEDT-FSOLBKLSSA-N 1 1 381.567 2.364 20 0 GEADMO O=c1ccn(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c2c(Br)cccc12 ZINC000853521517 654300356 /nfs/dbraw/zinc/30/03/56/654300356.db2.gz AYLNFZDKCKFJHK-CYBMUJFWSA-N 1 1 388.269 2.335 20 0 GEADMO COCC[C@H]([NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904103452 654301673 /nfs/dbraw/zinc/30/16/73/654301673.db2.gz XDNSHSSNJVMUEV-NSHDSACASA-N 1 1 384.230 2.230 20 0 GEADMO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545434 654302526 /nfs/dbraw/zinc/30/25/26/654302526.db2.gz FLBCGDAXFTZSES-OLZOCXBDSA-N 1 1 379.448 2.216 20 0 GEADMO Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(Br)n1 ZINC000921678589 654303652 /nfs/dbraw/zinc/30/36/52/654303652.db2.gz MBDWUYNSXZSYEI-CABCVRRESA-N 1 1 392.301 2.427 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904162112 654303916 /nfs/dbraw/zinc/30/39/16/654303916.db2.gz RMDDCHSJGPELMF-UHFFFAOYSA-N 1 1 389.283 2.105 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(Cl)ncc1Br ZINC000833552761 654307140 /nfs/dbraw/zinc/30/71/40/654307140.db2.gz PUHLQLAMPHKLBQ-JTQLQIEISA-N 1 1 376.682 2.074 20 0 GEADMO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000833552854 654307363 /nfs/dbraw/zinc/30/73/63/654307363.db2.gz RKTQHSDLNANZQQ-NSHDSACASA-N 1 1 379.498 2.272 20 0 GEADMO C[N@H+]1C[C@@H]2CN(CN3C(=O)N[C@@](C)(c4ccc(Cl)s4)C3=O)C[C@]2(C)C1 ZINC000904435784 654310829 /nfs/dbraw/zinc/31/08/29/654310829.db2.gz FXNJWIKASHKZGM-NVGVWMPQSA-N 1 1 382.917 2.010 20 0 GEADMO O=C(C1SCCS1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448377 654310859 /nfs/dbraw/zinc/31/08/59/654310859.db2.gz NNMPRIFSQZYKJH-KRWDZBQOSA-N 1 1 377.579 2.211 20 0 GEADMO O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921722819 654311515 /nfs/dbraw/zinc/31/15/15/654311515.db2.gz PSEGVVLXSYKODN-DZGCQCFKSA-N 1 1 380.583 2.443 20 0 GEADMO CCOC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)on1 ZINC000872227453 654318095 /nfs/dbraw/zinc/31/80/95/654318095.db2.gz FHOKVSLOEAGMDP-LBPRGKRZSA-N 1 1 399.241 2.143 20 0 GEADMO C[C@@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1cccc(Br)c1 ZINC000872255638 654319880 /nfs/dbraw/zinc/31/98/80/654319880.db2.gz KQTWGLCGKUDADU-SJWGOKEGSA-N 1 1 394.313 2.420 20 0 GEADMO O=C(c1csc(I)n1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834592566 654336704 /nfs/dbraw/zinc/33/67/04/654336704.db2.gz NDFYXALTEDRENJ-WPRPVWTQSA-N 1 1 395.241 2.006 20 0 GEADMO CCOC(=O)[C@@H](F)C1C[NH+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000834377524 654320697 /nfs/dbraw/zinc/32/06/97/654320697.db2.gz DZVGCLNJEBDGRX-ZFWWWQNUSA-N 1 1 390.249 2.022 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000804778498 654321268 /nfs/dbraw/zinc/32/12/68/654321268.db2.gz YCCLXHJRYMNGCZ-AWEZNQCLSA-N 1 1 387.933 2.195 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000804775753 654321358 /nfs/dbraw/zinc/32/13/58/654321358.db2.gz NGCQBPRHXFMXPU-ZDUSSCGKSA-N 1 1 387.933 2.195 20 0 GEADMO CCN(C1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1)S(C)(=O)=O ZINC000892012839 654324709 /nfs/dbraw/zinc/32/47/09/654324709.db2.gz FKNMRFDIDLDCKX-UHFFFAOYSA-N 1 1 385.477 2.494 20 0 GEADMO O=C(NCc1cc(Br)cs1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892033932 654326074 /nfs/dbraw/zinc/32/60/74/654326074.db2.gz XIQBNMNAZIWOGA-KBPBESRZSA-N 1 1 388.331 2.251 20 0 GEADMO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000892045398 654326550 /nfs/dbraw/zinc/32/65/50/654326550.db2.gz DJAIWJUWUYMOPH-UHFFFAOYSA-N 1 1 384.395 2.320 20 0 GEADMO Cc1nc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(Br)n1C ZINC000804950022 654327998 /nfs/dbraw/zinc/32/79/98/654327998.db2.gz LAXDLHDRCAQOEQ-QWRGUYRKSA-N 1 1 393.351 2.032 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000892120197 654330162 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CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br)C1CC1 ZINC000873718404 654453855 /nfs/dbraw/zinc/45/38/55/654453855.db2.gz OSBSCTZUFQUBIP-UHFFFAOYSA-N 1 1 396.285 2.191 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000873718409 654454278 /nfs/dbraw/zinc/45/42/78/654454278.db2.gz OTGDQGGCXQBRSZ-GFCCVEGCSA-N 1 1 396.285 2.048 20 0 GEADMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906622890 654454267 /nfs/dbraw/zinc/45/42/67/654454267.db2.gz XEIABKQKEQAOTL-ZDUSSCGKSA-N 1 1 392.301 2.410 20 0 GEADMO COc1ccccc1CCNC(=O)C[NH2+]Cc1ncc(Br)cc1O ZINC000894219123 654456821 /nfs/dbraw/zinc/45/68/21/654456821.db2.gz DZVHYCWNNNKKEG-UHFFFAOYSA-N 1 1 394.269 2.007 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000873743461 654457127 /nfs/dbraw/zinc/45/71/27/654457127.db2.gz BFFLHIPXDYIMMO-LLVKDONJSA-N 1 1 396.285 2.048 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000906661673 654457901 /nfs/dbraw/zinc/45/79/01/654457901.db2.gz SLDXYCSZGBTKDZ-ZDUSSCGKSA-N 1 1 398.349 2.125 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000906661673 654457902 /nfs/dbraw/zinc/45/79/02/654457902.db2.gz SLDXYCSZGBTKDZ-ZDUSSCGKSA-N 1 1 398.349 2.125 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000873759977 654459640 /nfs/dbraw/zinc/45/96/40/654459640.db2.gz JEHQIKJGPLSFTR-PWSUYJOCSA-N 1 1 396.285 2.138 20 0 GEADMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1scnc1Br ZINC000856083155 654460662 /nfs/dbraw/zinc/46/06/62/654460662.db2.gz HUKQFMXKWBCLJZ-GHMZBOCLSA-N 1 1 386.315 2.279 20 0 GEADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cnc(Br)cn1 ZINC000923532271 654462683 /nfs/dbraw/zinc/46/26/83/654462683.db2.gz AEGQSZWKALYLPQ-CYBMUJFWSA-N 1 1 379.262 2.118 20 0 GEADMO Cn1cc(C[NH2+]CCCC(=O)OC(C)(C)C)c(I)n1 ZINC000894311963 654464265 /nfs/dbraw/zinc/46/42/65/654464265.db2.gz YZWQOKUQDBEGAR-UHFFFAOYSA-N 1 1 379.242 2.236 20 0 GEADMO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1cccc(F)c1 ZINC000894328339 654465496 /nfs/dbraw/zinc/46/54/96/654465496.db2.gz XZXNFDRBPVCECT-OTYXRUKQSA-N 1 1 389.212 2.376 20 0 GEADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cnc(Br)cn1 ZINC000923546576 654466625 /nfs/dbraw/zinc/46/66/25/654466625.db2.gz ADNWUJKXFGOQEY-CYBMUJFWSA-N 1 1 393.289 2.372 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000873817862 654468813 /nfs/dbraw/zinc/46/88/13/654468813.db2.gz LRPXNCVOMKQRRJ-GFCCVEGCSA-N 1 1 398.301 2.196 20 0 GEADMO C[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1)C[NH+]1CCOCC1 ZINC000906762447 654469272 /nfs/dbraw/zinc/46/92/72/654469272.db2.gz JGIUWSWQISHRQZ-ZDUSSCGKSA-N 1 1 382.917 2.344 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873830641 654470116 /nfs/dbraw/zinc/47/01/16/654470116.db2.gz LILBDKXXYSPHJC-YPMHNXCESA-N 1 1 398.301 2.337 20 0 GEADMO Cn1ncc(I)c1CNC[C@@H](c1cccs1)[NH+](C)C ZINC000894382817 654471649 /nfs/dbraw/zinc/47/16/49/654471649.db2.gz AENJKTNDXNWIJH-LBPRGKRZSA-N 1 1 390.294 2.479 20 0 GEADMO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856254308 654473200 /nfs/dbraw/zinc/47/32/00/654473200.db2.gz UTWMZEWKFIZNNO-GFCCVEGCSA-N 1 1 377.794 2.425 20 0 GEADMO O=C(c1cnc(Cl)c(Br)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856255420 654473662 /nfs/dbraw/zinc/47/36/62/654473662.db2.gz HLILSWLZPPYZTH-GFCCVEGCSA-N 1 1 388.693 2.169 20 0 GEADMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)NC(=O)NC1=O ZINC000894417750 654473973 /nfs/dbraw/zinc/47/39/73/654473973.db2.gz WFVLOFPYVCWOLI-OTYXRUKQSA-N 1 1 376.404 2.201 20 0 GEADMO Cn1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437896 654475863 /nfs/dbraw/zinc/47/58/63/654475863.db2.gz NXEVPWHNWDGAGH-CYBMUJFWSA-N 1 1 382.249 2.484 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437896 654475866 /nfs/dbraw/zinc/47/58/66/654475866.db2.gz NXEVPWHNWDGAGH-CYBMUJFWSA-N 1 1 382.249 2.484 20 0 GEADMO Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437898 654475983 /nfs/dbraw/zinc/47/59/83/654475983.db2.gz NXEVPWHNWDGAGH-ZDUSSCGKSA-N 1 1 382.249 2.484 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(I)n1 ZINC000894437898 654475986 /nfs/dbraw/zinc/47/59/86/654475986.db2.gz NXEVPWHNWDGAGH-ZDUSSCGKSA-N 1 1 382.249 2.484 20 0 GEADMO CCOC(=O)c1ncc(Br)c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000894477004 654479526 /nfs/dbraw/zinc/47/95/26/654479526.db2.gz VYPZUIKGBUSRNX-NSHDSACASA-N 1 1 385.306 2.370 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1I ZINC000894477905 654479608 /nfs/dbraw/zinc/47/96/08/654479608.db2.gz OPIFTBWOPOLKMZ-SECBINFHSA-N 1 1 394.257 2.028 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1c(I)cnn1C ZINC000894478036 654479667 /nfs/dbraw/zinc/47/96/67/654479667.db2.gz SAEAHAQAWJUVAV-SECBINFHSA-N 1 1 394.257 2.028 20 0 GEADMO Cc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1Br ZINC000856410753 654479847 /nfs/dbraw/zinc/47/98/47/654479847.db2.gz OOEUQIVOTWKDRS-GFCCVEGCSA-N 1 1 385.306 2.196 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCn1cc(Br)cn1 ZINC000894517134 654482631 /nfs/dbraw/zinc/48/26/31/654482631.db2.gz FLYPZGKKLCGTDC-HUUCEWRRSA-N 1 1 384.322 2.304 20 0 GEADMO CCOC(=O)[C@@](C)(C[NH2+]Cc1nc(Br)nn1C)c1ccccc1 ZINC000894537482 654484091 /nfs/dbraw/zinc/48/40/91/654484091.db2.gz JLGHABLBIHLGIQ-INIZCTEOSA-N 1 1 381.274 2.188 20 0 GEADMO COc1cccc(OCC[NH+]2CCN(c3cnc(Br)cn3)CC2)c1 ZINC000856736912 654488475 /nfs/dbraw/zinc/48/84/75/654488475.db2.gz VLGKIVMGHYVUEA-UHFFFAOYSA-N 1 1 393.285 2.449 20 0 GEADMO O=C(NCc1ccc(Br)cn1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000923922969 654488576 /nfs/dbraw/zinc/48/85/76/654488576.db2.gz TZLKRIIXAYXYGB-KBPBESRZSA-N 1 1 385.331 2.223 20 0 GEADMO Cc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1Cl ZINC000873972668 654489759 /nfs/dbraw/zinc/48/97/59/654489759.db2.gz VTCZKPAAGHFCNI-NSHDSACASA-N 1 1 388.295 2.202 20 0 GEADMO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1nc(Br)nn1C ZINC000894605174 654490199 /nfs/dbraw/zinc/49/01/99/654490199.db2.gz WJOAHKAXDNQAHF-SNVBAGLBSA-N 1 1 376.299 2.313 20 0 GEADMO Brc1cnn(C2(c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)CC2)c1 ZINC000923959371 654493743 /nfs/dbraw/zinc/49/37/43/654493743.db2.gz IRDBGTWYSCECIZ-VXGBXAGGSA-N 1 1 380.246 2.102 20 0 GEADMO Brc1cnn(C2(c3nc([C@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CC2)c1 ZINC000923959371 654493747 /nfs/dbraw/zinc/49/37/47/654493747.db2.gz IRDBGTWYSCECIZ-VXGBXAGGSA-N 1 1 380.246 2.102 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000856868660 654498285 /nfs/dbraw/zinc/49/82/85/654498285.db2.gz AYAYRBZQEUTQDU-SWLSCSKDSA-N 1 1 382.302 2.145 20 0 GEADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(O)cc(Cl)c1 ZINC000894780598 654498750 /nfs/dbraw/zinc/49/87/50/654498750.db2.gz HJBCJZNTQQOWBM-UHFFFAOYSA-N 1 1 388.848 2.343 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3nscc3I)CC[C@@H]21 ZINC000907037611 654502206 /nfs/dbraw/zinc/50/22/06/654502206.db2.gz OZGBLGOJUYPZEL-KOLCDFICSA-N 1 1 391.278 2.304 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)oc1Cl ZINC000907197308 654519467 /nfs/dbraw/zinc/51/94/67/654519467.db2.gz NFANCHQOPCBTIX-NSHDSACASA-N 1 1 390.889 2.215 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)c3cnn(C)c3C)C2)s1 ZINC000907345774 654534049 /nfs/dbraw/zinc/53/40/49/654534049.db2.gz JJKNDZXSBJIUSY-OAHLLOKOSA-N 1 1 382.555 2.241 20 0 GEADMO CNC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1Cl ZINC000925143424 654534630 /nfs/dbraw/zinc/53/46/30/654534630.db2.gz KDVDSUHVCCLNPB-GJZGRUSLSA-N 1 1 382.917 2.401 20 0 GEADMO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000925143084 654534706 /nfs/dbraw/zinc/53/47/06/654534706.db2.gz PSPAVDGIUOLENO-CVEARBPZSA-N 1 1 383.539 2.182 20 0 GEADMO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925160119 654535551 /nfs/dbraw/zinc/53/55/51/654535551.db2.gz AFPCISOGPAGMKO-OAGGEKHMSA-N 1 1 387.908 2.392 20 0 GEADMO O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925166296 654535748 /nfs/dbraw/zinc/53/57/48/654535748.db2.gz HNKHADLVVFUPBO-SYQHCUMBSA-N 1 1 381.464 2.365 20 0 GEADMO CN1C(=O)N(CC[NH+]2CCSCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000925281679 654539421 /nfs/dbraw/zinc/53/94/21/654539421.db2.gz DHBVFHXIOQHKNF-AWEZNQCLSA-N 1 1 398.326 2.433 20 0 GEADMO COc1ccc(Br)c([C@@H]2C(=O)N(C[C@H]3CCC[N@H+]3C)C(=O)N2C)c1 ZINC000925290186 654539959 /nfs/dbraw/zinc/53/99/59/654539959.db2.gz CMAGNEOWLUNELW-IAQYHMDHSA-N 1 1 396.285 2.487 20 0 GEADMO CN1C(=O)N(CC[N@H+]2CCCOCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000925341018 654541943 /nfs/dbraw/zinc/54/19/43/654541943.db2.gz LWJVZONRGJWOFA-HNNXBMFYSA-N 1 1 396.285 2.107 20 0 GEADMO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC[N@H+]1C ZINC000925344957 654542281 /nfs/dbraw/zinc/54/22/81/654542281.db2.gz OMIDAWNHOHDRII-RAEVTNRLSA-N 1 1 382.302 2.359 20 0 GEADMO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925426977 654544310 /nfs/dbraw/zinc/54/43/10/654544310.db2.gz XJGHSJDHFCWNEV-HNNXBMFYSA-N 1 1 387.311 2.345 20 0 GEADMO C[C@H]([NH3+])[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000925479032 654545253 /nfs/dbraw/zinc/54/52/53/654545253.db2.gz PUCLZTRERIJAKH-WFASDCNBSA-N 1 1 379.448 2.226 20 0 GEADMO C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925608457 654546689 /nfs/dbraw/zinc/54/66/89/654546689.db2.gz YLCLIABZEYITMG-PBHICJAKSA-N 1 1 382.551 2.295 20 0 GEADMO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925690318 654548005 /nfs/dbraw/zinc/54/80/05/654548005.db2.gz UTWZXCKFEOYRQJ-ZLIFDBKOSA-N 1 1 383.330 2.468 20 0 GEADMO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925690318 654548013 /nfs/dbraw/zinc/54/80/13/654548013.db2.gz UTWZXCKFEOYRQJ-ZLIFDBKOSA-N 1 1 383.330 2.468 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1O)C2 ZINC000926167211 654561953 /nfs/dbraw/zinc/56/19/53/654561953.db2.gz SHWJAEFEDARXRX-IIVZCXTMSA-N 1 1 397.313 2.364 20 0 GEADMO Cc1ccc(Br)nc1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926161989 654561998 /nfs/dbraw/zinc/56/19/98/654561998.db2.gz RVPMERIYFIZAEW-MHRLRVJTSA-N 1 1 396.329 2.362 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)nc1)C2 ZINC000926171904 654562540 /nfs/dbraw/zinc/56/25/40/654562540.db2.gz RYVZSNFAKIINOB-LNCBFAARSA-N 1 1 382.302 2.054 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1O)C2 ZINC000926186661 654562765 /nfs/dbraw/zinc/56/27/65/654562765.db2.gz QVYFZLJBYDKKPT-IIVZCXTMSA-N 1 1 397.313 2.364 20 0 GEADMO CSc1ncc(Cl)c(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000926185506 654562846 /nfs/dbraw/zinc/56/28/46/654562846.db2.gz JEXNKYNQUATNDX-CTWCOEIASA-N 1 1 384.933 2.061 20 0 GEADMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3sc(=S)[nH]c3C)C2)[C@H]1C(C)C ZINC000926257971 654565031 /nfs/dbraw/zinc/56/50/31/654565031.db2.gz CEEBFFHUOKJUAP-ZHCAMHROSA-N 1 1 383.583 2.269 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000907689208 654568307 /nfs/dbraw/zinc/56/83/07/654568307.db2.gz PLQDXMIMWWZNBG-UHFFFAOYSA-N 1 1 395.305 2.359 20 0 GEADMO Cn1cc(I)c(C[NH2+]C2CC3(C2)COC(C)(C)C3)n1 ZINC000926541739 654574723 /nfs/dbraw/zinc/57/47/23/654574723.db2.gz PUZCSYMWPNLSFW-UHFFFAOYSA-N 1 1 375.254 2.462 20 0 GEADMO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926764258 654581945 /nfs/dbraw/zinc/58/19/45/654581945.db2.gz HJQCAYGBXXRQMN-VIFPVBQESA-N 1 1 381.782 2.474 20 0 GEADMO O=S1(=O)CC[C@@H]([NH2+]CCO[C@@H]2CCOC2)c2cc(Br)ccc21 ZINC000927078863 654590975 /nfs/dbraw/zinc/59/09/75/654590975.db2.gz BLFFNVOVWFATJU-TZMCWYRMSA-N 1 1 390.299 2.063 20 0 GEADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927110764 654593349 /nfs/dbraw/zinc/59/33/49/654593349.db2.gz WXVWYESOPFKBMG-TZMCWYRMSA-N 1 1 384.322 2.116 20 0 GEADMO CCN(C(=O)NCC1(n2cc(Br)cn2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000927113171 654594132 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Cc1cc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164873525 721275062 /nfs/dbraw/zinc/27/50/62/721275062.db2.gz NWOQTXXRFCUOJU-UHFFFAOYSA-N 1 1 394.947 2.359 20 0 GEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1C ZINC001164770733 721296303 /nfs/dbraw/zinc/29/63/03/721296303.db2.gz USRFOVRXTUXERH-UHFFFAOYSA-N 1 1 389.887 2.330 20 0 GEADMO CCOC(=O)c1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C(=O)OCC ZINC001164775046 721303201 /nfs/dbraw/zinc/30/32/01/721303201.db2.gz MZTPMVQZTLCSFD-UHFFFAOYSA-N 1 1 387.480 2.357 20 0 GEADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164877933 721325024 /nfs/dbraw/zinc/32/50/24/721325024.db2.gz LSPCFNWAVICUOP-UHFFFAOYSA-N 1 1 387.818 2.013 20 0 GEADMO CSc1nc(C)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884391 721380229 /nfs/dbraw/zinc/38/02/29/721380229.db2.gz ANPRBQZWYAXMCW-FXAWDEMLSA-N 1 1 391.585 2.272 20 0 GEADMO COC(=O)c1ccc2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)ncc2c1 ZINC001164782915 721396715 /nfs/dbraw/zinc/39/67/15/721396715.db2.gz HEKUQRILXASMOM-HZPDHXFCSA-N 1 1 395.488 2.441 20 0 GEADMO CSc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164886165 721411051 /nfs/dbraw/zinc/41/10/51/721411051.db2.gz HVOXHQSNJFTVPR-FXAWDEMLSA-N 1 1 391.585 2.272 20 0 GEADMO O=C1NCc2c1cc(Cl)nc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787309 721416191 /nfs/dbraw/zinc/41/61/91/721416191.db2.gz QAYSUTHEMBGHEU-QWRGUYRKSA-N 1 1 375.885 2.003 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4N)C3)O2)CC1 ZINC001164892206 721426733 /nfs/dbraw/zinc/42/67/33/721426733.db2.gz HRLIZFAOXBKQKF-KUHUBIRLSA-N 1 1 397.926 2.222 20 0 GEADMO CC(C)Oc1cncc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896448 721437228 /nfs/dbraw/zinc/43/72/28/721437228.db2.gz RIHLJMJVFXRTDS-RXVVDRJESA-N 1 1 389.544 2.029 20 0 GEADMO CCc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891511 721446587 /nfs/dbraw/zinc/44/65/87/721446587.db2.gz GUZXGOYQVMEWQL-FXAWDEMLSA-N 1 1 393.963 2.458 20 0 GEADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164795515 721501469 /nfs/dbraw/zinc/50/14/69/721501469.db2.gz JSEQQOXWIRSVIW-UHFFFAOYSA-N 1 1 390.495 2.333 20 0 GEADMO CNC(=O)c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164795032 721502362 /nfs/dbraw/zinc/50/23/62/721502362.db2.gz BAGYNUZGTVYSAC-UHFFFAOYSA-N 1 1 380.496 2.112 20 0 GEADMO CCOC(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164896928 721518559 /nfs/dbraw/zinc/51/85/59/721518559.db2.gz CMSBQUYOFRXLAC-WBVHZDCISA-N 1 1 386.427 2.134 20 0 GEADMO Cc1cn(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cn1 ZINC001164906368 721545547 /nfs/dbraw/zinc/54/55/47/721545547.db2.gz KERFHSRNVWGRGH-PKOBYXMFSA-N 1 1 394.454 2.452 20 0 GEADMO CCn1cnc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808909 721578721 /nfs/dbraw/zinc/57/87/21/721578721.db2.gz RODUWAIZOIJSGH-AOIWGVFYSA-N 1 1 393.495 2.109 20 0 GEADMO CCn1cnc2c1ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808909 721578725 /nfs/dbraw/zinc/57/87/25/721578725.db2.gz RODUWAIZOIJSGH-AOIWGVFYSA-N 1 1 393.495 2.109 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164810767 721582484 /nfs/dbraw/zinc/58/24/84/721582484.db2.gz WDDCBHKYUHWXIN-AQNXPRMDSA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164810767 721582485 /nfs/dbraw/zinc/58/24/85/721582485.db2.gz WDDCBHKYUHWXIN-AQNXPRMDSA-N 1 1 376.464 2.288 20 0 GEADMO Cn1cnc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164904260 721700113 /nfs/dbraw/zinc/70/01/13/721700113.db2.gz DZRXOJCNIIZMTC-LJQANCHMSA-N 1 1 399.449 2.496 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3[nH]cnc3cc2Cl)CC1 ZINC001165009474 721740186 /nfs/dbraw/zinc/74/01/86/721740186.db2.gz FNKXKQNUWRPXJI-UHFFFAOYSA-N 1 1 376.892 2.134 20 0 GEADMO COC(=O)c1nccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908372 721748767 /nfs/dbraw/zinc/74/87/67/721748767.db2.gz GXGLDBCUOWXBMS-UHFFFAOYSA-N 1 1 393.447 2.446 20 0 GEADMO COC(=O)c1nccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908372 721748773 /nfs/dbraw/zinc/74/87/73/721748773.db2.gz GXGLDBCUOWXBMS-UHFFFAOYSA-N 1 1 393.447 2.446 20 0 GEADMO COC(=O)c1cncnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028360 721813483 /nfs/dbraw/zinc/81/34/83/721813483.db2.gz XQGKOAABXRTIKR-KFKAGJAMSA-N 1 1 381.480 2.395 20 0 GEADMO Cc1nc(N(C)C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019736 721816658 /nfs/dbraw/zinc/81/66/58/721816658.db2.gz BMQNFZCJBYRLPD-WDSOQIARSA-N 1 1 381.528 2.378 20 0 GEADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)CC1 ZINC001164935920 721878464 /nfs/dbraw/zinc/87/84/64/721878464.db2.gz YGWZXRNAKUIZNU-WOJBJXKFSA-N 1 1 385.556 2.168 20 0 GEADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)CC1 ZINC001164935920 721878466 /nfs/dbraw/zinc/87/84/66/721878466.db2.gz YGWZXRNAKUIZNU-WOJBJXKFSA-N 1 1 385.556 2.168 20 0 GEADMO C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165039376 721883467 /nfs/dbraw/zinc/88/34/67/721883467.db2.gz ZAOWWKASUQRIDG-CYBMUJFWSA-N 1 1 385.537 2.491 20 0 GEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc(C(N)=S)c2ccsc21 ZINC001164935069 721889973 /nfs/dbraw/zinc/88/99/73/721889973.db2.gz VLLUDGPBZURBMN-CABCVRRESA-N 1 1 375.567 2.145 20 0 GEADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc(C(N)=S)c2ccsc21 ZINC001164935069 721889975 /nfs/dbraw/zinc/88/99/75/721889975.db2.gz VLLUDGPBZURBMN-CABCVRRESA-N 1 1 375.567 2.145 20 0 GEADMO COC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939844 721923289 /nfs/dbraw/zinc/92/32/89/721923289.db2.gz NYGXWSAIGRJTQW-UHFFFAOYSA-N 1 1 396.491 2.443 20 0 GEADMO CCOC(=O)c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(OC)c1 ZINC001165043952 721957546 /nfs/dbraw/zinc/95/75/46/721957546.db2.gz AOYRVUIQUFEIAE-UHFFFAOYSA-N 1 1 385.464 2.468 20 0 GEADMO CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001164955200 721990653 /nfs/dbraw/zinc/99/06/53/721990653.db2.gz ZXQKMURFNWRWON-KBPBESRZSA-N 1 1 386.949 2.030 20 0 GEADMO CN(C)c1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2nc[nH]c21 ZINC001164955614 722019601 /nfs/dbraw/zinc/01/96/01/722019601.db2.gz KHDLBIILDRRVBF-UHFFFAOYSA-N 1 1 392.511 2.306 20 0 GEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)c2)CC1 ZINC001164957861 722048789 /nfs/dbraw/zinc/04/87/89/722048789.db2.gz LIOUXHRMMJEDGR-APWZRJJASA-N 1 1 396.491 2.499 20 0 GEADMO c1cncc(-c2nc3c(c(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)n2)CCC3)c1 ZINC001164968174 722076621 /nfs/dbraw/zinc/07/66/21/722076621.db2.gz UUUYXSACKJXRKK-HDICACEKSA-N 1 1 377.492 2.327 20 0 GEADMO CCN(C)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985160 722098906 /nfs/dbraw/zinc/09/89/06/722098906.db2.gz VDRQQTNRDGOIEK-MOPGFXCFSA-N 1 1 382.512 2.055 20 0 GEADMO Fc1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982838 722100133 /nfs/dbraw/zinc/10/01/33/722100133.db2.gz PJBIDWCMXVSSLZ-HOCLYGCPSA-N 1 1 377.851 2.391 20 0 GEADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncnc5ncccc54)CC[C@H]3C2)c1 ZINC001164975457 722104137 /nfs/dbraw/zinc/10/41/37/722104137.db2.gz BSGVOMWSIWSOAY-HKUYNNGSSA-N 1 1 376.464 2.147 20 0 GEADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncnc5ncccc54)CC[C@H]3C2)c1 ZINC001164975460 722104393 /nfs/dbraw/zinc/10/43/93/722104393.db2.gz BSGVOMWSIWSOAY-PKOBYXMFSA-N 1 1 376.464 2.147 20 0 GEADMO Cn1cnc2c1ccnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980001 722105321 /nfs/dbraw/zinc/10/53/21/722105321.db2.gz IRGHGBHDZIFEEY-HKUYNNGSSA-N 1 1 378.480 2.091 20 0 GEADMO Cc1cc2c(ncnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981855 722109369 /nfs/dbraw/zinc/10/93/69/722109369.db2.gz VJRHSOCBXPZHDI-MJGOQNOKSA-N 1 1 378.480 2.389 20 0 GEADMO CC(=O)Nc1cccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978177 722117308 /nfs/dbraw/zinc/11/73/08/722117308.db2.gz NSRHJOOUIXKQCT-RTBURBONSA-N 1 1 381.480 2.162 20 0 GEADMO COC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164980502 722125452 /nfs/dbraw/zinc/12/54/52/722125452.db2.gz RLBAILCBHUDLOO-UYAOXDASSA-N 1 1 396.491 2.299 20 0 GEADMO CC(C)Oc1cncc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982558 722143886 /nfs/dbraw/zinc/14/38/86/722143886.db2.gz RPNUFNGEWJMPKS-OALUTQOASA-N 1 1 383.496 2.386 20 0 GEADMO COCCO[C@@H]1CCN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]1Cc1cnn(C)c1 ZINC001164999682 722225154 /nfs/dbraw/zinc/22/51/54/722225154.db2.gz OAFGXCWHRLVJRS-LEWJYISDSA-N 1 1 399.539 2.262 20 0 GEADMO Cc1nc2sccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164998161 722228974 /nfs/dbraw/zinc/22/89/74/722228974.db2.gz YWZIJWNXQULYQB-UHFFFAOYSA-N 1 1 395.536 2.147 20 0 GEADMO CCc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc(C)[nH+]1 ZINC001165004930 722268434 /nfs/dbraw/zinc/26/84/34/722268434.db2.gz FETVOEHCSPEISI-OAQYLSRUSA-N 1 1 383.471 2.414 20 0 GEADMO Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc12 ZINC000014482481 210118019 /nfs/dbraw/zinc/11/80/19/210118019.db2.gz FCLUIMJHUJWZDZ-UHFFFAOYSA-N 1 1 397.504 2.075 20 0 GEADMO O=C(CN1c2ccccc2OCCC1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012950221 210036800 /nfs/dbraw/zinc/03/68/00/210036800.db2.gz VGCWXKBGFHMUMN-SFHVURJKSA-N 1 1 379.460 2.193 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000151553154 531511271 /nfs/dbraw/zinc/51/12/71/531511271.db2.gz FQMOBNWSEVYCJU-NEPJUHHUSA-N 1 1 383.290 2.019 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000151422113 531500513 /nfs/dbraw/zinc/50/05/13/531500513.db2.gz RXCUEAWKDVDQNV-HNNXBMFYSA-N 1 1 395.301 2.219 20 0 GEADMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000007436315 531541595 /nfs/dbraw/zinc/54/15/95/531541595.db2.gz XREQETLWHZYIOM-LBPRGKRZSA-N 1 1 394.269 2.232 20 0 GEADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000152376998 531547459 /nfs/dbraw/zinc/54/74/59/531547459.db2.gz ZBYWMFJGVNFMFE-ZDUSSCGKSA-N 1 1 385.555 2.087 20 0 GEADMO C[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000152435063 531549883 /nfs/dbraw/zinc/54/98/83/531549883.db2.gz PHJRXHIBRUDFMM-MLGOLLRUSA-N 1 1 382.302 2.236 20 0 GEADMO C[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000152435063 531549887 /nfs/dbraw/zinc/54/98/87/531549887.db2.gz PHJRXHIBRUDFMM-MLGOLLRUSA-N 1 1 382.302 2.236 20 0 GEADMO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000152619499 531563073 /nfs/dbraw/zinc/56/30/73/531563073.db2.gz BCFINKQDCMAUPP-MNOVXSKESA-N 1 1 378.420 2.214 20 0 GEADMO O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000152619499 531563077 /nfs/dbraw/zinc/56/30/77/531563077.db2.gz BCFINKQDCMAUPP-MNOVXSKESA-N 1 1 378.420 2.214 20 0 GEADMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000152494615 531554198 /nfs/dbraw/zinc/55/41/98/531554198.db2.gz PPXNNUISKLSLKM-RDTXWAMCSA-N 1 1 397.313 2.460 20 0 GEADMO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000152494615 531554202 /nfs/dbraw/zinc/55/42/02/531554202.db2.gz PPXNNUISKLSLKM-RDTXWAMCSA-N 1 1 397.313 2.460 20 0 GEADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)N3CCSCC3)CC2)cs1 ZINC000152465715 531554761 /nfs/dbraw/zinc/55/47/61/531554761.db2.gz WNFDDKARGSOXJV-AWEZNQCLSA-N 1 1 382.599 2.217 20 0 GEADMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000152884852 531577843 /nfs/dbraw/zinc/57/78/43/531577843.db2.gz FSFGJZOPWMPECW-OCCSQVGLSA-N 1 1 386.901 2.216 20 0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000153177347 531592376 /nfs/dbraw/zinc/59/23/76/531592376.db2.gz RDICUQYLQFYNHN-UHFFFAOYSA-N 1 1 396.207 2.474 20 0 GEADMO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000153418009 531599419 /nfs/dbraw/zinc/59/94/19/531599419.db2.gz USSAXBJKWTYDSK-HOTGVXAUSA-N 1 1 394.313 2.355 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000153516209 531602859 /nfs/dbraw/zinc/60/28/59/531602859.db2.gz HHFBFMYLSWKRMY-OAHLLOKOSA-N 1 1 396.329 2.397 20 0 GEADMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000024675338 531606502 /nfs/dbraw/zinc/60/65/02/531606502.db2.gz VPVWLKVHWSRGJB-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000024675338 531606506 /nfs/dbraw/zinc/60/65/06/531606506.db2.gz VPVWLKVHWSRGJB-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000153740567 531606640 /nfs/dbraw/zinc/60/66/40/531606640.db2.gz ABSZYZGWMFKCII-UHFFFAOYSA-N 1 1 390.347 2.499 20 0 GEADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153932401 531611580 /nfs/dbraw/zinc/61/15/80/531611580.db2.gz HAPQGYXKPIVOKM-FRRDWIJNSA-N 1 1 397.317 2.265 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000153799035 531610044 /nfs/dbraw/zinc/61/00/44/531610044.db2.gz NYSGNNHTBFYFAD-SECBINFHSA-N 1 1 390.228 2.124 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000154422957 531625804 /nfs/dbraw/zinc/62/58/04/531625804.db2.gz FJFWHSZJDKQDEP-CYBMUJFWSA-N 1 1 397.317 2.424 20 0 GEADMO CC(C)[C@H](CNC(=O)COc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042578797 531669663 /nfs/dbraw/zinc/66/96/63/531669663.db2.gz GKQUWEWJEPUDES-KRWDZBQOSA-N 1 1 398.345 2.216 20 0 GEADMO CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)cc1Cl ZINC000155265305 531669591 /nfs/dbraw/zinc/66/95/91/531669591.db2.gz NIIFEGYEDVGWQV-UHFFFAOYSA-N 1 1 382.873 2.392 20 0 GEADMO CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000042578794 531670631 /nfs/dbraw/zinc/67/06/31/531670631.db2.gz GKQUWEWJEPUDES-QGZVFWFLSA-N 1 1 398.345 2.216 20 0 GEADMO C[C@@H](CNC(=O)CCNC(=O)c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000032428615 531652241 /nfs/dbraw/zinc/65/22/41/531652241.db2.gz LHKPJHYYYJUTBX-ZDUSSCGKSA-N 1 1 377.535 2.493 20 0 GEADMO C[C@@H](CNC(=O)CCNC(=O)c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000032428615 531652251 /nfs/dbraw/zinc/65/22/51/531652251.db2.gz LHKPJHYYYJUTBX-ZDUSSCGKSA-N 1 1 377.535 2.493 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103666 531659838 /nfs/dbraw/zinc/65/98/38/531659838.db2.gz SXVHZZZHFMFGNW-UHFFFAOYSA-N 1 1 388.917 2.082 20 0 GEADMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000040503764 531661464 /nfs/dbraw/zinc/66/14/64/531661464.db2.gz FQHNPSLDTIMGNV-LLVKDONJSA-N 1 1 377.304 2.220 20 0 GEADMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000040503764 531661474 /nfs/dbraw/zinc/66/14/74/531661474.db2.gz FQHNPSLDTIMGNV-LLVKDONJSA-N 1 1 377.304 2.220 20 0 GEADMO Cc1ccc(C(=O)NC2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)s1 ZINC000155217954 531665836 /nfs/dbraw/zinc/66/58/36/531665836.db2.gz FGNQVALMARTGAL-HNNXBMFYSA-N 1 1 381.567 2.215 20 0 GEADMO COc1ccsc1S(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000155340898 531676691 /nfs/dbraw/zinc/67/66/91/531676691.db2.gz NNILWVWUFZHMNK-UHFFFAOYSA-N 1 1 382.507 2.067 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)CSc2ccncc2)c2cccs2)CC1 ZINC000044719500 531684742 /nfs/dbraw/zinc/68/47/42/531684742.db2.gz HKVKKBCSWJUDIA-INIZCTEOSA-N 1 1 376.551 2.340 20 0 GEADMO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000155677631 531696376 /nfs/dbraw/zinc/69/63/76/531696376.db2.gz XNTNMNOUMPUEQH-UHFFFAOYSA-N 1 1 376.881 2.106 20 0 GEADMO Cc1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC000046229084 531700150 /nfs/dbraw/zinc/70/01/50/531700150.db2.gz QYPQTSPXXAJLEU-UHFFFAOYSA-N 1 1 383.290 2.043 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000047148125 531711912 /nfs/dbraw/zinc/71/19/12/531711912.db2.gz QVSWTYOOFQLPCI-CYBMUJFWSA-N 1 1 382.302 2.027 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156220335 531723590 /nfs/dbraw/zinc/72/35/90/531723590.db2.gz KRGXVMQIFBHHCB-OLZOCXBDSA-N 1 1 383.290 2.238 20 0 GEADMO C[C@@H](NC(=O)C[NH+]1CCC(CC(N)=O)CC1)c1ccc(Br)cc1 ZINC000048024911 531726655 /nfs/dbraw/zinc/72/66/55/531726655.db2.gz SGFRJHXUZDRFNJ-GFCCVEGCSA-N 1 1 382.302 2.214 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000047676204 531719436 /nfs/dbraw/zinc/71/94/36/531719436.db2.gz LJXDDHWDYBRBCN-UHFFFAOYSA-N 1 1 393.285 2.280 20 0 GEADMO CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000050998481 531739126 /nfs/dbraw/zinc/73/91/26/531739126.db2.gz UTOFRJPTWWGGFP-HOCLYGCPSA-N 1 1 399.329 2.427 20 0 GEADMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCNS(C)(=O)=O ZINC000051188396 531740114 /nfs/dbraw/zinc/74/01/14/531740114.db2.gz BFVIXNXOLFZPLL-UHFFFAOYSA-N 1 1 391.324 2.185 20 0 GEADMO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000157386369 531740326 /nfs/dbraw/zinc/74/03/26/531740326.db2.gz NCMXNFLBXIUJAG-LBPRGKRZSA-N 1 1 382.507 2.308 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000157628118 531748370 /nfs/dbraw/zinc/74/83/70/531748370.db2.gz WSNBZZBQGRCVFZ-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO Cc1c(I)cccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157813895 531755898 /nfs/dbraw/zinc/75/58/98/531755898.db2.gz XBHUEZOTHKLIDU-FZMZJTMJSA-N 1 1 388.249 2.049 20 0 GEADMO Cc1c(I)cccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157813895 531755910 /nfs/dbraw/zinc/75/59/10/531755910.db2.gz XBHUEZOTHKLIDU-FZMZJTMJSA-N 1 1 388.249 2.049 20 0 GEADMO Cc1c(I)cccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000157814179 531756179 /nfs/dbraw/zinc/75/61/79/531756179.db2.gz XBHUEZOTHKLIDU-SMDDNHRTSA-N 1 1 388.249 2.049 20 0 GEADMO Cc1c(I)cccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000157814179 531756187 /nfs/dbraw/zinc/75/61/87/531756187.db2.gz XBHUEZOTHKLIDU-SMDDNHRTSA-N 1 1 388.249 2.049 20 0 GEADMO CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CSCCS3)cc2)CC1 ZINC000158049199 531764683 /nfs/dbraw/zinc/76/46/83/531764683.db2.gz VNDSALJACAURNC-GOSISDBHSA-N 1 1 379.595 2.289 20 0 GEADMO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COC1CCOCC1 ZINC000158186230 531769256 /nfs/dbraw/zinc/76/92/56/531769256.db2.gz GPXPOYZVNLGQFY-CQSZACIVSA-N 1 1 378.296 2.344 20 0 GEADMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2nc3ccccc3n2C)c(C)s1 ZINC000158396234 531777750 /nfs/dbraw/zinc/77/77/50/531777750.db2.gz WCGFAKOUIZCKMF-UHFFFAOYSA-N 1 1 378.523 2.320 20 0 GEADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000159350909 531780041 /nfs/dbraw/zinc/78/00/41/531780041.db2.gz LLDOCTOZBRSOAZ-ZDUSSCGKSA-N 1 1 382.302 2.482 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000058924425 531839112 /nfs/dbraw/zinc/83/91/12/531839112.db2.gz JYJFXJUNLKIXPD-ZDUSSCGKSA-N 1 1 379.917 2.471 20 0 GEADMO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000162252934 531839598 /nfs/dbraw/zinc/83/95/98/531839598.db2.gz FFZSLJMKSQYUFF-UKRRQHHQSA-N 1 1 393.260 2.378 20 0 GEADMO O=C(CCOc1cccc(Br)c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061650571 531855251 /nfs/dbraw/zinc/85/52/51/531855251.db2.gz YEOLQMWSOYVAMF-GOEBONIOSA-N 1 1 383.286 2.197 20 0 GEADMO CC[NH+]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000060866421 531847164 /nfs/dbraw/zinc/84/71/64/531847164.db2.gz QSHUJNWJGLJCLU-INIZCTEOSA-N 1 1 382.302 2.181 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000164076554 531867298 /nfs/dbraw/zinc/86/72/98/531867298.db2.gz OZQLMASMDWGOQG-GUYCJALGSA-N 1 1 388.339 2.417 20 0 GEADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000163237125 531855755 /nfs/dbraw/zinc/85/57/55/531855755.db2.gz AFSKWJBSALWTFX-UHFFFAOYSA-N 1 1 390.228 2.220 20 0 GEADMO CC(C)[N@@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000064139145 531864163 /nfs/dbraw/zinc/86/41/63/531864163.db2.gz XTBSMAWZMLKRIE-UHFFFAOYSA-N 1 1 376.238 2.256 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000171227013 531899113 /nfs/dbraw/zinc/89/91/13/531899113.db2.gz NSNWQYPIMBDZJA-LBPRGKRZSA-N 1 1 380.286 2.297 20 0 GEADMO Brc1ccccc1-n1nnnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000068968528 531906941 /nfs/dbraw/zinc/90/69/41/531906941.db2.gz FMDDSOJFMYTVOW-GFCCVEGCSA-N 1 1 378.274 2.426 20 0 GEADMO Brc1ccccc1-n1nnnc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000068968528 531906950 /nfs/dbraw/zinc/90/69/50/531906950.db2.gz 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KXATYJOVCIVGKI-NWDGAFQWSA-N 1 1 397.317 2.328 20 0 GEADMO COc1cc(Br)ccc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000133354940 532232421 /nfs/dbraw/zinc/23/24/21/532232421.db2.gz WKNCWACEEUDJFD-MRXNPFEDSA-N 1 1 398.345 2.460 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cncc(I)c3)CC[C@@H]21 ZINC000133357531 532232915 /nfs/dbraw/zinc/23/29/15/532232915.db2.gz WENRTKOMDSYYQI-FZMZJTMJSA-N 1 1 385.249 2.243 20 0 GEADMO COc1cc(Br)ccc1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000133377037 532233683 /nfs/dbraw/zinc/23/36/83/532233683.db2.gz FQPCXSIEOKPFFC-CYBMUJFWSA-N 1 1 384.318 2.071 20 0 GEADMO O=C(C[N@@H+]1CCc2ccsc2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000132983689 532225020 /nfs/dbraw/zinc/22/50/20/532225020.db2.gz XQRYGAXQSDWCBD-UHFFFAOYSA-N 1 1 375.519 2.152 20 0 GEADMO O=C(C[N@H+]1CCc2ccsc2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000132983689 532225026 /nfs/dbraw/zinc/22/50/26/532225026.db2.gz XQRYGAXQSDWCBD-UHFFFAOYSA-N 1 1 375.519 2.152 20 0 GEADMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)[C@@H]1CO ZINC000133025379 532225845 /nfs/dbraw/zinc/22/58/45/532225845.db2.gz ADMJVLFEHARGLA-SMDDNHRTSA-N 1 1 388.249 2.323 20 0 GEADMO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)n1 ZINC000133072175 532226937 /nfs/dbraw/zinc/22/69/37/532226937.db2.gz RHKLCULRYMPIBQ-ZDUSSCGKSA-N 1 1 383.290 2.339 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179730035 532242132 /nfs/dbraw/zinc/24/21/32/532242132.db2.gz OXONZEKRCRRNPS-GFCCVEGCSA-N 1 1 383.290 2.082 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000179757689 532243107 /nfs/dbraw/zinc/24/31/07/532243107.db2.gz GZGVKSDVAOAHEY-UHFFFAOYSA-N 1 1 385.302 2.377 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000179760283 532243222 /nfs/dbraw/zinc/24/32/22/532243222.db2.gz JSWFQYHKDXGXGU-UHFFFAOYSA-N 1 1 399.285 2.097 20 0 GEADMO COc1ccc(Br)c(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000133882585 532244700 /nfs/dbraw/zinc/24/47/00/532244700.db2.gz WSWSERBEHBRCJJ-OAHLLOKOSA-N 1 1 399.329 2.353 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133915823 532245614 /nfs/dbraw/zinc/24/56/14/532245614.db2.gz UJLCUOQWDISSTL-CYBMUJFWSA-N 1 1 382.302 2.496 20 0 GEADMO C[C@H](CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000179892450 532249025 /nfs/dbraw/zinc/24/90/25/532249025.db2.gz SSNOCZYOZHNJSW-DYVFJYSZSA-N 1 1 388.339 2.417 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000179891851 532249096 /nfs/dbraw/zinc/24/90/96/532249096.db2.gz MBVKULNRJBFYCX-TZMCWYRMSA-N 1 1 395.301 2.034 20 0 GEADMO COC(=O)c1cc(C)ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000134079290 532249348 /nfs/dbraw/zinc/24/93/48/532249348.db2.gz HQHDTNFKGDOCJT-AWEZNQCLSA-N 1 1 382.507 2.424 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2OC)[C@H](C)C1 ZINC000180390832 532270558 /nfs/dbraw/zinc/27/05/58/532270558.db2.gz LYQRBXSAGBBVNN-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2OC)[C@H](C)C1 ZINC000180390832 532270560 /nfs/dbraw/zinc/27/05/60/532270560.db2.gz LYQRBXSAGBBVNN-GFCCVEGCSA-N 1 1 399.285 2.167 20 0 GEADMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000134362264 532254635 /nfs/dbraw/zinc/25/46/35/532254635.db2.gz ZJEINAMTGOTPOQ-ZDUSSCGKSA-N 1 1 391.896 2.210 20 0 GEADMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCCC[C@H](SC)C1 ZINC000134605990 532259350 /nfs/dbraw/zinc/25/93/50/532259350.db2.gz XAPMIQPPHRKTLK-INIZCTEOSA-N 1 1 383.583 2.430 20 0 GEADMO C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000134708428 532262146 /nfs/dbraw/zinc/26/21/46/532262146.db2.gz AOLTVGNOVZCKJV-LSDHHAIUSA-N 1 1 387.571 2.083 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000135378269 532272350 /nfs/dbraw/zinc/27/23/50/532272350.db2.gz FCXFSEJZXAYQAI-IAQYHMDHSA-N 1 1 399.285 2.022 20 0 GEADMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000180611956 532275442 /nfs/dbraw/zinc/27/54/42/532275442.db2.gz YXJHIBBDOPARBG-HNNXBMFYSA-N 1 1 396.333 2.478 20 0 GEADMO COc1ccc(OC(F)F)c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180628198 532276242 /nfs/dbraw/zinc/27/62/42/532276242.db2.gz SPUWBXZJUKZOSJ-UHFFFAOYSA-N 1 1 378.441 2.152 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000180685791 532277338 /nfs/dbraw/zinc/27/73/38/532277338.db2.gz JYJNFFHNPQVUQJ-UHFFFAOYSA-N 1 1 388.331 2.199 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000180685791 532277344 /nfs/dbraw/zinc/27/73/44/532277344.db2.gz JYJNFFHNPQVUQJ-UHFFFAOYSA-N 1 1 388.331 2.199 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@H]1C ZINC000180756369 532280869 /nfs/dbraw/zinc/28/08/69/532280869.db2.gz VHGAEGWBHQMTIU-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO CC[C@@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@@H+]1C[C@@H](C)O ZINC000136258991 532283438 /nfs/dbraw/zinc/28/34/38/532283438.db2.gz RMLFBEUPRHPMBY-GHMZBOCLSA-N 1 1 391.331 2.436 20 0 GEADMO CC[C@@H]1CN(C(=O)c2cc(OC)c(Br)s2)CC[N@H+]1C[C@@H](C)O ZINC000136258991 532283444 /nfs/dbraw/zinc/28/34/44/532283444.db2.gz RMLFBEUPRHPMBY-GHMZBOCLSA-N 1 1 391.331 2.436 20 0 GEADMO C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000136464730 532284423 /nfs/dbraw/zinc/28/44/23/532284423.db2.gz JXQISXUPLSOFLX-GVDBMIGSSA-N 1 1 384.929 2.021 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000180878315 532285082 /nfs/dbraw/zinc/28/50/82/532285082.db2.gz KBXFCSBGMMMVMC-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000180878315 532285085 /nfs/dbraw/zinc/28/50/85/532285085.db2.gz KBXFCSBGMMMVMC-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181343092 532295743 /nfs/dbraw/zinc/29/57/43/532295743.db2.gz ZJASOXHBAKNGBA-BLLLJJGKSA-N 1 1 393.285 2.123 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cn1 ZINC000181335735 532295941 /nfs/dbraw/zinc/29/59/41/532295941.db2.gz ZGFGVQOSNJAWQJ-ZACQAIPSSA-N 1 1 389.297 2.459 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000181373381 532296302 /nfs/dbraw/zinc/29/63/02/532296302.db2.gz MDMYMIOVBRHTRZ-LBPRGKRZSA-N 1 1 397.317 2.472 20 0 GEADMO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000181400331 532297883 /nfs/dbraw/zinc/29/78/83/532297883.db2.gz GBIBEDKXVJYDFA-BXUZGUMPSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000181400331 532297884 /nfs/dbraw/zinc/29/78/84/532297884.db2.gz GBIBEDKXVJYDFA-BXUZGUMPSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181411017 532298209 /nfs/dbraw/zinc/29/82/09/532298209.db2.gz SBFJPZFRFGAVID-MLGOLLRUSA-N 1 1 393.285 2.123 20 0 GEADMO CN(Cc1cscn1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000147230560 532299075 /nfs/dbraw/zinc/29/90/75/532299075.db2.gz AOFRDEYVRWBBSY-OAHLLOKOSA-N 1 1 379.555 2.335 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000181445705 532299143 /nfs/dbraw/zinc/29/91/43/532299143.db2.gz VDKXSLMLGFHLPS-RYUDHWBXSA-N 1 1 383.290 2.019 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CSc2cccc(Br)c2)cn1 ZINC000181449517 532299322 /nfs/dbraw/zinc/29/93/22/532299322.db2.gz WKBFYSBXWSKYAB-HNNXBMFYSA-N 1 1 395.326 2.448 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000181474359 532299486 /nfs/dbraw/zinc/29/94/86/532299486.db2.gz OHSLEDXIYPWLCN-NSHDSACASA-N 1 1 378.885 2.298 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)[N@H+]1CCc2sccc2C1 ZINC000181474359 532299489 /nfs/dbraw/zinc/29/94/89/532299489.db2.gz OHSLEDXIYPWLCN-NSHDSACASA-N 1 1 378.885 2.298 20 0 GEADMO CC(C)[C@@H]([NH2+][C@H](C)Cn1cc(Br)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000181631926 532303916 /nfs/dbraw/zinc/30/39/16/532303916.db2.gz UHKSHHXQIJKZMS-MWLCHTKSSA-N 1 1 395.265 2.189 20 0 GEADMO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000181894416 532307299 /nfs/dbraw/zinc/30/72/99/532307299.db2.gz WGDUVWCEWIKNMB-MRXNPFEDSA-N 1 1 385.302 2.227 20 0 GEADMO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000181894416 532307301 /nfs/dbraw/zinc/30/73/01/532307301.db2.gz WGDUVWCEWIKNMB-MRXNPFEDSA-N 1 1 385.302 2.227 20 0 GEADMO COC(=O)CC[N@H+]1CCN(CCOc2ccccc2Br)[C@@H](C)C1 ZINC000182095958 532309115 /nfs/dbraw/zinc/30/91/15/532309115.db2.gz YSCUWCWDKNQIQH-AWEZNQCLSA-N 1 1 385.302 2.397 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2csnn2)c1 ZINC000182186830 532310029 /nfs/dbraw/zinc/31/00/29/532310029.db2.gz LCGSWELIBIMOAZ-UHFFFAOYSA-N 1 1 385.287 2.219 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1cc(F)ccc1Br ZINC000182408367 532312723 /nfs/dbraw/zinc/31/27/23/532312723.db2.gz YHSGFRCJYLKDKE-CYBMUJFWSA-N 1 1 386.309 2.273 20 0 GEADMO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000182650644 532316078 /nfs/dbraw/zinc/31/60/78/532316078.db2.gz LPJGMOFCVURLBX-ZIAGYGMSSA-N 1 1 389.315 2.333 20 0 GEADMO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000182659222 532316131 /nfs/dbraw/zinc/31/61/31/532316131.db2.gz 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532341718 /nfs/dbraw/zinc/34/17/18/532341718.db2.gz MBFNRPUKIXVLBQ-ZDUSSCGKSA-N 1 1 376.429 2.103 20 0 GEADMO O=C(CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1)NC1CCCC1 ZINC000186786053 532341847 /nfs/dbraw/zinc/34/18/47/532341847.db2.gz UACYOLLDRYQZSW-UHFFFAOYSA-N 1 1 377.436 2.128 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186777142 532341900 /nfs/dbraw/zinc/34/19/00/532341900.db2.gz FGWXVPNRGZVFNI-JTQLQIEISA-N 1 1 388.331 2.182 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000186813316 532342033 /nfs/dbraw/zinc/34/20/33/532342033.db2.gz HACIAAPUKLGOLG-NSHDSACASA-N 1 1 388.249 2.323 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000186943142 532342626 /nfs/dbraw/zinc/34/26/26/532342626.db2.gz LYERHUAXINEKTE-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000186943142 532342627 /nfs/dbraw/zinc/34/26/27/532342627.db2.gz LYERHUAXINEKTE-NWDGAFQWSA-N 1 1 380.286 2.458 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C[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)CC[N@H+]1CC(C)(C)O ZINC000188679625 532348973 /nfs/dbraw/zinc/34/89/73/532348973.db2.gz OZDIQWOFLSKEHV-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2cccc(Br)c2C)CC1 ZINC000188682992 532348999 /nfs/dbraw/zinc/34/89/99/532348999.db2.gz GHEUBWVCSUQMQH-CYBMUJFWSA-N 1 1 397.313 2.396 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188672816 532349112 /nfs/dbraw/zinc/34/91/12/532349112.db2.gz GSYGYIWXDICGBM-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188672816 532349113 /nfs/dbraw/zinc/34/91/13/532349113.db2.gz GSYGYIWXDICGBM-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc2ccc(Br)cn12 ZINC000188743779 532349360 /nfs/dbraw/zinc/34/93/60/532349360.db2.gz VYNHZZIMUPMPHS-ZDUSSCGKSA-N 1 1 381.318 2.374 20 0 GEADMO C[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000188740252 532349467 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C[NH+]1CCN(C(=O)CCNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189484435 532352357 /nfs/dbraw/zinc/35/23/57/532352357.db2.gz NFQAYZJXJGXZJG-UHFFFAOYSA-N 1 1 377.794 2.253 20 0 GEADMO CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@H](O)C(F)(F)F ZINC000189514119 532352489 /nfs/dbraw/zinc/35/24/89/532352489.db2.gz DGXXPLQKQRPPAR-YPMHNXCESA-N 1 1 386.208 2.434 20 0 GEADMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189771925 532353614 /nfs/dbraw/zinc/35/36/14/532353614.db2.gz HMQXQXZGMRWSMA-CQSZACIVSA-N 1 1 399.329 2.269 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189942409 532354144 /nfs/dbraw/zinc/35/41/44/532354144.db2.gz IJHDMRZXLVHLOY-CQSZACIVSA-N 1 1 380.432 2.181 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000189950886 532354276 /nfs/dbraw/zinc/35/42/76/532354276.db2.gz KPWRRXDFQOWHAB-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000190010534 532354559 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Cc1cccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1Br ZINC000190499575 532356426 /nfs/dbraw/zinc/35/64/26/532356426.db2.gz RXHJMIXXVPRDRI-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190549511 532356774 /nfs/dbraw/zinc/35/67/74/532356774.db2.gz UPUKMRGIPAHSKG-UHFFFAOYSA-N 1 1 380.247 2.156 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc(C)c1Br ZINC000190598431 532357033 /nfs/dbraw/zinc/35/70/33/532357033.db2.gz OYMIFHZDAADTMZ-AWEZNQCLSA-N 1 1 380.286 2.311 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000190831794 532358102 /nfs/dbraw/zinc/35/81/02/532358102.db2.gz YLAKXMSCRJDNAD-WFASDCNBSA-N 1 1 382.302 2.495 20 0 GEADMO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1(CO)CCOCC1 ZINC000190987968 532359015 /nfs/dbraw/zinc/35/90/15/532359015.db2.gz FFKOMRPHEZRMHN-UHFFFAOYSA-N 1 1 396.285 2.396 20 0 GEADMO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1(CO)CCOCC1 ZINC000190987968 532359016 /nfs/dbraw/zinc/35/90/16/532359016.db2.gz FFKOMRPHEZRMHN-UHFFFAOYSA-N 1 1 396.285 2.396 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191261008 532360232 /nfs/dbraw/zinc/36/02/32/532360232.db2.gz PRJFKLRVMCVBGG-UHFFFAOYSA-N 1 1 390.228 2.218 20 0 GEADMO C[C@@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)N1CC[NH+](C)CC1 ZINC000187354340 532343991 /nfs/dbraw/zinc/34/39/91/532343991.db2.gz KCVGXAUFXYTTEG-LBPRGKRZSA-N 1 1 379.917 2.357 20 0 GEADMO C[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+]1CCO ZINC000187670449 532345082 /nfs/dbraw/zinc/34/50/82/532345082.db2.gz SBOSTVCEFWRBMK-AWEZNQCLSA-N 1 1 391.313 2.405 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1CCO ZINC000187720136 532345238 /nfs/dbraw/zinc/34/52/38/532345238.db2.gz XWYHICJSNGJYIS-NSHDSACASA-N 1 1 390.709 2.039 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CC[N@H+]1CCO ZINC000187720136 532345239 /nfs/dbraw/zinc/34/52/39/532345239.db2.gz XWYHICJSNGJYIS-NSHDSACASA-N 1 1 390.709 2.039 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000187728204 532345338 /nfs/dbraw/zinc/34/53/38/532345338.db2.gz YKNNZKYJUQESIU-UHFFFAOYSA-N 1 1 398.301 2.339 20 0 GEADMO COc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1OC ZINC000372116685 532372389 /nfs/dbraw/zinc/37/23/89/532372389.db2.gz QGUVLITXLVVVOA-AWEZNQCLSA-N 1 1 385.302 2.373 20 0 GEADMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463428945 532373098 /nfs/dbraw/zinc/37/30/98/532373098.db2.gz MACVSVRBIUFUQB-ZDUSSCGKSA-N 1 1 396.329 2.049 20 0 GEADMO Cn1cc(N2CC[C@@H]([N@@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463430332 532373119 /nfs/dbraw/zinc/37/31/19/532373119.db2.gz VNLNJNDVGSATPJ-MRXNPFEDSA-N 1 1 377.286 2.462 20 0 GEADMO Cc1nc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1Br ZINC000278203421 532373908 /nfs/dbraw/zinc/37/39/08/532373908.db2.gz VLCKQBOTNFHYSN-UHFFFAOYSA-N 1 1 383.290 2.034 20 0 GEADMO O=C(c1ccc(Br)cc1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590496729 532373947 /nfs/dbraw/zinc/37/39/47/532373947.db2.gz MVTAYBCSCZVXIE-CQSZACIVSA-N 1 1 383.286 2.482 20 0 GEADMO O=C(c1ccc(Br)cc1O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000590496729 532373952 /nfs/dbraw/zinc/37/39/52/532373952.db2.gz MVTAYBCSCZVXIE-CQSZACIVSA-N 1 1 383.286 2.482 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000278332988 532375393 /nfs/dbraw/zinc/37/53/93/532375393.db2.gz GQNIWPHVXFYWNG-GFCCVEGCSA-N 1 1 376.881 2.353 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000278332988 532375402 /nfs/dbraw/zinc/37/54/02/532375402.db2.gz GQNIWPHVXFYWNG-GFCCVEGCSA-N 1 1 376.881 2.353 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000191969076 532376517 /nfs/dbraw/zinc/37/65/17/532376517.db2.gz BHDCBXIEXQKVGM-NSHDSACASA-N 1 1 386.265 2.293 20 0 GEADMO CC(C)[C@H](CNC(=O)Cc1cscc1Br)N1CC[NH+](C)CC1 ZINC000294723032 532376751 /nfs/dbraw/zinc/37/67/51/532376751.db2.gz KEIFWOFGKCCRLY-HNNXBMFYSA-N 1 1 388.375 2.441 20 0 GEADMO Cc1c(Br)cccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 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CC(C)NC(=O)C[N@H+]1CCCN(Cc2cc(O)ccc2Br)CC1 ZINC000372392243 532389187 /nfs/dbraw/zinc/38/91/87/532389187.db2.gz UFINOXMXKGRTJE-UHFFFAOYSA-N 1 1 384.318 2.187 20 0 GEADMO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)n1cc(Br)cn1 ZINC000648326247 532394244 /nfs/dbraw/zinc/39/42/44/532394244.db2.gz AYMZWDGJNHBUOO-FVQBIDKESA-N 1 1 399.333 2.356 20 0 GEADMO COc1cc(Br)c(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000294987484 532394359 /nfs/dbraw/zinc/39/43/59/532394359.db2.gz TUQGVLTWRHSGBS-UHFFFAOYSA-N 1 1 397.273 2.196 20 0 GEADMO O=S1(=O)CC[C@@H](CC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000678537079 532398414 /nfs/dbraw/zinc/39/84/14/532398414.db2.gz ANCRCNXXEOAAQB-OCCSQVGLSA-N 1 1 378.416 2.378 20 0 GEADMO O=S1(=O)CC[C@@H](CC[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000678537079 532398421 /nfs/dbraw/zinc/39/84/21/532398421.db2.gz ANCRCNXXEOAAQB-OCCSQVGLSA-N 1 1 378.416 2.378 20 0 GEADMO O=S(=O)(Cc1ccc(C(F)F)cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000559053570 532399873 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396.329 2.187 20 0 GEADMO CC(C)(CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000650687332 532451489 /nfs/dbraw/zinc/45/14/89/532451489.db2.gz DEPXKCSLINCFNF-MRXNPFEDSA-N 1 1 396.329 2.187 20 0 GEADMO Cc1c(Br)cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(=O)n1C ZINC000683396549 532457067 /nfs/dbraw/zinc/45/70/67/532457067.db2.gz GBMGWEBPNQGBCW-UHFFFAOYSA-N 1 1 390.281 2.202 20 0 GEADMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565679 532456653 /nfs/dbraw/zinc/45/66/53/532456653.db2.gz DRFXMYQFUDVZCV-OLZOCXBDSA-N 1 1 388.917 2.402 20 0 GEADMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565679 532456656 /nfs/dbraw/zinc/45/66/56/532456656.db2.gz DRFXMYQFUDVZCV-OLZOCXBDSA-N 1 1 388.917 2.402 20 0 GEADMO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000428796024 532462133 /nfs/dbraw/zinc/46/21/33/532462133.db2.gz UFZSADPZYBXQAX-HNNXBMFYSA-N 1 1 391.237 2.085 20 0 GEADMO CCC[C@H](C)S(=O)(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519164040 532458353 /nfs/dbraw/zinc/45/83/53/532458353.db2.gz ADQZAIQXBAUNMR-BBWFWOEESA-N 1 1 376.563 2.095 20 0 GEADMO CCC[C@H](C)S(=O)(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519164040 532458359 /nfs/dbraw/zinc/45/83/59/532458359.db2.gz ADQZAIQXBAUNMR-BBWFWOEESA-N 1 1 376.563 2.095 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]2C1 ZINC000194919829 532463853 /nfs/dbraw/zinc/46/38/53/532463853.db2.gz LFNVORKAZBMYBF-AOOOYVTPSA-N 1 1 375.778 2.317 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncnc3cc(Br)sc32)C1 ZINC000651304796 532464171 /nfs/dbraw/zinc/46/41/71/532464171.db2.gz MOUDSKGSOMFUKF-JTQLQIEISA-N 1 1 398.330 2.453 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000651304864 532464217 /nfs/dbraw/zinc/46/42/17/532464217.db2.gz QAJSJFSPQSMGTR-LBPRGKRZSA-N 1 1 379.917 2.858 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314347 532464911 /nfs/dbraw/zinc/46/49/11/532464911.db2.gz XOPPTVZPILWKKR-NSHDSACASA-N 1 1 396.358 3.034 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314347 532464916 /nfs/dbraw/zinc/46/49/16/532464916.db2.gz XOPPTVZPILWKKR-NSHDSACASA-N 1 1 396.358 3.034 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000468459965 532465075 /nfs/dbraw/zinc/46/50/75/532465075.db2.gz JSDBOTCDKVIMKE-OAHLLOKOSA-N 1 1 396.329 2.416 20 0 GEADMO CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000373721379 532465374 /nfs/dbraw/zinc/46/53/74/532465374.db2.gz STBRGLHLRXHOHS-HNNXBMFYSA-N 1 1 382.917 2.359 20 0 GEADMO CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000373721379 532465381 /nfs/dbraw/zinc/46/53/81/532465381.db2.gz STBRGLHLRXHOHS-HNNXBMFYSA-N 1 1 382.917 2.359 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(c2ncnc3cc(F)c(Br)cc32)[C@H](C)C1 ZINC000519519984 532465540 /nfs/dbraw/zinc/46/55/40/532465540.db2.gz ZMGRYMAQQXEMSE-MNOVXSKESA-N 1 1 383.265 2.423 20 0 GEADMO [NH3+]C1CCC(NC(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000428955834 532466536 /nfs/dbraw/zinc/46/65/36/532466536.db2.gz WDMLAFYDVQYVNN-UHFFFAOYSA-N 1 1 384.221 2.167 20 0 GEADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295641926 532466625 /nfs/dbraw/zinc/46/66/25/532466625.db2.gz QSZSFEXVZUBDGE-GFCCVEGCSA-N 1 1 380.290 2.488 20 0 GEADMO C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CCC[NH2+]C1 ZINC000428959471 532467140 /nfs/dbraw/zinc/46/71/40/532467140.db2.gz YACSCMNUERLJJZ-ZJUUUORDSA-N 1 1 398.248 2.285 20 0 GEADMO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000683620355 532463007 /nfs/dbraw/zinc/46/30/07/532463007.db2.gz RKOLVPQPNDYNPV-TZMCWYRMSA-N 1 1 378.270 2.182 20 0 GEADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccoc1Br ZINC000683624045 532463213 /nfs/dbraw/zinc/46/32/13/532463213.db2.gz YNPNPWNDCRTRSG-QGZVFWFLSA-N 1 1 379.254 2.409 20 0 GEADMO O=C1[C@@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CCN1CC(F)(F)F ZINC000428992732 532468465 /nfs/dbraw/zinc/46/84/65/532468465.db2.gz KSFLXPAAJWSHGL-NWDGAFQWSA-N 1 1 399.182 2.374 20 0 GEADMO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4C[C@@H]5C[C@H]4C[S@]5=O)nc(N)c23)C1 ZINC000593102041 532469554 /nfs/dbraw/zinc/46/95/54/532469554.db2.gz NZAUEJGIWFWNIV-UWFVBIGJSA-N 1 1 376.551 2.146 20 0 GEADMO C[C@H]1CCc2c(sc3nc(CC[N@H+]4C[C@@H]5C[C@H]4C[S@]5=O)nc(N)c23)C1 ZINC000593102041 532469559 /nfs/dbraw/zinc/46/95/59/532469559.db2.gz NZAUEJGIWFWNIV-UWFVBIGJSA-N 1 1 376.551 2.146 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)[C@H](C)CCO ZINC000593108264 532470617 /nfs/dbraw/zinc/47/06/17/532470617.db2.gz VRQWMPQSFJXCSJ-LLVKDONJSA-N 1 1 376.238 2.241 20 0 GEADMO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H]1CNc2ccnn2C1 ZINC000684196900 532471149 /nfs/dbraw/zinc/47/11/49/532471149.db2.gz UMNFFLZFIFTZNI-GFCCVEGCSA-N 1 1 378.274 2.258 20 0 GEADMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@H](CSC)C1 ZINC000429310623 532473206 /nfs/dbraw/zinc/47/32/06/532473206.db2.gz UOOBAWHFMOVMPS-HNNXBMFYSA-N 1 1 383.583 2.288 20 0 GEADMO Cc1c(Br)cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(=O)n1C ZINC000468487896 532467335 /nfs/dbraw/zinc/46/73/35/532467335.db2.gz NSVVMAWHNKRQED-CQSZACIVSA-N 1 1 384.318 2.306 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000195481829 532478784 /nfs/dbraw/zinc/47/87/84/532478784.db2.gz VRNQKRBYHJZIGS-LBPRGKRZSA-N 1 1 398.301 2.244 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000282579724 532481034 /nfs/dbraw/zinc/48/10/34/532481034.db2.gz LFCDSBQDROKHHD-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000282579724 532481037 /nfs/dbraw/zinc/48/10/37/532481037.db2.gz LFCDSBQDROKHHD-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629177905 532481778 /nfs/dbraw/zinc/48/17/78/532481778.db2.gz WZDWSJZKQULHJG-ZYHUDNBSSA-N 1 1 391.693 2.053 20 0 GEADMO Cc1cc(SCC(=O)NCC[N@H+]2CC[C@@H](O)C2)c(C)cc1Br ZINC000629178819 532482426 /nfs/dbraw/zinc/48/24/26/532482426.db2.gz ANUNVBMNNAQKET-CYBMUJFWSA-N 1 1 387.343 2.341 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000684794455 532484882 /nfs/dbraw/zinc/48/48/82/532484882.db2.gz NMGJNTJVWNJKDP-MSQAHXEGSA-N 1 1 382.302 2.323 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000684794455 532484890 /nfs/dbraw/zinc/48/48/90/532484890.db2.gz NMGJNTJVWNJKDP-MSQAHXEGSA-N 1 1 382.302 2.323 20 0 GEADMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000374025818 532485320 /nfs/dbraw/zinc/48/53/20/532485320.db2.gz ZGJXINRHHNYSSO-CABZTGNLSA-N 1 1 399.314 2.028 20 0 GEADMO FC(F)(F)Cn1nnnc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282799002 532496991 /nfs/dbraw/zinc/49/69/91/532496991.db2.gz QQHYGOHWOAIYFE-AWEZNQCLSA-N 1 1 375.782 2.380 20 0 GEADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)COc1cccc(Br)c1 ZINC000469019848 532486503 /nfs/dbraw/zinc/48/65/03/532486503.db2.gz SZWBSIQJGIUUGA-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)COc1cccc(Br)c1 ZINC000469019848 532486512 /nfs/dbraw/zinc/48/65/12/532486512.db2.gz SZWBSIQJGIUUGA-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO CCN1CC[NH+](CCC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000282683977 532488504 /nfs/dbraw/zinc/48/85/04/532488504.db2.gz DFGIBROKNIKZKV-MRXNPFEDSA-N 1 1 396.329 2.417 20 0 GEADMO COc1ccc(Br)cc1C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000374104771 532489169 /nfs/dbraw/zinc/48/91/69/532489169.db2.gz GKIGUDOWJLONOH-KRWDZBQOSA-N 1 1 396.285 2.268 20 0 GEADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000430102422 532489645 /nfs/dbraw/zinc/48/96/45/532489645.db2.gz OPSROOQGKWFXHB-QGZVFWFLSA-N 1 1 378.270 2.499 20 0 GEADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000430102422 532489652 /nfs/dbraw/zinc/48/96/52/532489652.db2.gz OPSROOQGKWFXHB-QGZVFWFLSA-N 1 1 378.270 2.499 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000282705559 532489714 /nfs/dbraw/zinc/48/97/14/532489714.db2.gz KDSBBCUWHLMWRK-LBPRGKRZSA-N 1 1 394.317 2.081 20 0 GEADMO 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598873553 /nfs/dbraw/zinc/87/35/53/598873553.db2.gz LXRMNSIDEAQKSS-UHFFFAOYSA-N 1 1 394.454 2.329 20 0 GEADMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736382924 598897183 /nfs/dbraw/zinc/89/71/83/598897183.db2.gz OHZQVDMABXBKOB-JKSUJKDBSA-N 1 1 392.891 2.474 20 0 GEADMO CC(C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735876052 598914911 /nfs/dbraw/zinc/91/49/11/598914911.db2.gz UGCMNXIDHDKNDH-UHFFFAOYSA-N 1 1 399.543 2.066 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736854218 598933076 /nfs/dbraw/zinc/93/30/76/598933076.db2.gz BSARJTXGYPQBDZ-KRWDZBQOSA-N 1 1 392.463 2.270 20 0 GEADMO CCC[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736471850 598989778 /nfs/dbraw/zinc/98/97/78/598989778.db2.gz XHXDESSFYYERHX-QXAKKESOSA-N 1 1 398.511 2.008 20 0 GEADMO C[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736813355 598993895 /nfs/dbraw/zinc/99/38/95/598993895.db2.gz JOHSEZUTCCUKLF-INIZCTEOSA-N 1 1 397.504 2.400 20 0 GEADMO C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736813355 598993897 /nfs/dbraw/zinc/99/38/97/598993897.db2.gz JOHSEZUTCCUKLF-INIZCTEOSA-N 1 1 397.504 2.400 20 0 GEADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738043703 598999629 /nfs/dbraw/zinc/99/96/29/598999629.db2.gz DPDJKKCHOUMDPL-QGZVFWFLSA-N 1 1 377.452 2.046 20 0 GEADMO Cc1cc(N2CCC[C@H](OC(=O)c3sccc3-c3nn[nH]n3)C2)nc(C)[nH+]1 ZINC000737270216 599028448 /nfs/dbraw/zinc/02/84/48/599028448.db2.gz CGRQQKCIAQUBDE-LBPRGKRZSA-N 1 1 385.453 2.161 20 0 GEADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736103000 599029046 /nfs/dbraw/zinc/02/90/46/599029046.db2.gz UWAVPZWROIWMNB-KBXCAEBGSA-N 1 1 377.452 2.104 20 0 GEADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736103000 599029048 /nfs/dbraw/zinc/02/90/48/599029048.db2.gz UWAVPZWROIWMNB-KBXCAEBGSA-N 1 1 377.452 2.104 20 0 GEADMO C[C@H](O)C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736145065 599048207 /nfs/dbraw/zinc/04/82/07/599048207.db2.gz AMSISNUWNSLLDR-ZDUSSCGKSA-N 1 1 386.481 2.140 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000737738786 599070726 /nfs/dbraw/zinc/07/07/26/599070726.db2.gz IFRGEQKGFPJFSS-GOSISDBHSA-N 1 1 384.484 2.207 20 0 GEADMO C[C@]1(c2ccccc2)CCC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229158 599076828 /nfs/dbraw/zinc/07/68/28/599076828.db2.gz KZQDHQJITDIVGG-NQIIRXRSSA-N 1 1 376.464 2.447 20 0 GEADMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736235955 599080008 /nfs/dbraw/zinc/08/00/08/599080008.db2.gz QKUKYCZIZJAPTB-BEFAXECRSA-N 1 1 376.464 2.361 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000821614589 599080878 /nfs/dbraw/zinc/08/08/78/599080878.db2.gz MKOPJSJSTIDFAD-QGZVFWFLSA-N 1 1 375.480 2.461 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736565332 599080952 /nfs/dbraw/zinc/08/09/52/599080952.db2.gz JTLQDYLNOKEZBD-WMLDXEAASA-N 1 1 388.541 2.289 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000737546119 599081880 /nfs/dbraw/zinc/08/18/80/599081880.db2.gz CTMFQYFJHXTBDR-GXTWGEPZSA-N 1 1 383.456 2.114 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000736616618 599103951 /nfs/dbraw/zinc/10/39/51/599103951.db2.gz UEDQBMSCNUODGF-PBHICJAKSA-N 1 1 387.488 2.125 20 0 GEADMO Cc1ccccc1[C@@H](O)C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737424334 599131603 /nfs/dbraw/zinc/13/16/03/599131603.db2.gz XFUGGDRAHOJTCY-FQEVSTJZSA-N 1 1 378.480 2.421 20 0 GEADMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CCOCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737549469 599143529 /nfs/dbraw/zinc/14/35/29/599143529.db2.gz VQGCDEYOYNOUGB-CYBMUJFWSA-N 1 1 388.472 2.296 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088630 599207425 /nfs/dbraw/zinc/20/74/25/599207425.db2.gz QEQHAFPKHSYBHV-APWZRJJASA-N 1 1 397.527 2.026 20 0 GEADMO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736170101 599220163 /nfs/dbraw/zinc/22/01/63/599220163.db2.gz RRVFUZYCRJJGMW-BEFAXECRSA-N 1 1 393.447 2.452 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000735735715 599225934 /nfs/dbraw/zinc/22/59/34/599225934.db2.gz UPBPLQVKESNQCY-FCEWJHQRSA-N 1 1 398.511 2.355 20 0 GEADMO CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1CCOC ZINC000736408537 599240773 /nfs/dbraw/zinc/24/07/73/599240773.db2.gz KAGSBNKZPYEUHF-ZDUSSCGKSA-N 1 1 393.879 2.095 20 0 GEADMO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@H+]1CCOC ZINC000736408536 599240819 /nfs/dbraw/zinc/24/08/19/599240819.db2.gz KAGSBNKZPYEUHF-CYBMUJFWSA-N 1 1 393.879 2.095 20 0 GEADMO C[C@@H]1CCC[C@@H](C)[N@@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736248358 599251180 /nfs/dbraw/zinc/25/11/80/599251180.db2.gz IMAOOPQRQXCDEY-ARGWCVDVSA-N 1 1 397.483 2.102 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](CO)Cc3ccco3)c2c1 ZINC000737249259 599264692 /nfs/dbraw/zinc/26/46/92/599264692.db2.gz VBUAYDADMQVOCK-CQSZACIVSA-N 1 1 378.436 2.310 20 0 GEADMO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821590708 607312531 /nfs/dbraw/zinc/31/25/31/607312531.db2.gz BPMCVOAWCLKDLO-LJQANCHMSA-N 1 1 391.479 2.170 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000822858567 607316461 /nfs/dbraw/zinc/31/64/61/607316461.db2.gz BJRREWZMSPNPKC-AWEZNQCLSA-N 1 1 397.508 2.238 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000821407289 599267402 /nfs/dbraw/zinc/26/74/02/599267402.db2.gz QUEHIKDLYYUSKC-GOOCMWNKSA-N 1 1 385.472 2.402 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236393 599271408 /nfs/dbraw/zinc/27/14/08/599271408.db2.gz JCENJJMDHIITSD-DAYGRLMNSA-N 1 1 383.500 2.142 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736292960 599280233 /nfs/dbraw/zinc/28/02/33/599280233.db2.gz SAABXJJUNHFGFP-AWEZNQCLSA-N 1 1 378.436 2.435 20 0 GEADMO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@H+]1C ZINC000736292960 599280236 /nfs/dbraw/zinc/28/02/36/599280236.db2.gz SAABXJJUNHFGFP-AWEZNQCLSA-N 1 1 378.436 2.435 20 0 GEADMO c1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)n[nH]1 ZINC000738411417 599290838 /nfs/dbraw/zinc/29/08/38/599290838.db2.gz DVNRMSHWLALISA-AWEZNQCLSA-N 1 1 377.412 2.019 20 0 GEADMO c1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)n[nH]1 ZINC000738411417 599290840 /nfs/dbraw/zinc/29/08/40/599290840.db2.gz DVNRMSHWLALISA-AWEZNQCLSA-N 1 1 377.412 2.019 20 0 GEADMO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000823303886 599292531 /nfs/dbraw/zinc/29/25/31/599292531.db2.gz XSBWRQSUSDGLBY-GFCCVEGCSA-N 1 1 395.389 2.491 20 0 GEADMO CC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CCCCC1 ZINC000736556543 598233244 /nfs/dbraw/zinc/23/32/44/598233244.db2.gz XTEAYYISUWITFF-FQEVSTJZSA-N 1 1 397.483 2.246 20 0 GEADMO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000735737125 598240995 /nfs/dbraw/zinc/24/09/95/598240995.db2.gz ZFCPDLWMLGGXFA-GOSISDBHSA-N 1 1 386.500 2.261 20 0 GEADMO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736315976 598248991 /nfs/dbraw/zinc/24/89/91/598248991.db2.gz WIUFREZLOPWPPP-CQSZACIVSA-N 1 1 386.500 2.403 20 0 GEADMO CC(C)[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735873282 598249224 /nfs/dbraw/zinc/24/92/24/598249224.db2.gz FDDGLYYILBPLQT-UHFFFAOYSA-N 1 1 380.452 2.141 20 0 GEADMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736270339 598249954 /nfs/dbraw/zinc/24/99/54/598249954.db2.gz JWWMFPANKWZNGE-HNAYVOBHSA-N 1 1 398.511 2.405 20 0 GEADMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736270340 598250179 /nfs/dbraw/zinc/25/01/79/598250179.db2.gz JWWMFPANKWZNGE-KXBFYZLASA-N 1 1 398.511 2.405 20 0 GEADMO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735503546 598252489 /nfs/dbraw/zinc/25/24/89/598252489.db2.gz JIEYCRFREGZFKS-UHFFFAOYSA-N 1 1 392.463 2.270 20 0 GEADMO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875717 598252690 /nfs/dbraw/zinc/25/26/90/598252690.db2.gz MHNRSCQCFYATTP-QGZVFWFLSA-N 1 1 380.427 2.112 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875717 598252691 /nfs/dbraw/zinc/25/26/91/598252691.db2.gz MHNRSCQCFYATTP-QGZVFWFLSA-N 1 1 380.427 2.112 20 0 GEADMO C[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736848985 598260213 /nfs/dbraw/zinc/26/02/13/598260213.db2.gz QJXLYNGZJAHRPN-MRXNPFEDSA-N 1 1 378.436 2.336 20 0 GEADMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735519889 598290738 /nfs/dbraw/zinc/29/07/38/598290738.db2.gz NJYOYKMAODVFMX-BBWFWOEESA-N 1 1 397.527 2.167 20 0 GEADMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738165735 598300997 /nfs/dbraw/zinc/30/09/97/598300997.db2.gz NNRIORZHTTXLEE-QGZVFWFLSA-N 1 1 381.415 2.402 20 0 GEADMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738165691 598301278 /nfs/dbraw/zinc/30/12/78/598301278.db2.gz LTSQISUXQFWVRB-QGZVFWFLSA-N 1 1 381.415 2.402 20 0 GEADMO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000736267143 598317092 /nfs/dbraw/zinc/31/70/92/598317092.db2.gz MBLZQGDKYZJSRQ-QWHCGFSZSA-N 1 1 375.452 2.068 20 0 GEADMO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738408702 598321150 /nfs/dbraw/zinc/32/11/50/598321150.db2.gz ODDPJJBZCDTYQJ-VXGBXAGGSA-N 1 1 377.905 2.433 20 0 GEADMO CC(C)CC[N@@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CC1 ZINC000735811740 598334162 /nfs/dbraw/zinc/33/41/62/598334162.db2.gz 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O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823343726 607508908 /nfs/dbraw/zinc/50/89/08/607508908.db2.gz FKEHWKCESNGYSP-SJCJKPOMSA-N 1 1 385.447 2.486 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000824261174 607509344 /nfs/dbraw/zinc/50/93/44/607509344.db2.gz CUOMFNMOYBHNAJ-LBPRGKRZSA-N 1 1 378.427 2.243 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826441651 607514580 /nfs/dbraw/zinc/51/45/80/607514580.db2.gz OAOADRSZNDMZMZ-MAUKXSAKSA-N 1 1 399.474 2.164 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262126 607515009 /nfs/dbraw/zinc/51/50/09/607515009.db2.gz YBLMGSDYTDXREJ-KRWDZBQOSA-N 1 1 385.516 2.376 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000826194718 607517228 /nfs/dbraw/zinc/51/72/28/607517228.db2.gz UGTFYGKGIIAFGG-HNNXBMFYSA-N 1 1 393.451 2.121 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000826183046 607526746 /nfs/dbraw/zinc/52/67/46/607526746.db2.gz BUIAPUMUZATQHQ-UHFFFAOYSA-N 1 1 397.483 2.188 20 0 GEADMO Cc1nccn1CCCC[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826330639 607562887 /nfs/dbraw/zinc/56/28/87/607562887.db2.gz BTCHRCAPMWELHF-UHFFFAOYSA-N 1 1 380.500 2.364 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824937765 607579939 /nfs/dbraw/zinc/57/99/39/607579939.db2.gz QUQXVKRVPLQWIM-GFCCVEGCSA-N 1 1 398.920 2.063 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000826182959 607587927 /nfs/dbraw/zinc/58/79/27/607587927.db2.gz ZRVZOSFZBAWFGU-AWEZNQCLSA-N 1 1 386.500 2.250 20 0 GEADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828466296 603328779 /nfs/dbraw/zinc/32/87/79/603328779.db2.gz NAMXTCKYFMIXBA-UHFFFAOYSA-N 1 1 381.452 2.405 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828464921 603340129 /nfs/dbraw/zinc/34/01/29/603340129.db2.gz 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2.138 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000830906094 604365406 /nfs/dbraw/zinc/36/54/06/604365406.db2.gz HVUSGDJFHAEGTM-ABSDTBQOSA-N 1 1 398.507 2.138 20 0 GEADMO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000830906094 604365411 /nfs/dbraw/zinc/36/54/11/604365411.db2.gz HVUSGDJFHAEGTM-ABSDTBQOSA-N 1 1 398.507 2.138 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)CC1 ZINC000832978948 604461918 /nfs/dbraw/zinc/46/19/18/604461918.db2.gz GDCJNTYXYGBFQQ-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)CC1 ZINC000832978948 604461921 /nfs/dbraw/zinc/46/19/21/604461921.db2.gz GDCJNTYXYGBFQQ-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2(C(=O)[O-])CCCC2)CC1 ZINC000832978948 604461925 /nfs/dbraw/zinc/46/19/25/604461925.db2.gz GDCJNTYXYGBFQQ-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2(C(=O)[O-])CCCC2)CC1 ZINC000832978948 604461934 /nfs/dbraw/zinc/46/19/34/604461934.db2.gz GDCJNTYXYGBFQQ-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833550596 605045013 /nfs/dbraw/zinc/04/50/13/605045013.db2.gz XJRFZAFUJFHJGE-YQVWRLOYSA-N 1 1 388.512 2.012 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833550596 605045015 /nfs/dbraw/zinc/04/50/15/605045015.db2.gz XJRFZAFUJFHJGE-YQVWRLOYSA-N 1 1 388.512 2.012 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833550596 605045018 /nfs/dbraw/zinc/04/50/18/605045018.db2.gz XJRFZAFUJFHJGE-YQVWRLOYSA-N 1 1 388.512 2.012 20 0 GEADMO O=S(=O)(CC[N@@H+](CCO)C1CCOCC1)c1cc(Cl)ccc1Cl ZINC000444769819 649952503 /nfs/dbraw/zinc/95/25/03/649952503.db2.gz JTQZLMLGTBBYPA-UHFFFAOYSA-N 1 1 382.309 2.240 20 0 GEADMO O=S(=O)(CC[N@H+](CCO)C1CCOCC1)c1cc(Cl)ccc1Cl ZINC000444769819 649952507 /nfs/dbraw/zinc/95/25/07/649952507.db2.gz JTQZLMLGTBBYPA-UHFFFAOYSA-N 1 1 382.309 2.240 20 0 GEADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000833622042 605135428 /nfs/dbraw/zinc/13/54/28/605135428.db2.gz DRSIYEWRRYVGQR-JKSUJKDBSA-N 1 1 394.541 2.075 20 0 GEADMO C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000183933797 605205703 /nfs/dbraw/zinc/20/57/03/605205703.db2.gz UTRHWBSGSDAARH-ROUUACIJSA-N 1 1 375.513 2.254 20 0 GEADMO O=C([O-])N1CCC([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccc(F)cc2)CC1 ZINC000834072710 605982546 /nfs/dbraw/zinc/98/25/46/605982546.db2.gz DEAMTGNLYVSSEN-MOPGFXCFSA-N 1 1 379.476 2.303 20 0 GEADMO Cc1cc(N2CCC(Nc3ncc(-c4nn[nH]n4)cc3Cl)CC2)nc(C)[nH+]1 ZINC000822207030 606102643 /nfs/dbraw/zinc/10/26/43/606102643.db2.gz IQPAPUXJKGURTH-UHFFFAOYSA-N 1 1 385.863 2.403 20 0 GEADMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820643292 606112794 /nfs/dbraw/zinc/11/27/94/606112794.db2.gz TYWYLOWMJCBBIL-NIKGAXFTSA-N 1 1 376.464 2.346 20 0 GEADMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822991427 606116403 /nfs/dbraw/zinc/11/64/03/606116403.db2.gz CIVVLOHCHQYTSO-GASCZTMLSA-N 1 1 392.467 2.113 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[C@@H](C)C1 ZINC000821254984 606184731 /nfs/dbraw/zinc/18/47/31/606184731.db2.gz RCGYQUSOLGREPR-BBRMVZONSA-N 1 1 382.472 2.079 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997953 606186289 /nfs/dbraw/zinc/18/62/89/606186289.db2.gz XXFRQQZEKULISY-CVEARBPZSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997953 606186290 /nfs/dbraw/zinc/18/62/90/606186290.db2.gz XXFRQQZEKULISY-CVEARBPZSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997961 606186356 /nfs/dbraw/zinc/18/63/56/606186356.db2.gz XXFRQQZEKULISY-JKSUJKDBSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822997961 606186357 /nfs/dbraw/zinc/18/63/57/606186357.db2.gz XXFRQQZEKULISY-JKSUJKDBSA-N 1 1 398.492 2.455 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821197876 606191365 /nfs/dbraw/zinc/19/13/65/606191365.db2.gz MVCAKXMJOMUYEI-CQSZACIVSA-N 1 1 398.433 2.452 20 0 GEADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820708993 606256717 /nfs/dbraw/zinc/25/67/17/606256717.db2.gz BMZHWGAXBFVMIW-AWEZNQCLSA-N 1 1 379.468 2.357 20 0 GEADMO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000823460157 606298786 /nfs/dbraw/zinc/29/87/86/606298786.db2.gz JGYKGWQYEIQSNP-NRFANRHFSA-N 1 1 391.479 2.323 20 0 GEADMO C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821604847 606316709 /nfs/dbraw/zinc/31/67/09/606316709.db2.gz JRXACCIFXGTTCL-OAHLLOKOSA-N 1 1 386.456 2.347 20 0 GEADMO COc1ccccc1CC[N@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821891246 606321671 /nfs/dbraw/zinc/32/16/71/606321671.db2.gz YEGQISBWDQSWTD-OAHLLOKOSA-N 1 1 398.492 2.217 20 0 GEADMO COc1ccccc1CC[N@@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821891246 606321674 /nfs/dbraw/zinc/32/16/74/606321674.db2.gz YEGQISBWDQSWTD-OAHLLOKOSA-N 1 1 398.492 2.217 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000820 606334219 /nfs/dbraw/zinc/33/42/19/606334219.db2.gz JZRCDLDUCQCHQO-MSOLQXFVSA-N 1 1 383.500 2.144 20 0 GEADMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820643649 606335886 /nfs/dbraw/zinc/33/58/86/606335886.db2.gz YAMDTUNCTJFVDY-HNAYVOBHSA-N 1 1 376.464 2.361 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[N@@H+](C)CC(C)(C)O ZINC000819876647 606374932 /nfs/dbraw/zinc/37/49/32/606374932.db2.gz ICQFTEUAJCYFBQ-NSHDSACASA-N 1 1 392.529 2.227 20 0 GEADMO CC1(C)C(=O)N(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1(C)C ZINC000820577159 606434280 /nfs/dbraw/zinc/43/42/80/606434280.db2.gz LWHGKVLLWCXYII-UHFFFAOYSA-N 1 1 384.484 2.314 20 0 GEADMO CCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820962606 606443087 /nfs/dbraw/zinc/44/30/87/606443087.db2.gz VMDXMUMRDAPXMR-UHFFFAOYSA-N 1 1 383.500 2.274 20 0 GEADMO O[C@@H](CNc1ccc(Cl)cc1-c1nn[nH]n1)C[N@H+]1CCc2ccccc2C1 ZINC000823689180 606450860 /nfs/dbraw/zinc/45/08/60/606450860.db2.gz CKUFARJNYUTMSK-INIZCTEOSA-N 1 1 384.871 2.351 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000821701667 606452315 /nfs/dbraw/zinc/45/23/15/606452315.db2.gz YAYSYRRTUZSQEW-LPHOPBHVSA-N 1 1 375.473 2.390 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000823713710 606469749 /nfs/dbraw/zinc/46/97/49/606469749.db2.gz INHWBMXHMFMEDA-GOEBONIOSA-N 1 1 399.886 2.210 20 0 GEADMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000822478426 606473083 /nfs/dbraw/zinc/47/30/83/606473083.db2.gz RUPDWLQIVCYEGW-LLVKDONJSA-N 1 1 378.362 2.454 20 0 GEADMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821114593 606487262 /nfs/dbraw/zinc/48/72/62/606487262.db2.gz YRVAONYTABPMGC-CQSZACIVSA-N 1 1 394.426 2.206 20 0 GEADMO CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)[N@H+]1CCc2ccccc2C1 ZINC000820908558 606508102 /nfs/dbraw/zinc/50/81/02/606508102.db2.gz NWCVSFLKGVIACZ-HNNXBMFYSA-N 1 1 382.493 2.495 20 0 GEADMO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000823087473 606522210 /nfs/dbraw/zinc/52/22/10/606522210.db2.gz QRVIQJIFNSYSNI-UHFFFAOYSA-N 1 1 376.464 2.144 20 0 GEADMO O=C(C[N@H+](CCc1ccccc1)[C@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993778 606526657 /nfs/dbraw/zinc/52/66/57/606526657.db2.gz YAKYYNUTGASYCZ-IBGZPJMESA-N 1 1 392.463 2.139 20 0 GEADMO O=C(C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993778 606526659 /nfs/dbraw/zinc/52/66/59/606526659.db2.gz YAKYYNUTGASYCZ-IBGZPJMESA-N 1 1 392.463 2.139 20 0 GEADMO CCCCCC[N@@H+](C)CC(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821056147 606594239 /nfs/dbraw/zinc/59/42/39/606594239.db2.gz MKRSZCPMTJFTSP-UHFFFAOYSA-N 1 1 399.543 2.464 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821572110 606616311 /nfs/dbraw/zinc/61/63/11/606616311.db2.gz RUKWCEBHDUXNGY-AWEZNQCLSA-N 1 1 376.436 2.447 20 0 GEADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155640 606663968 /nfs/dbraw/zinc/66/39/68/606663968.db2.gz VQAVUFJYZMHDMG-AWEZNQCLSA-N 1 1 384.390 2.149 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002217 606685611 /nfs/dbraw/zinc/68/56/11/606685611.db2.gz VBSFOBUPEOPYKW-CHWSQXEVSA-N 1 1 376.411 2.234 20 0 GEADMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000821242802 606692199 /nfs/dbraw/zinc/69/21/99/606692199.db2.gz WBKFGILPUWACDB-CJNGLKHVSA-N 1 1 396.451 2.109 20 0 GEADMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000821601337 606700396 /nfs/dbraw/zinc/70/03/96/606700396.db2.gz BVRHHSVBIHPGOZ-UHFFFAOYSA-N 1 1 397.418 2.031 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992662 606717023 /nfs/dbraw/zinc/71/70/23/606717023.db2.gz LOFZNNFTHWPDEF-KRWDZBQOSA-N 1 1 380.427 2.112 20 0 GEADMO C[N@@H+](CCOCC1CC1)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821603519 606720231 /nfs/dbraw/zinc/72/02/31/606720231.db2.gz BQCHLDCBDWIVQP-UHFFFAOYSA-N 1 1 378.864 2.207 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820926858 606726139 /nfs/dbraw/zinc/72/61/39/606726139.db2.gz WRVWTTTVADPMEE-ROUUACIJSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820926858 606726140 /nfs/dbraw/zinc/72/61/40/606726140.db2.gz WRVWTTTVADPMEE-ROUUACIJSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820925351 606726190 /nfs/dbraw/zinc/72/61/90/606726190.db2.gz HRFIRTRCAMRRNJ-HKUYNNGSSA-N 1 1 379.468 2.353 20 0 GEADMO CC[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820925351 606726191 /nfs/dbraw/zinc/72/61/91/606726191.db2.gz HRFIRTRCAMRRNJ-HKUYNNGSSA-N 1 1 379.468 2.353 20 0 GEADMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821241864 606731351 /nfs/dbraw/zinc/73/13/51/606731351.db2.gz PJPAHMWFWGELEJ-RNCFNFMXSA-N 1 1 375.839 2.381 20 0 GEADMO O=C(CC[N@@H+]1CCO[C@H](c2cccs2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968934 606755793 /nfs/dbraw/zinc/75/57/93/606755793.db2.gz FCFSYLJPYVXLFS-HNNXBMFYSA-N 1 1 384.465 2.330 20 0 GEADMO O=C(CC[N@H+]1CCO[C@H](c2cccs2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968934 606755795 /nfs/dbraw/zinc/75/57/95/606755795.db2.gz FCFSYLJPYVXLFS-HNNXBMFYSA-N 1 1 384.465 2.330 20 0 GEADMO COc1ccccc1N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000821897467 606765262 /nfs/dbraw/zinc/76/52/62/606765262.db2.gz HZDKDRWMPUTFQQ-QGZVFWFLSA-N 1 1 378.436 2.113 20 0 GEADMO COc1ccccc1N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000821897467 606765263 /nfs/dbraw/zinc/76/52/63/606765263.db2.gz HZDKDRWMPUTFQQ-QGZVFWFLSA-N 1 1 378.436 2.113 20 0 GEADMO C[N@H+](CCOCc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821603868 606776014 /nfs/dbraw/zinc/77/60/14/606776014.db2.gz SAFPIWIKWDKMPA-LJQANCHMSA-N 1 1 392.463 2.121 20 0 GEADMO C[N@@H+](CCOCc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821603868 606776015 /nfs/dbraw/zinc/77/60/15/606776015.db2.gz SAFPIWIKWDKMPA-LJQANCHMSA-N 1 1 392.463 2.121 20 0 GEADMO Cc1cccc2c(NC[C@@H]3CCN(CC(F)(F)F)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334840 606798396 /nfs/dbraw/zinc/79/83/96/606798396.db2.gz HQTWUBSZDPJFJS-LBPRGKRZSA-N 1 1 391.401 2.441 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000820033345 606814787 /nfs/dbraw/zinc/81/47/87/606814787.db2.gz 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CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000456882205 650365460 /nfs/dbraw/zinc/36/54/60/650365460.db2.gz ONJLTGIOFFWEFZ-UHFFFAOYSA-N 1 1 399.333 2.004 20 0 GEADMO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000500288020 650374532 /nfs/dbraw/zinc/37/45/32/650374532.db2.gz LMIXPMYKWYBFQJ-CQSZACIVSA-N 1 1 385.295 2.274 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(Cl)c(Cl)c1 ZINC000457400614 650377588 /nfs/dbraw/zinc/37/75/88/650377588.db2.gz LHOATYOCVYNFAY-UHFFFAOYSA-N 1 1 376.284 2.394 20 0 GEADMO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C(C)(C)C1 ZINC000500487021 650379302 /nfs/dbraw/zinc/37/93/02/650379302.db2.gz OJJXPUPBEAXBHU-ZDUSSCGKSA-N 1 1 394.313 2.355 20 0 GEADMO O=C(NCCc1ccc(Br)s1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457568429 650381154 /nfs/dbraw/zinc/38/11/54/650381154.db2.gz HRPWJTMWPFQWBL-LBPRGKRZSA-N 1 1 390.347 2.199 20 0 GEADMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Br)co1 ZINC000457646644 650382008 /nfs/dbraw/zinc/38/20/08/650382008.db2.gz 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C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000457956142 650390311 /nfs/dbraw/zinc/39/03/11/650390311.db2.gz TUDMZPGGDMDHIM-LRDDRELGSA-N 1 1 382.302 2.144 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000457958418 650390748 /nfs/dbraw/zinc/39/07/48/650390748.db2.gz WEEHZNSKMFKAQX-JSGCOSHPSA-N 1 1 377.432 2.061 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000457958418 650390751 /nfs/dbraw/zinc/39/07/51/650390751.db2.gz WEEHZNSKMFKAQX-JSGCOSHPSA-N 1 1 377.432 2.061 20 0 GEADMO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000458004745 650392069 /nfs/dbraw/zinc/39/20/69/650392069.db2.gz DSLIJNBSMYYVBD-GDBMZVCRSA-N 1 1 398.345 2.302 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458367298 650401158 /nfs/dbraw/zinc/40/11/58/650401158.db2.gz CWQYSNPWSGXXSF-OKILXGFUSA-N 1 1 384.318 2.354 20 0 GEADMO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000458545795 650405029 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GEADMO CCOc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000459335738 650422809 /nfs/dbraw/zinc/42/28/09/650422809.db2.gz CDWUBFKGIKBEHN-NSHDSACASA-N 1 1 392.315 2.420 20 0 GEADMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000459335738 650422810 /nfs/dbraw/zinc/42/28/10/650422810.db2.gz CDWUBFKGIKBEHN-NSHDSACASA-N 1 1 392.315 2.420 20 0 GEADMO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504075765 650427298 /nfs/dbraw/zinc/42/72/98/650427298.db2.gz FQUGONWIIFKJEZ-OAGGEKHMSA-N 1 1 382.302 2.409 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000459617107 650429189 /nfs/dbraw/zinc/42/91/89/650429189.db2.gz JBSUBTAMQNRWLP-UHFFFAOYSA-N 1 1 386.338 2.500 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000459617107 650429191 /nfs/dbraw/zinc/42/91/91/650429191.db2.gz JBSUBTAMQNRWLP-UHFFFAOYSA-N 1 1 386.338 2.500 20 0 GEADMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459549009 650428491 /nfs/dbraw/zinc/42/84/91/650428491.db2.gz ZXTDOBXSJOGSMV-KRWDZBQOSA-N 1 1 383.286 2.104 20 0 GEADMO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459549009 650428492 /nfs/dbraw/zinc/42/84/92/650428492.db2.gz ZXTDOBXSJOGSMV-KRWDZBQOSA-N 1 1 383.286 2.104 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C[C@H](C)[N@H+]1C ZINC000460024671 650438246 /nfs/dbraw/zinc/43/82/46/650438246.db2.gz DREZXFFHXOYUHQ-PHIMTYICSA-N 1 1 388.331 2.020 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C[C@H](C)[N@@H+]1C ZINC000460024671 650438247 /nfs/dbraw/zinc/43/82/47/650438247.db2.gz DREZXFFHXOYUHQ-PHIMTYICSA-N 1 1 388.331 2.020 20 0 GEADMO Cc1nn2c(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 ZINC000506059633 650443036 /nfs/dbraw/zinc/44/30/36/650443036.db2.gz LDDPTUNJSPCJNX-NSHDSACASA-N 1 1 379.511 2.248 20 0 GEADMO Cc1nn2c(C[N@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 ZINC000506059633 650443038 /nfs/dbraw/zinc/44/30/38/650443038.db2.gz LDDPTUNJSPCJNX-NSHDSACASA-N 1 1 379.511 2.248 20 0 GEADMO CC(C)[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[NH+]1CCOCC1 ZINC000506115455 650443444 /nfs/dbraw/zinc/44/34/44/650443444.db2.gz IJDXSNFLUUGZQK-HNNXBMFYSA-N 1 1 395.301 2.183 20 0 GEADMO COc1ccc(Br)cc1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000460791528 650445886 /nfs/dbraw/zinc/44/58/86/650445886.db2.gz HBOOAWORZWZEPY-MRXNPFEDSA-N 1 1 399.329 2.473 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000461620353 650457280 /nfs/dbraw/zinc/45/72/80/650457280.db2.gz PNDWOROGKWUUDB-CQSZACIVSA-N 1 1 389.949 2.197 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000507301674 650458435 /nfs/dbraw/zinc/45/84/35/650458435.db2.gz KWEXDEJJTPYEHP-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000507301674 650458437 /nfs/dbraw/zinc/45/84/37/650458437.db2.gz KWEXDEJJTPYEHP-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000507340819 650459245 /nfs/dbraw/zinc/45/92/45/650459245.db2.gz VBNDKDVAJIIOAA-SNVBAGLBSA-N 1 1 375.803 2.433 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000507340819 650459247 /nfs/dbraw/zinc/45/92/47/650459247.db2.gz VBNDKDVAJIIOAA-SNVBAGLBSA-N 1 1 375.803 2.433 20 0 GEADMO Cc1cc(CNC(=O)N2CCC[N@H+](C)CC2)ccc1I ZINC000462037974 650464887 /nfs/dbraw/zinc/46/48/87/650464887.db2.gz SWQPBJOVSADQMW-UHFFFAOYSA-N 1 1 387.265 2.447 20 0 GEADMO C[C@H]1[C@@H](NS(=O)(=O)CCc2ccccc2Br)CCC[N@H+]1C ZINC000462060257 650465438 /nfs/dbraw/zinc/46/54/38/650465438.db2.gz QBQABONXSFXPHV-WFASDCNBSA-N 1 1 375.332 2.394 20 0 GEADMO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000462081613 650466182 /nfs/dbraw/zinc/46/61/82/650466182.db2.gz DBUDCJDBWIILBK-LBPRGKRZSA-N 1 1 399.285 2.076 20 0 GEADMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462145911 650470958 /nfs/dbraw/zinc/47/09/58/650470958.db2.gz IQULOCWKSJAWOE-LLVKDONJSA-N 1 1 377.279 2.445 20 0 GEADMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462145911 650470959 /nfs/dbraw/zinc/47/09/59/650470959.db2.gz IQULOCWKSJAWOE-LLVKDONJSA-N 1 1 377.279 2.445 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462279471 650473535 /nfs/dbraw/zinc/47/35/35/650473535.db2.gz KUBCSRRUYDWAPU-TXEJJXNPSA-N 1 1 376.320 2.385 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C ZINC000462333440 650475879 /nfs/dbraw/zinc/47/58/79/650475879.db2.gz HCWUIFREXWMERB-WCQYABFASA-N 1 1 376.320 2.337 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340750 650479289 /nfs/dbraw/zinc/47/92/89/650479289.db2.gz RSZZARURIJINGL-ZIAGYGMSSA-N 1 1 396.329 2.416 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000508340747 650479309 /nfs/dbraw/zinc/47/93/09/650479309.db2.gz RSZZARURIJINGL-KGLIPLIRSA-N 1 1 396.329 2.416 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC000462539270 650483244 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648081655 /nfs/dbraw/zinc/08/16/55/648081655.db2.gz AOOBJCKHRJZUNY-SNVBAGLBSA-N 1 1 376.787 2.118 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC[N@H+](C)C1 ZINC000413898115 648082502 /nfs/dbraw/zinc/08/25/02/648082502.db2.gz BEWRNDXLJUZOGT-JTQLQIEISA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC[N@@H+](C)C1 ZINC000413898115 648082507 /nfs/dbraw/zinc/08/25/07/648082507.db2.gz BEWRNDXLJUZOGT-JTQLQIEISA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC[N@@H+](C)C1 ZINC000413896884 648082539 /nfs/dbraw/zinc/08/25/39/648082539.db2.gz GVGXCGLOJGFWAT-HIFRSBDPSA-N 1 1 397.313 2.191 20 0 GEADMO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415605579 648110367 /nfs/dbraw/zinc/11/03/67/648110367.db2.gz HKUOYOYBIXNJIP-UHFFFAOYSA-N 1 1 378.217 2.221 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416410986 648116857 /nfs/dbraw/zinc/11/68/57/648116857.db2.gz HUNAIRWLYXQCJA-GFCCVEGCSA-N 1 1 376.906 2.320 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416564611 648173035 /nfs/dbraw/zinc/17/30/35/648173035.db2.gz RQBAJLMDJWUXNI-GFCCVEGCSA-N 1 1 391.331 2.468 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CC[N@@H+](C)C1 ZINC000416770752 648211693 /nfs/dbraw/zinc/21/16/93/648211693.db2.gz PCVFXZLFJXDUMO-GFCCVEGCSA-N 1 1 384.274 2.326 20 0 GEADMO CN(CC(C)(C)C[NH3+])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417721165 648258977 /nfs/dbraw/zinc/25/89/77/648258977.db2.gz FPMWFVBMEGQHCX-UHFFFAOYSA-N 1 1 395.305 2.361 20 0 GEADMO CN(CC(C)(C)C[NH3+])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417721165 648258982 /nfs/dbraw/zinc/25/89/82/648258982.db2.gz FPMWFVBMEGQHCX-UHFFFAOYSA-N 1 1 395.305 2.361 20 0 GEADMO C[NH2+][C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417739697 648260951 /nfs/dbraw/zinc/26/09/51/648260951.db2.gz WZGNWJFLSDSUPU-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO C[NH2+][C@H]1CCCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417739697 648260953 /nfs/dbraw/zinc/26/09/53/648260953.db2.gz WZGNWJFLSDSUPU-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO COC1(CO)CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000418030806 648272834 /nfs/dbraw/zinc/27/28/34/648272834.db2.gz KBBSIZUEOWBXPH-UHFFFAOYSA-N 1 1 379.213 2.404 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000418107001 648280456 /nfs/dbraw/zinc/28/04/56/648280456.db2.gz CYLXBKKHVZTXNQ-QWHCGFSZSA-N 1 1 385.302 2.107 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418529054 648300108 /nfs/dbraw/zinc/30/01/08/648300108.db2.gz XBRLKZLLZODIJA-UHFFFAOYSA-N 1 1 395.237 2.055 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418524355 648300145 /nfs/dbraw/zinc/30/01/45/648300145.db2.gz MVURBLWXOCFSQS-SNVBAGLBSA-N 1 1 375.725 2.285 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000419326423 648346961 /nfs/dbraw/zinc/34/69/61/648346961.db2.gz CEXZCBJIYZLEGQ-QWHCGFSZSA-N 1 1 380.539 2.197 20 0 GEADMO 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GEADMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000582010780 652431643 /nfs/dbraw/zinc/43/16/43/652431643.db2.gz CONSJDBXHCXRRF-ZDUSSCGKSA-N 1 1 380.842 2.188 20 0 GEADMO COC[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc(OC)c1 ZINC000661470888 652432405 /nfs/dbraw/zinc/43/24/05/652432405.db2.gz RSNRPVSBKUMWDE-QGZVFWFLSA-N 1 1 384.885 2.473 20 0 GEADMO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC000627583443 652433689 /nfs/dbraw/zinc/43/36/89/652433689.db2.gz VQTWXVNGJYAGGI-GXFFZTMASA-N 1 1 398.326 2.272 20 0 GEADMO O=C1[C@@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000661600860 652434573 /nfs/dbraw/zinc/43/45/73/652434573.db2.gz KHKCRVRFKQNIEV-KCXAZCMYSA-N 1 1 392.297 2.155 20 0 GEADMO O=C1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]2N1 ZINC000661606905 652435257 /nfs/dbraw/zinc/43/52/57/652435257.db2.gz XUFMZMQQTIABPS-ZJUUUORDSA-N 1 1 381.230 2.193 20 0 GEADMO O=C1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]2N1 ZINC000661606905 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20 0 GEADMO [NH3+][C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1Br ZINC000662362268 652457527 /nfs/dbraw/zinc/45/75/27/652457527.db2.gz PPDFIIQCRGHEMO-INIZCTEOSA-N 1 1 394.313 2.310 20 0 GEADMO O=C(NCc1nnc2n1CCCCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662365451 652457557 /nfs/dbraw/zinc/45/75/57/652457557.db2.gz RCCVQOPHIPTHTD-UHFFFAOYSA-N 1 1 396.314 2.362 20 0 GEADMO [NH3+][C@@H](C(=O)NCCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000662365627 652457608 /nfs/dbraw/zinc/45/76/08/652457608.db2.gz VHGIQTLDTBEYMG-MRXNPFEDSA-N 1 1 392.301 2.126 20 0 GEADMO O=C(NC[C@H](CO)Cc1ccco1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662380193 652457983 /nfs/dbraw/zinc/45/79/83/652457983.db2.gz WXLFTWCGVXUNGR-SECBINFHSA-N 1 1 385.283 2.288 20 0 GEADMO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662378630 652458002 /nfs/dbraw/zinc/45/80/02/652458002.db2.gz CZNZNWISDNRWNB-CQSZACIVSA-N 1 1 382.302 2.166 20 0 GEADMO CC(C)C(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662389312 652458725 /nfs/dbraw/zinc/45/87/25/652458725.db2.gz WMNMRBJNSNQUTC-HNNXBMFYSA-N 1 1 382.302 2.212 20 0 GEADMO CC(=O)NC[C@@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419849 652460268 /nfs/dbraw/zinc/46/02/68/652460268.db2.gz OVTZVVFGSLVXSE-JTQLQIEISA-N 1 1 386.315 2.102 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000662455922 652461784 /nfs/dbraw/zinc/46/17/84/652461784.db2.gz SQTVYDLHXYCJSJ-SNVBAGLBSA-N 1 1 398.326 2.341 20 0 GEADMO CN(CC(=O)NCc1cccs1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662460802 652461973 /nfs/dbraw/zinc/46/19/73/652461973.db2.gz LLHDBGBYSCWLFO-OAHLLOKOSA-N 1 1 396.310 2.285 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662457883 652462016 /nfs/dbraw/zinc/46/20/16/652462016.db2.gz DNAMXFFIFCWWRK-MRVPVSSYSA-N 1 1 395.344 2.009 20 0 GEADMO CN(C)C(=O)C1(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CCCC1 ZINC000662458862 652462162 /nfs/dbraw/zinc/46/21/62/652462162.db2.gz SJUDCCAGLYXFKK-CQSZACIVSA-N 1 1 382.302 2.214 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnn2c1OCCC2)c1ccsc1 ZINC000582817887 652462827 /nfs/dbraw/zinc/46/28/27/652462827.db2.gz PCIVCQQCNNZONW-CQSZACIVSA-N 1 1 384.527 2.089 20 0 GEADMO COCCCOC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662470923 652463104 /nfs/dbraw/zinc/46/31/04/652463104.db2.gz DLFYSANNIKKFNK-INIZCTEOSA-N 1 1 385.302 2.493 20 0 GEADMO Cc1ccoc1C(=O)NCCCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662467607 652463108 /nfs/dbraw/zinc/46/31/08/652463108.db2.gz JIZKBYBNAFWRMI-CQSZACIVSA-N 1 1 394.269 2.287 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000662506476 652465253 /nfs/dbraw/zinc/46/52/53/652465253.db2.gz AJJZBQSYKHXZJI-SNVBAGLBSA-N 1 1 396.314 2.258 20 0 GEADMO COc1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC000582958929 652468452 /nfs/dbraw/zinc/46/84/52/652468452.db2.gz HSGXWKQYGRTVPA-UHFFFAOYSA-N 1 1 396.329 2.404 20 0 GEADMO CNc1cc(I)ccc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000582973700 652469192 /nfs/dbraw/zinc/46/91/92/652469192.db2.gz HHUJOECTJQIZQF-MNOVXSKESA-N 1 1 387.265 2.498 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000628755803 652470001 /nfs/dbraw/zinc/47/00/01/652470001.db2.gz XZDJJNBDVPYKIA-SNVBAGLBSA-N 1 1 381.274 2.493 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662784313 652474286 /nfs/dbraw/zinc/47/42/86/652474286.db2.gz OJMHVZCRFZRZQU-IJEWVQPXSA-N 1 1 386.265 2.082 20 0 GEADMO O=c1c(Br)nn(C[N@@H+]2CC[C@H](N3CCCC3)C2)c2ccccc12 ZINC000755734230 652474320 /nfs/dbraw/zinc/47/43/20/652474320.db2.gz SJYRSFMEISUSQI-ZDUSSCGKSA-N 1 1 377.286 2.287 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CC[C@H](N3CCCC3)C2)c2ccccc12 ZINC000755734230 652474324 /nfs/dbraw/zinc/47/43/24/652474324.db2.gz SJYRSFMEISUSQI-ZDUSSCGKSA-N 1 1 377.286 2.287 20 0 GEADMO C[C@H]1[C@@H](NC(=O)Cn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000583163874 652474752 /nfs/dbraw/zinc/47/47/52/652474752.db2.gz NRXIWGLZWIEFLQ-BBRMVZONSA-N 1 1 377.286 2.425 20 0 GEADMO 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Cc1cc(Br)c(CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000666638702 652581662 /nfs/dbraw/zinc/58/16/62/652581662.db2.gz JLZYPPVKEZNNLS-LBPRGKRZSA-N 1 1 390.347 2.465 20 0 GEADMO O=C(Nc1nc(-c2ccsc2)ns1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000666682668 652583024 /nfs/dbraw/zinc/58/30/24/652583024.db2.gz OBGTZZFXIJENAG-CYBMUJFWSA-N 1 1 379.511 2.330 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)COc2ccc(F)cc2Br)C1 ZINC000592101124 652585782 /nfs/dbraw/zinc/58/57/82/652585782.db2.gz WEMMZHOIKJMXSD-ZDUSSCGKSA-N 1 1 389.265 2.194 20 0 GEADMO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC000759818803 652587920 /nfs/dbraw/zinc/58/79/20/652587920.db2.gz YHIREYCDVUICES-UHFFFAOYSA-N 1 1 385.848 2.116 20 0 GEADMO COc1ccc(Br)cc1C1([NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC000592137606 652588539 /nfs/dbraw/zinc/58/85/39/652588539.db2.gz KEENEJXUVKAGSZ-UHFFFAOYSA-N 1 1 382.258 2.025 20 0 GEADMO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000633253703 652590087 /nfs/dbraw/zinc/59/00/87/652590087.db2.gz 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C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C[C@H](C)[N@@H+]1CCO ZINC000633320355 652593549 /nfs/dbraw/zinc/59/35/49/652593549.db2.gz QMQZKVMIYLISPD-RWKYPWFPSA-N 1 1 393.325 2.248 20 0 GEADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cc(CO)on1 ZINC000633443066 652597558 /nfs/dbraw/zinc/59/75/58/652597558.db2.gz OTQYHXRQVJMBBY-UHFFFAOYSA-N 1 1 394.269 2.324 20 0 GEADMO C[C@H](CNC(=O)c1cnn(C)c1Br)[N@@H+]1CCc2sccc2C1 ZINC000760178767 652597962 /nfs/dbraw/zinc/59/79/62/652597962.db2.gz VZOCAAXGFFASDX-SNVBAGLBSA-N 1 1 383.315 2.421 20 0 GEADMO C[C@H](CNC(=O)c1cnn(C)c1Br)[N@H+]1CCc2sccc2C1 ZINC000760178767 652597966 /nfs/dbraw/zinc/59/79/66/652597966.db2.gz VZOCAAXGFFASDX-SNVBAGLBSA-N 1 1 383.315 2.421 20 0 GEADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000592531290 652599233 /nfs/dbraw/zinc/59/92/33/652599233.db2.gz JRMCQVDHBNBTDY-UKRRQHHQSA-N 1 1 382.254 2.081 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1cnn(-c2ccccc2)c1Br ZINC000760267968 652601453 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CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835278159 654377243 /nfs/dbraw/zinc/37/72/43/654377243.db2.gz LRPXUHCGAXSJMO-OLZOCXBDSA-N 1 1 395.301 2.176 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000835371491 654384794 /nfs/dbraw/zinc/38/47/94/654384794.db2.gz JQKFTNFQEVXDCF-GFCCVEGCSA-N 1 1 395.301 2.034 20 0 GEADMO CC(C)O[C@]1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCOC1 ZINC000905861859 654385767 /nfs/dbraw/zinc/38/57/67/654385767.db2.gz KTMWFQNLRDAGAC-ZBFHGGJFSA-N 1 1 389.265 2.288 20 0 GEADMO CC[C@@](O)(CN1CC[N@H+](C[C@@](O)(CC)C(F)(F)F)C[C@H]1C)C(F)(F)F ZINC000905873981 654386503 /nfs/dbraw/zinc/38/65/03/654386503.db2.gz HRVHQDLBBSIMDB-FRRDWIJNSA-N 1 1 380.373 2.399 20 0 GEADMO CC[C@@](O)(CN1CC[N@@H+](C[C@@](O)(CC)C(F)(F)F)C[C@H]1C)C(F)(F)F ZINC000905873981 654386506 /nfs/dbraw/zinc/38/65/06/654386506.db2.gz HRVHQDLBBSIMDB-FRRDWIJNSA-N 1 1 380.373 2.399 20 0 GEADMO CC[C@@](O)(C[N@H+]1CCN(C[C@@](O)(CC)C(F)(F)F)C[C@H]1C)C(F)(F)F 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/nfs/dbraw/zinc/76/01/49/654760149.db2.gz AKJCNMOSWMPGIW-HNNXBMFYSA-N 1 1 382.302 2.006 20 0 GEADMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000912600544 654760624 /nfs/dbraw/zinc/76/06/24/654760624.db2.gz WULDGQQIXBKGJF-UHFFFAOYSA-N 1 1 384.318 2.045 20 0 GEADMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CCO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912608555 654760993 /nfs/dbraw/zinc/76/09/93/654760993.db2.gz UBIGZJNGFQEUEO-UHFFFAOYSA-N 1 1 385.295 2.484 20 0 GEADMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)no1 ZINC000931945197 654762118 /nfs/dbraw/zinc/76/21/18/654762118.db2.gz YIBPKNUBQPXTAD-NSHDSACASA-N 1 1 390.241 2.138 20 0 GEADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932001906 654763942 /nfs/dbraw/zinc/76/39/42/654763942.db2.gz RWNOEUMQIGHFCK-FZMZJTMJSA-N 1 1 390.249 2.023 20 0 GEADMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932077478 654765834 /nfs/dbraw/zinc/76/58/34/654765834.db2.gz FVUQRXLXLHVVJH-BXUZGUMPSA-N 1 1 381.416 2.423 20 0 GEADMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932077478 654765835 /nfs/dbraw/zinc/76/58/35/654765835.db2.gz FVUQRXLXLHVVJH-BXUZGUMPSA-N 1 1 381.416 2.423 20 0 GEADMO Cc1ccc2[nH]c(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2c1Br ZINC000932123479 654767377 /nfs/dbraw/zinc/76/73/77/654767377.db2.gz MZXDYNLXTJDZJT-LBPRGKRZSA-N 1 1 380.286 2.377 20 0 GEADMO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932211366 654770684 /nfs/dbraw/zinc/77/06/84/654770684.db2.gz YQPFDIFRKUTACC-OAHLLOKOSA-N 1 1 393.285 2.254 20 0 GEADMO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000932248738 654772231 /nfs/dbraw/zinc/77/22/31/654772231.db2.gz JJWAKNTVZYNVOJ-MRXNPFEDSA-N 1 1 381.318 2.145 20 0 GEADMO O=C(Nc1n[nH]cc1I)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912886588 654772727 /nfs/dbraw/zinc/77/27/27/654772727.db2.gz AWPAIWFGWHLSEL-GFCCVEGCSA-N 1 1 396.232 2.475 20 0 GEADMO NC(=O)[C@@](O)(C[N@H+]1CCC[C@@H]1c1cncc(Br)c1)c1ccccc1 ZINC000932253760 654772908 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O=C(NCc1ccnc(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000913078624 654781684 /nfs/dbraw/zinc/78/16/84/654781684.db2.gz DLQSRAGOPYUJFU-INIZCTEOSA-N 1 1 390.281 2.361 20 0 GEADMO O=C(NCc1ccnc(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913078624 654781687 /nfs/dbraw/zinc/78/16/87/654781687.db2.gz DLQSRAGOPYUJFU-INIZCTEOSA-N 1 1 390.281 2.361 20 0 GEADMO Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000932622076 654783800 /nfs/dbraw/zinc/78/38/00/654783800.db2.gz PNIYIMUNQRRFLZ-CYBMUJFWSA-N 1 1 381.318 2.051 20 0 GEADMO Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000932622076 654783801 /nfs/dbraw/zinc/78/38/01/654783801.db2.gz PNIYIMUNQRRFLZ-CYBMUJFWSA-N 1 1 381.318 2.051 20 0 GEADMO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cnc(C4OCCO4)s3)C2)s1 ZINC000932671303 654785209 /nfs/dbraw/zinc/78/52/09/654785209.db2.gz GSADKGDBKHWKSS-JTQLQIEISA-N 1 1 381.479 2.421 20 0 GEADMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cnc(C4OCCO4)s3)C2)s1 ZINC000932671303 654785212 /nfs/dbraw/zinc/78/52/12/654785212.db2.gz GSADKGDBKHWKSS-JTQLQIEISA-N 1 1 381.479 2.421 20 0 GEADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000913150702 654785415 /nfs/dbraw/zinc/78/54/15/654785415.db2.gz FGQLCVCQFOUNJN-OAHLLOKOSA-N 1 1 377.229 2.190 20 0 GEADMO COc1cc(Br)cc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000932691917 654785692 /nfs/dbraw/zinc/78/56/92/654785692.db2.gz TWGQIYOVOGCPDU-QGZVFWFLSA-N 1 1 398.345 2.460 20 0 GEADMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(I)cn3)C[C@@]2(C)C1 ZINC000913277367 654787588 /nfs/dbraw/zinc/78/75/88/654787588.db2.gz STNDJQFEJYRRGH-GASCZTMLSA-N 1 1 385.249 2.100 20 0 GEADMO C[C@@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)CS(C)(=O)=O ZINC000932811142 654791526 /nfs/dbraw/zinc/79/15/26/654791526.db2.gz ZVIRIONVDKTYQZ-BBRMVZONSA-N 1 1 390.343 2.413 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)CS(C)(=O)=O ZINC000932811142 654791528 /nfs/dbraw/zinc/79/15/28/654791528.db2.gz ZVIRIONVDKTYQZ-BBRMVZONSA-N 1 1 390.343 2.413 20 0 GEADMO Cc1cc(Br)c(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)s1 ZINC000913427310 654791634 /nfs/dbraw/zinc/79/16/34/654791634.db2.gz FRMKBJFCZKJZNO-NSHDSACASA-N 1 1 375.332 2.323 20 0 GEADMO O=S1(=O)CCC[C@H]1C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932815131 654791754 /nfs/dbraw/zinc/79/17/54/654791754.db2.gz MAQDFXXDZVOJSH-JKSUJKDBSA-N 1 1 388.327 2.310 20 0 GEADMO O=S1(=O)CCC[C@H]1C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932815131 654791757 /nfs/dbraw/zinc/79/17/57/654791757.db2.gz MAQDFXXDZVOJSH-JKSUJKDBSA-N 1 1 388.327 2.310 20 0 GEADMO C[N@@H+](C[C@H](O)CN1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792182 /nfs/dbraw/zinc/79/21/82/654792182.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 1 1 383.330 2.188 20 0 GEADMO CN(C[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792185 /nfs/dbraw/zinc/79/21/85/654792185.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 1 1 383.330 2.188 20 0 GEADMO CN(C[C@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792186 /nfs/dbraw/zinc/79/21/86/654792186.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 1 1 383.330 2.188 20 0 GEADMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000932919382 654794541 /nfs/dbraw/zinc/79/45/41/654794541.db2.gz PZGJCSVBTQAJFI-INIZCTEOSA-N 1 1 378.889 2.312 20 0 GEADMO CCn1c(Br)ncc1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000913478421 654794830 /nfs/dbraw/zinc/79/48/30/654794830.db2.gz HGCXCDLEAMYIBZ-ZDUSSCGKSA-N 1 1 379.258 2.158 20 0 GEADMO CCn1c(Br)ncc1C(=O)N1CC[NH2+][C@@H](c2ccc(OC)cc2)C1 ZINC000913481551 654795142 /nfs/dbraw/zinc/79/51/42/654795142.db2.gz ZIAYUVZQFVATJP-CQSZACIVSA-N 1 1 393.285 2.461 20 0 GEADMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932956091 654797577 /nfs/dbraw/zinc/79/75/77/654797577.db2.gz YQIPIHKFSCVRAB-CYBMUJFWSA-N 1 1 381.523 2.319 20 0 GEADMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932956091 654797579 /nfs/dbraw/zinc/79/75/79/654797579.db2.gz YQIPIHKFSCVRAB-CYBMUJFWSA-N 1 1 381.523 2.319 20 0 GEADMO C[C@@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000933036046 654800870 /nfs/dbraw/zinc/80/08/70/654800870.db2.gz JVBVVFLGIFZLRL-YGRLFVJLSA-N 1 1 386.279 2.205 20 0 GEADMO C[C@@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000933036534 654800887 /nfs/dbraw/zinc/80/08/87/654800887.db2.gz MFCPSYWJPQCEQV-YGRLFVJLSA-N 1 1 386.279 2.205 20 0 GEADMO O=S(=O)(C1CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1)N1CCCCC1 ZINC000933086562 654801674 /nfs/dbraw/zinc/80/16/74/654801674.db2.gz QSBQABLAGUJSKZ-DZGCQCFKSA-N 1 1 384.464 2.376 20 0 GEADMO Ic1cnn2c1C[N@H+](CCSc1ccncc1)CC2 ZINC000933109748 654802011 /nfs/dbraw/zinc/80/20/11/654802011.db2.gz GRXZIIJAJBZPOZ-UHFFFAOYSA-N 1 1 386.262 2.491 20 0 GEADMO Ic1cnn2c1C[N@@H+](CCSc1ccncc1)CC2 ZINC000933109748 654802012 /nfs/dbraw/zinc/80/20/12/654802012.db2.gz GRXZIIJAJBZPOZ-UHFFFAOYSA-N 1 1 386.262 2.491 20 0 GEADMO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC12CC[NH+](CC1)C2 ZINC000913629697 654802144 /nfs/dbraw/zinc/80/21/44/654802144.db2.gz 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C[C@H](C[NH+]1CCOCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000180475562 532273029 /nfs/dbraw/zinc/27/30/29/532273029.db2.gz RIGQWUZWVXDWJE-CQSZACIVSA-N 1 1 386.323 2.472 20 0 GEADMO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)sc1Br ZINC000135434428 532273885 /nfs/dbraw/zinc/27/38/85/532273885.db2.gz CHWRNYFCRACTEV-JTQLQIEISA-N 1 1 377.304 2.217 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCc2ccc(Br)cc2)cn1 ZINC000181372930 532296468 /nfs/dbraw/zinc/29/64/68/532296468.db2.gz OMLTUQYYWVRDJG-MRXNPFEDSA-N 1 1 377.286 2.288 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCc2cc(Br)cs2)cn1 ZINC000181396502 532297188 /nfs/dbraw/zinc/29/71/88/532297188.db2.gz MJAXYONQDUQJFN-CQSZACIVSA-N 1 1 383.315 2.350 20 0 GEADMO C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181468699 532299183 /nfs/dbraw/zinc/29/91/83/532299183.db2.gz GGTMJPPFNVHYIW-KGLIPLIRSA-N 1 1 396.329 2.380 20 0 GEADMO O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000181475131 532299441 /nfs/dbraw/zinc/29/94/41/532299441.db2.gz ZCLDDIYWFUOXOT-KRWDZBQOSA-N 1 1 380.897 2.385 20 0 GEADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000181581307 532302541 /nfs/dbraw/zinc/30/25/41/532302541.db2.gz UATGJTWJVZLICO-JTQLQIEISA-N 1 1 376.404 2.198 20 0 GEADMO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000181894433 532307331 /nfs/dbraw/zinc/30/73/31/532307331.db2.gz WGDUVWCEWIKNMB-INIZCTEOSA-N 1 1 385.302 2.227 20 0 GEADMO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000181894433 532307332 /nfs/dbraw/zinc/30/73/32/532307332.db2.gz WGDUVWCEWIKNMB-INIZCTEOSA-N 1 1 385.302 2.227 20 0 GEADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)c1 ZINC000181945335 532308149 /nfs/dbraw/zinc/30/81/49/532308149.db2.gz RPLJFCMGANYUMI-JTQLQIEISA-N 1 1 376.404 2.198 20 0 GEADMO COC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000183379960 532324934 /nfs/dbraw/zinc/32/49/34/532324934.db2.gz VVMUSBCPYDWLIM-DOMZBBRYSA-N 1 1 391.461 2.138 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cncc(Br)c1 ZINC000183424439 532325276 /nfs/dbraw/zinc/32/52/76/532325276.db2.gz SHFHNJGLBINBFS-KRWDZBQOSA-N 1 1 390.281 2.341 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cncc(Br)c1 ZINC000183424462 532325312 /nfs/dbraw/zinc/32/53/12/532325312.db2.gz SHFHNJGLBINBFS-QGZVFWFLSA-N 1 1 390.281 2.341 20 0 GEADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000182529964 532314732 /nfs/dbraw/zinc/31/47/32/532314732.db2.gz LXDFCEAHBCIGHF-GFCCVEGCSA-N 1 1 378.270 2.388 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182606437 532315514 /nfs/dbraw/zinc/31/55/14/532315514.db2.gz VYKHBXXJALMATA-GASCZTMLSA-N 1 1 395.345 2.475 20 0 GEADMO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cc2c(cc1Br)OCCO2 ZINC000182651889 532315911 /nfs/dbraw/zinc/31/59/11/532315911.db2.gz KUMFQRTXTHVXRS-QWRGUYRKSA-N 1 1 390.299 2.448 20 0 GEADMO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183029768 532320940 /nfs/dbraw/zinc/32/09/40/532320940.db2.gz BTXPHNSVJMMZLY-STQMWFEESA-N 1 1 386.539 2.466 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000183047926 532320947 /nfs/dbraw/zinc/32/09/47/532320947.db2.gz ZUFDOJFFTLXWHK-KDOFPFPSSA-N 1 1 381.519 2.202 20 0 GEADMO CSc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000185924684 532339083 /nfs/dbraw/zinc/33/90/83/532339083.db2.gz LUDGPIVOBCVCKS-GFCCVEGCSA-N 1 1 390.958 2.253 20 0 GEADMO CSc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000185924699 532339091 /nfs/dbraw/zinc/33/90/91/532339091.db2.gz LUDGPIVOBCVCKS-LBPRGKRZSA-N 1 1 390.958 2.253 20 0 GEADMO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186954172 532342763 /nfs/dbraw/zinc/34/27/63/532342763.db2.gz PDHZHVJOCAMAEG-UHFFFAOYSA-N 1 1 379.507 2.214 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186978822 532342775 /nfs/dbraw/zinc/34/27/75/532342775.db2.gz DBWPWQXMHBVBNT-CYBMUJFWSA-N 1 1 378.489 2.327 20 0 GEADMO COc1c(Br)cccc1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000187109807 532343325 /nfs/dbraw/zinc/34/33/25/532343325.db2.gz QBERIISNOJLMMJ-UHFFFAOYSA-N 1 1 391.331 2.314 20 0 GEADMO Cc1nc(C(F)(F)F)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000183607506 532326460 /nfs/dbraw/zinc/32/64/60/532326460.db2.gz CERWEXJPLVAIOG-LBPRGKRZSA-N 1 1 376.448 2.209 20 0 GEADMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000183666614 532327303 /nfs/dbraw/zinc/32/73/03/532327303.db2.gz HMYRICINXUEUAQ-LBPRGKRZSA-N 1 1 378.217 2.026 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000183931244 532330331 /nfs/dbraw/zinc/33/03/31/532330331.db2.gz FXXNUBQEOFHDLM-UHFFFAOYSA-N 1 1 380.901 2.325 20 0 GEADMO Cn1cc(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cn1 ZINC000184329269 532332106 /nfs/dbraw/zinc/33/21/06/532332106.db2.gz NTNWPQWACLZUHH-CQSZACIVSA-N 1 1 376.404 2.020 20 0 GEADMO COc1cc(Br)ccc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184393703 532332518 /nfs/dbraw/zinc/33/25/18/532332518.db2.gz USIJEVPSWFQMEO-ZDUSSCGKSA-N 1 1 384.318 2.214 20 0 GEADMO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184961318 532336222 /nfs/dbraw/zinc/33/62/22/532336222.db2.gz FAGWRHJEBGDOHG-INIZCTEOSA-N 1 1 378.897 2.306 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@@H+]1CC(C)(C)O ZINC000188693505 532349272 /nfs/dbraw/zinc/34/92/72/532349272.db2.gz DBBCMRAMWBJLMQ-LLVKDONJSA-N 1 1 382.555 2.341 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CC[N@H+]1CC(C)(C)O ZINC000188693505 532349273 /nfs/dbraw/zinc/34/92/73/532349273.db2.gz DBBCMRAMWBJLMQ-LLVKDONJSA-N 1 1 382.555 2.341 20 0 GEADMO C[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1CCO ZINC000188775136 532349508 /nfs/dbraw/zinc/34/95/08/532349508.db2.gz QPRWRBDLDQRRQJ-NSHDSACASA-N 1 1 391.693 2.006 20 0 GEADMO C[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1CCO ZINC000188775136 532349509 /nfs/dbraw/zinc/34/95/09/532349509.db2.gz QPRWRBDLDQRRQJ-NSHDSACASA-N 1 1 391.693 2.006 20 0 GEADMO C[C@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@H+]1CC(C)(C)O ZINC000188893016 532350036 /nfs/dbraw/zinc/35/00/36/532350036.db2.gz BDRUWRUCLGNYOO-ZDUSSCGKSA-N 1 1 381.318 2.374 20 0 GEADMO C[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)CC[N@@H+]1CCO ZINC000189226650 532351399 /nfs/dbraw/zinc/35/13/99/532351399.db2.gz MCBNLLQKROCCAU-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO C[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)CC[N@H+]1CCO ZINC000189226650 532351400 /nfs/dbraw/zinc/35/14/00/532351400.db2.gz MCBNLLQKROCCAU-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000189520488 532352556 /nfs/dbraw/zinc/35/25/56/532352556.db2.gz XSKXXNHDGKADEQ-AWEZNQCLSA-N 1 1 380.330 2.278 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[N@H+]1CC(C)(C)O ZINC000189886464 532353983 /nfs/dbraw/zinc/35/39/83/532353983.db2.gz BAHIUXAGUVODSV-ZDUSSCGKSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)Nc2ccsc2Cl)C[C@@H](C)O1 ZINC000189985174 532354358 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GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190496856 532356433 /nfs/dbraw/zinc/35/64/33/532356433.db2.gz SSMJXGJVXUEYQB-LLVKDONJSA-N 1 1 392.258 2.298 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000190635014 532357097 /nfs/dbraw/zinc/35/70/97/532357097.db2.gz AGBCDRRTJPJIEM-KGLIPLIRSA-N 1 1 390.933 2.374 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835564 532358135 /nfs/dbraw/zinc/35/81/35/532358135.db2.gz ZJIQPIWVWXZQIR-SECBINFHSA-N 1 1 390.228 2.266 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000190913775 532358722 /nfs/dbraw/zinc/35/87/22/532358722.db2.gz ZOJAHFTWBXHTKL-ZDUSSCGKSA-N 1 1 378.922 2.372 20 0 GEADMO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1(CO)CCOCC1 ZINC000190975511 532359043 /nfs/dbraw/zinc/35/90/43/532359043.db2.gz LNWJDROCZMXBCQ-UHFFFAOYSA-N 1 1 382.258 2.472 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000187617662 532344960 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Cc1ccccc1[C@@H](O)CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421285 599131482 /nfs/dbraw/zinc/13/14/82/599131482.db2.gz LYPKMRZLZJRFBS-NRFANRHFSA-N 1 1 392.507 2.416 20 0 GEADMO Cc1ccccc1[C@@H](O)CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421285 599131483 /nfs/dbraw/zinc/13/14/83/599131483.db2.gz LYPKMRZLZJRFBS-NRFANRHFSA-N 1 1 392.507 2.416 20 0 GEADMO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736802931 599133372 /nfs/dbraw/zinc/13/33/72/599133372.db2.gz YISQKFCRWQIVTG-GOSISDBHSA-N 1 1 394.435 2.203 20 0 GEADMO C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C ZINC000736231790 599135910 /nfs/dbraw/zinc/13/59/10/599135910.db2.gz XTAUFILVROBSLC-TZMCWYRMSA-N 1 1 391.907 2.263 20 0 GEADMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736351670 599145251 /nfs/dbraw/zinc/14/52/51/599145251.db2.gz QVLCKFZRADUUOY-IBGZPJMESA-N 1 1 378.480 2.436 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 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Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)CC3CCCCC3)CC2)[nH+]1 ZINC000737247063 598245210 /nfs/dbraw/zinc/24/52/10/598245210.db2.gz YMEUMLNAWUWOAX-UHFFFAOYSA-N 1 1 383.500 2.498 20 0 GEADMO Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c(-c2nn[nH]n2)c1C ZINC000737519243 598246461 /nfs/dbraw/zinc/24/64/61/598246461.db2.gz BWJYABUCEBLMPO-UHFFFAOYSA-N 1 1 378.484 2.374 20 0 GEADMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737149350 598247891 /nfs/dbraw/zinc/24/78/91/598247891.db2.gz GRKJRRSZVVXECA-UHFFFAOYSA-N 1 1 380.452 2.378 20 0 GEADMO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736450920 598248787 /nfs/dbraw/zinc/24/87/87/598248787.db2.gz IEVBQJTZTCEQQT-OAHLLOKOSA-N 1 1 386.500 2.405 20 0 GEADMO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424795 598255064 /nfs/dbraw/zinc/25/50/64/598255064.db2.gz XOUBDDVITJKNOT-GOSISDBHSA-N 1 1 376.464 2.281 20 0 GEADMO Fc1cccc(OCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737664743 598256918 /nfs/dbraw/zinc/25/69/18/598256918.db2.gz NRFHSVXTNHFCEX-UHFFFAOYSA-N 1 1 386.406 2.346 20 0 GEADMO C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259708 598257188 /nfs/dbraw/zinc/25/71/88/598257188.db2.gz GDVVGASSFMVTKG-QAPCUYQASA-N 1 1 383.500 2.273 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735635263 598257375 /nfs/dbraw/zinc/25/73/75/598257375.db2.gz AHDLRWWAZZRCHI-AWEZNQCLSA-N 1 1 388.472 2.092 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735881076 598329566 /nfs/dbraw/zinc/32/95/66/598329566.db2.gz GKVIEXHPMXBPDF-UHFFFAOYSA-N 1 1 396.451 2.205 20 0 GEADMO C[C@@H]1CCC[C@@H]([N@@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254569 598334262 /nfs/dbraw/zinc/33/42/62/598334262.db2.gz ZIRDGTSDGTWWBX-RHSMWYFYSA-N 1 1 397.483 2.099 20 0 GEADMO CCCC[N@@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)[C@H](C)CC ZINC000736457118 598334557 /nfs/dbraw/zinc/33/45/57/598334557.db2.gz 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CC(C)n1ccnc1CN1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000735964687 598365733 /nfs/dbraw/zinc/36/57/33/598365733.db2.gz FINVUTACKJONOR-UHFFFAOYSA-N 1 1 398.490 2.491 20 0 GEADMO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737258090 598367878 /nfs/dbraw/zinc/36/78/78/598367878.db2.gz YFZJZDIMBYXJHJ-SFHVURJKSA-N 1 1 394.483 2.173 20 0 GEADMO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737258090 598367880 /nfs/dbraw/zinc/36/78/80/598367880.db2.gz YFZJZDIMBYXJHJ-SFHVURJKSA-N 1 1 394.483 2.173 20 0 GEADMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473778 598368093 /nfs/dbraw/zinc/36/80/93/598368093.db2.gz GRFHKRFXLDHVKY-KRWDZBQOSA-N 1 1 396.499 2.256 20 0 GEADMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737508444 598368699 /nfs/dbraw/zinc/36/86/99/598368699.db2.gz BPPFYULNMAFGRV-QGZVFWFLSA-N 1 1 394.483 2.383 20 0 GEADMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 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GIPRUWHUECDCQG-DNVCBOLYSA-N 1 1 381.440 2.044 20 0 GEADMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696673 607075671 /nfs/dbraw/zinc/07/56/71/607075671.db2.gz GIPRUWHUECDCQG-HNAYVOBHSA-N 1 1 381.440 2.044 20 0 GEADMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000823696674 607075737 /nfs/dbraw/zinc/07/57/37/607075737.db2.gz GIPRUWHUECDCQG-KXBFYZLASA-N 1 1 381.440 2.044 20 0 GEADMO CC(C)(C)OC1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000819946749 607088410 /nfs/dbraw/zinc/08/84/10/607088410.db2.gz PALAVVZQHHCKNB-QGZVFWFLSA-N 1 1 384.484 2.252 20 0 GEADMO C[C@H]1OCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)[C@@H]1C ZINC000820818767 607103877 /nfs/dbraw/zinc/10/38/77/607103877.db2.gz BFPIRDUADXPRPO-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@H]1OCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)[C@@H]1C ZINC000820818767 607103878 /nfs/dbraw/zinc/10/38/78/607103878.db2.gz BFPIRDUADXPRPO-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 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c1cc2c(ncnc2N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)s1 ZINC000826526555 608514182 /nfs/dbraw/zinc/51/41/82/608514182.db2.gz CXPUZJWAENVTGI-UHFFFAOYSA-N 1 1 384.494 2.255 20 0 GEADMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826134133 608546258 /nfs/dbraw/zinc/54/62/58/608546258.db2.gz SOQURDCZEFWLIM-INIZCTEOSA-N 1 1 393.447 2.441 20 0 GEADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)n1 ZINC000826299082 608560380 /nfs/dbraw/zinc/56/03/80/608560380.db2.gz QIJOBACSTPZNDU-CYBMUJFWSA-N 1 1 383.481 2.482 20 0 GEADMO Cn1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826361259 608581301 /nfs/dbraw/zinc/58/13/01/608581301.db2.gz QYPCMURFWVJVNR-UHFFFAOYSA-N 1 1 394.527 2.216 20 0 GEADMO CN(CC[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000825946222 608583533 /nfs/dbraw/zinc/58/35/33/608583533.db2.gz OQSNGEMWCVQPTC-UHFFFAOYSA-N 1 1 376.461 2.044 20 0 GEADMO O=C1[C@@H]([NH+]2CCC(c3cccnc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476120 608583852 /nfs/dbraw/zinc/58/38/52/608583852.db2.gz BDTNQGFBCOJTDK-INIZCTEOSA-N 1 1 395.492 2.308 20 0 GEADMO Cn1nc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c2ccccc21 ZINC000826366094 608585020 /nfs/dbraw/zinc/58/50/20/608585020.db2.gz RVCPPCKCPKQXTM-UHFFFAOYSA-N 1 1 388.479 2.466 20 0 GEADMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000826179479 608587414 /nfs/dbraw/zinc/58/74/14/608587414.db2.gz PTNRICNHIVCXLE-KBXCAEBGSA-N 1 1 395.463 2.267 20 0 GEADMO Cn1cnc2cc(C[N@@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)ccc21 ZINC000826365366 608590319 /nfs/dbraw/zinc/59/03/19/608590319.db2.gz LGJHYWTZIXTKGF-IBGZPJMESA-N 1 1 375.436 2.327 20 0 GEADMO Cn1cnc2cc(C[N@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)ccc21 ZINC000826365366 608590321 /nfs/dbraw/zinc/59/03/21/608590321.db2.gz LGJHYWTZIXTKGF-IBGZPJMESA-N 1 1 375.436 2.327 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826453693 608591467 /nfs/dbraw/zinc/59/14/67/608591467.db2.gz VVLMZDVRLVQEBA-LLVKDONJSA-N 1 1 387.831 2.359 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826453693 608591468 /nfs/dbraw/zinc/59/14/68/608591468.db2.gz VVLMZDVRLVQEBA-LLVKDONJSA-N 1 1 387.831 2.359 20 0 GEADMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826454126 608601348 /nfs/dbraw/zinc/60/13/48/608601348.db2.gz KMNVJYGRCPBLNG-UHFFFAOYSA-N 1 1 385.403 2.385 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCc1ccncc1 ZINC000824045916 608640834 /nfs/dbraw/zinc/64/08/34/608640834.db2.gz PDJSNVLFLRYTES-GFCCVEGCSA-N 1 1 385.859 2.417 20 0 GEADMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826299596 608664285 /nfs/dbraw/zinc/66/42/85/608664285.db2.gz MCVBBPIOJRIBGP-HNNXBMFYSA-N 1 1 389.467 2.152 20 0 GEADMO C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688377 /nfs/dbraw/zinc/68/83/77/608688377.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 1 1 396.495 2.337 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688382 /nfs/dbraw/zinc/68/83/82/608688382.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 1 1 396.495 2.337 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[n-]n2)o1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000825961954 608688384 /nfs/dbraw/zinc/68/83/84/608688384.db2.gz PQKBKRMDTQVDSR-LJQANCHMSA-N 1 1 396.495 2.337 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824109825 608735265 /nfs/dbraw/zinc/73/52/65/608735265.db2.gz WQJULAYJOYXORA-AWEZNQCLSA-N 1 1 398.471 2.004 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824109825 608735267 /nfs/dbraw/zinc/73/52/67/608735267.db2.gz WQJULAYJOYXORA-AWEZNQCLSA-N 1 1 398.471 2.004 20 0 GEADMO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cc(-c3nn[nH]n3)cs1)C2 ZINC000826483632 608737504 /nfs/dbraw/zinc/73/75/04/608737504.db2.gz UMPWEAROOQQMPE-UHFFFAOYSA-N 1 1 382.449 2.443 20 0 GEADMO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc(-c3nn[nH]n3)cs1)C2 ZINC000826483632 608737505 /nfs/dbraw/zinc/73/75/05/608737505.db2.gz UMPWEAROOQQMPE-UHFFFAOYSA-N 1 1 382.449 2.443 20 0 GEADMO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000824329375 608815585 /nfs/dbraw/zinc/81/55/85/608815585.db2.gz NVECQCYGLRHTLC-DZGCQCFKSA-N 1 1 385.472 2.354 20 0 GEADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825506818 608846531 /nfs/dbraw/zinc/84/65/31/608846531.db2.gz NMPWYJACVBWQAN-AWEZNQCLSA-N 1 1 383.456 2.070 20 0 GEADMO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824000027 608852853 /nfs/dbraw/zinc/85/28/53/608852853.db2.gz RDLDIVKBJBCITN-IBGZPJMESA-N 1 1 378.436 2.399 20 0 GEADMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824000027 608852854 /nfs/dbraw/zinc/85/28/54/608852854.db2.gz RDLDIVKBJBCITN-IBGZPJMESA-N 1 1 378.436 2.399 20 0 GEADMO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825754507 608853499 /nfs/dbraw/zinc/85/34/99/608853499.db2.gz AKPSHARTBUGGAN-LJQANCHMSA-N 1 1 381.484 2.299 20 0 GEADMO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825754507 608853501 /nfs/dbraw/zinc/85/35/01/608853501.db2.gz AKPSHARTBUGGAN-LJQANCHMSA-N 1 1 381.484 2.299 20 0 GEADMO COc1c(C)c[nH+]c(CCCOC(=O)COc2cccc(-c3nn[nH]n3)c2)c1C ZINC000826167076 609159832 /nfs/dbraw/zinc/15/98/32/609159832.db2.gz OHFUDWGTWRGHMC-UHFFFAOYSA-N 1 1 397.435 2.442 20 0 GEADMO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000446405708 649979552 /nfs/dbraw/zinc/97/95/52/649979552.db2.gz MCBAAQBQHUJMPZ-NXEZZACHSA-N 1 1 384.221 2.167 20 0 GEADMO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000826398012 609209732 /nfs/dbraw/zinc/20/97/32/609209732.db2.gz OMVKITWSRGVWDD-LJQANCHMSA-N 1 1 398.511 2.015 20 0 GEADMO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826469059 609221689 /nfs/dbraw/zinc/22/16/89/609221689.db2.gz SNDPPABGPHAOMB-OAQYLSRUSA-N 1 1 391.479 2.323 20 0 GEADMO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826468927 609227607 /nfs/dbraw/zinc/22/76/07/609227607.db2.gz NHUTXFBFTCCXAK-APWZRJJASA-N 1 1 391.479 2.322 20 0 GEADMO CCC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000825254485 609232444 /nfs/dbraw/zinc/23/24/44/609232444.db2.gz SCIKXPFZDDQRQU-KRWDZBQOSA-N 1 1 379.468 2.322 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCO2 ZINC000825394663 609268536 /nfs/dbraw/zinc/26/85/36/609268536.db2.gz GLRSBTRARBNAMY-UHFFFAOYSA-N 1 1 380.408 2.056 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCO2 ZINC000825394663 609268537 /nfs/dbraw/zinc/26/85/37/609268537.db2.gz GLRSBTRARBNAMY-UHFFFAOYSA-N 1 1 380.408 2.056 20 0 GEADMO O[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506307 609282492 /nfs/dbraw/zinc/28/24/92/609282492.db2.gz RKTWSFOGRJDSPJ-FQEVSTJZSA-N 1 1 378.411 2.352 20 0 GEADMO C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824480095 609285151 /nfs/dbraw/zinc/28/51/51/609285151.db2.gz SVKMAHBVLBLAFU-GDBMZVCRSA-N 1 1 384.484 2.015 20 0 GEADMO C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498132 609298483 /nfs/dbraw/zinc/29/84/83/609298483.db2.gz CDHJTMVHBLHNRE-PBHICJAKSA-N 1 1 383.500 2.319 20 0 GEADMO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824477651 609315745 /nfs/dbraw/zinc/31/57/45/609315745.db2.gz BNDIIECHJHFCMK-HOCLYGCPSA-N 1 1 383.500 2.048 20 0 GEADMO Cc1cc(C)cc(-n2ncc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000826264232 609319988 /nfs/dbraw/zinc/31/99/88/609319988.db2.gz GQFXWZABCCPGAM-UHFFFAOYSA-N 1 1 390.451 2.233 20 0 GEADMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545073 609341079 /nfs/dbraw/zinc/34/10/79/609341079.db2.gz BEVVJPJTCRZYKY-FZKQIMNGSA-N 1 1 380.427 2.458 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000520 609361888 /nfs/dbraw/zinc/36/18/88/609361888.db2.gz RQLKILULJQGJIH-FZMZJTMJSA-N 1 1 377.290 2.298 20 0 GEADMO Cc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826297467 609364312 /nfs/dbraw/zinc/36/43/12/609364312.db2.gz JAWGFBJIXKJMNE-MRXNPFEDSA-N 1 1 378.484 2.108 20 0 GEADMO C[C@@H]1CC[C@]2(CC[N@H+]([C@@H]3CC(=O)N(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824915524 609367833 /nfs/dbraw/zinc/36/78/33/609367833.db2.gz FTUSHXLSHSEZIP-AUJRIZCKSA-N 1 1 380.452 2.011 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)C[C@H](C)O1 ZINC000824984726 609465074 /nfs/dbraw/zinc/46/50/74/609465074.db2.gz MZVGRUXSBGXJBL-BETUJISGSA-N 1 1 381.440 2.056 20 0 GEADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)C[C@H](C)O1 ZINC000824984726 609465076 /nfs/dbraw/zinc/46/50/76/609465076.db2.gz MZVGRUXSBGXJBL-BETUJISGSA-N 1 1 381.440 2.056 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000446501370 649982476 /nfs/dbraw/zinc/98/24/76/649982476.db2.gz KLWBTPXBWPBKSY-UHFFFAOYSA-N 1 1 394.313 2.431 20 0 GEADMO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521415 609595794 /nfs/dbraw/zinc/59/57/94/609595794.db2.gz LIKZEPDZZFJBFN-GVDBMIGSSA-N 1 1 376.468 2.369 20 0 GEADMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000447041567 649995719 /nfs/dbraw/zinc/99/57/19/649995719.db2.gz WSXQWFKURBSTJU-JTQLQIEISA-N 1 1 387.221 2.450 20 0 GEADMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000447041567 649995725 /nfs/dbraw/zinc/99/57/25/649995725.db2.gz WSXQWFKURBSTJU-JTQLQIEISA-N 1 1 387.221 2.450 20 0 GEADMO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1cc(OC)ccc1Br ZINC000447322187 650005274 /nfs/dbraw/zinc/00/52/74/650005274.db2.gz WRGBVEJQLFELSW-JSGCOSHPSA-N 1 1 376.291 2.302 20 0 GEADMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000447322187 650005276 /nfs/dbraw/zinc/00/52/76/650005276.db2.gz WRGBVEJQLFELSW-JSGCOSHPSA-N 1 1 376.291 2.302 20 0 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C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@H+]1CCCC[C@@H]1C ZINC000455839527 650321226 /nfs/dbraw/zinc/32/12/26/650321226.db2.gz HPFBNDUSRDUNIO-NWDGAFQWSA-N 1 1 395.305 2.876 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456217173 650334315 /nfs/dbraw/zinc/33/43/15/650334315.db2.gz WSFATKHUWGSIRG-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456217173 650334316 /nfs/dbraw/zinc/33/43/16/650334316.db2.gz WSFATKHUWGSIRG-MJBXVCDLSA-N 1 1 385.302 2.130 20 0 GEADMO Cn1cccc1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456550689 650348085 /nfs/dbraw/zinc/34/80/85/650348085.db2.gz AIJDPUPAZMNZLR-UHFFFAOYSA-N 1 1 378.274 2.187 20 0 GEADMO CCN1CC[NH+](CC(C)(C)NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000456876192 650365214 /nfs/dbraw/zinc/36/52/14/650365214.db2.gz GFBRIGGQORKBKZ-UHFFFAOYSA-N 1 1 398.345 2.230 20 0 GEADMO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000500288019 650374505 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Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000457885891 650388327 /nfs/dbraw/zinc/38/83/27/650388327.db2.gz VKEFXTBGOGMOAC-LBPRGKRZSA-N 1 1 384.249 2.061 20 0 GEADMO Cc1cc(S(=O)(=O)NCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000501810184 650397527 /nfs/dbraw/zinc/39/75/27/650397527.db2.gz YDPTXZAGMZPRQT-OAHLLOKOSA-N 1 1 387.571 2.024 20 0 GEADMO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1nc(C(F)(F)F)cs1 ZINC000458722280 650409178 /nfs/dbraw/zinc/40/91/78/650409178.db2.gz OEUZHVGMLJSBQC-WDEREUQCSA-N 1 1 380.436 2.369 20 0 GEADMO COC(=O)c1csc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000502198409 650403029 /nfs/dbraw/zinc/40/30/29/650403029.db2.gz WALYKSZNDAVMPW-AWEZNQCLSA-N 1 1 386.470 2.255 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000458469002 650404041 /nfs/dbraw/zinc/40/40/41/650404041.db2.gz FCWLSDHXOHMXNT-LLVKDONJSA-N 1 1 377.819 2.149 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000458469002 650404044 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O=S1(=O)CCC(O)(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000502694913 650410089 /nfs/dbraw/zinc/41/00/89/650410089.db2.gz UHGPNUNDOBTHBP-CYBMUJFWSA-N 1 1 375.893 2.426 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000458863368 650412759 /nfs/dbraw/zinc/41/27/59/650412759.db2.gz YMJMACOAABPXTN-LLVKDONJSA-N 1 1 376.270 2.263 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000458892766 650413505 /nfs/dbraw/zinc/41/35/05/650413505.db2.gz RTWPQXVITGCSRE-RYUDHWBXSA-N 1 1 388.281 2.357 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000503067473 650414110 /nfs/dbraw/zinc/41/41/10/650414110.db2.gz RTCPKNGGSUPWML-WFASDCNBSA-N 1 1 392.301 2.475 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000458965465 650416033 /nfs/dbraw/zinc/41/60/33/650416033.db2.gz GHIMBIDWFWNASD-HSWBROFVSA-N 1 1 382.302 2.170 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000458965465 650416036 /nfs/dbraw/zinc/41/60/36/650416036.db2.gz GHIMBIDWFWNASD-HSWBROFVSA-N 1 1 382.302 2.170 20 0 GEADMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000503511957 650418997 /nfs/dbraw/zinc/41/89/97/650418997.db2.gz RPQCMTJXNIGOOM-ZJUUUORDSA-N 1 1 375.803 2.466 20 0 GEADMO Cc1cc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000459190678 650420721 /nfs/dbraw/zinc/42/07/21/650420721.db2.gz XIVBPHRUULPTIN-UONOGXRCSA-N 1 1 384.318 2.354 20 0 GEADMO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000459217537 650421570 /nfs/dbraw/zinc/42/15/70/650421570.db2.gz PXQXBTLIOVFTFK-LLVKDONJSA-N 1 1 378.274 2.315 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459217537 650421571 /nfs/dbraw/zinc/42/15/71/650421571.db2.gz PXQXBTLIOVFTFK-LLVKDONJSA-N 1 1 378.274 2.315 20 0 GEADMO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000459217537 650421572 /nfs/dbraw/zinc/42/15/72/650421572.db2.gz PXQXBTLIOVFTFK-LLVKDONJSA-N 1 1 378.274 2.315 20 0 GEADMO O=C(C1CC[NH+](Cc2cccc(O)c2Br)CC1)N1CCOCC1 ZINC000459305143 650422076 /nfs/dbraw/zinc/42/20/76/650422076.db2.gz ZIAAWYNYDFMHKU-UHFFFAOYSA-N 1 1 383.286 2.226 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000504111644 650427538 /nfs/dbraw/zinc/42/75/38/650427538.db2.gz UNOCMQLIGBLKPU-DUVNUKRYSA-N 1 1 382.302 2.013 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)C[C@H]1C(=O)N1CCOCC1 ZINC000459535993 650427699 /nfs/dbraw/zinc/42/76/99/650427699.db2.gz ACZHVFXAXJHQNP-TZMCWYRMSA-N 1 1 383.286 2.081 20 0 GEADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000505587874 650439124 /nfs/dbraw/zinc/43/91/24/650439124.db2.gz TYXLPKLHLHHMIC-UHFFFAOYSA-N 1 1 379.766 2.042 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCn1cc(Br)ccc1=O ZINC000461262571 650451374 /nfs/dbraw/zinc/45/13/74/650451374.db2.gz KFGZXBCATFTBQS-HNNXBMFYSA-N 1 1 384.318 2.334 20 0 GEADMO C[N@@H+](CCCOc1cccc(I)c1)[C@]1(CO)CCOC1 ZINC000461378317 650453147 /nfs/dbraw/zinc/45/31/47/650453147.db2.gz JYILDCBSFHTFHZ-HNNXBMFYSA-N 1 1 391.249 2.143 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC000507321849 650458835 /nfs/dbraw/zinc/45/88/35/650458835.db2.gz FBWQNFVHVRYZDY-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC000507321849 650458837 /nfs/dbraw/zinc/45/88/37/650458837.db2.gz FBWQNFVHVRYZDY-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000461621321 650457316 /nfs/dbraw/zinc/45/73/16/650457316.db2.gz SPZYZSWFOOZPMT-CQSZACIVSA-N 1 1 389.949 2.245 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000461652467 650458453 /nfs/dbraw/zinc/45/84/53/650458453.db2.gz YPFCJGWVYSELGS-AWEZNQCLSA-N 1 1 389.949 2.245 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)[C@H](C)C1 ZINC000507395384 650459779 /nfs/dbraw/zinc/45/97/79/650459779.db2.gz ZPPLZZQMLMRYJI-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)[C@H](C)C1 ZINC000507395384 650459781 /nfs/dbraw/zinc/45/97/81/650459781.db2.gz ZPPLZZQMLMRYJI-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)[C@@H](C)C1 ZINC000507397119 650459855 /nfs/dbraw/zinc/45/98/55/650459855.db2.gz FLYATCYABMQBCA-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)[C@@H](C)C1 ZINC000507397119 650459857 /nfs/dbraw/zinc/45/98/57/650459857.db2.gz FLYATCYABMQBCA-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C1 ZINC000507422014 650460369 /nfs/dbraw/zinc/46/03/69/650460369.db2.gz OOZVAUCHWDRZQM-LBPRGKRZSA-N 1 1 394.313 2.429 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C1 ZINC000507422014 650460370 /nfs/dbraw/zinc/46/03/70/650460370.db2.gz OOZVAUCHWDRZQM-LBPRGKRZSA-N 1 1 394.313 2.429 20 0 GEADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000462008901 650463540 /nfs/dbraw/zinc/46/35/40/650463540.db2.gz KJDSYLRKVKVXLW-LSDHHAIUSA-N 1 1 377.243 2.363 20 0 GEADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000462008901 650463544 /nfs/dbraw/zinc/46/35/44/650463544.db2.gz KJDSYLRKVKVXLW-LSDHHAIUSA-N 1 1 377.243 2.363 20 0 GEADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)CCc1ccccc1Br ZINC000462087127 650466987 /nfs/dbraw/zinc/46/69/87/650466987.db2.gz ZMFVGSRCQAJGSO-CHWSQXEVSA-N 1 1 375.332 2.346 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)CCc1ccccc1Br ZINC000462087127 650466989 /nfs/dbraw/zinc/46/69/89/650466989.db2.gz ZMFVGSRCQAJGSO-CHWSQXEVSA-N 1 1 375.332 2.346 20 0 GEADMO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462113545 650469429 /nfs/dbraw/zinc/46/94/29/650469429.db2.gz STQKZESRVKAQRH-LBPRGKRZSA-N 1 1 399.285 2.028 20 0 GEADMO COCC[N@H+]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462113545 650469431 /nfs/dbraw/zinc/46/94/31/650469431.db2.gz STQKZESRVKAQRH-LBPRGKRZSA-N 1 1 399.285 2.028 20 0 GEADMO COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)c2ccsc2)c1 ZINC000508531363 650481806 /nfs/dbraw/zinc/48/18/06/650481806.db2.gz MVHHUXYKWDMAHH-UHFFFAOYSA-N 1 1 384.523 2.184 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@H+]1C ZINC000462501650 650482226 /nfs/dbraw/zinc/48/22/26/650482226.db2.gz LAAJEJUQECYVOL-RKDXNWHRSA-N 1 1 383.258 2.488 20 0 GEADMO O=S(=O)(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Br)cn1 ZINC000462586075 650485330 /nfs/dbraw/zinc/48/53/30/650485330.db2.gz DBCQRDWKCNEAPW-CQSZACIVSA-N 1 1 388.331 2.387 20 0 GEADMO CSc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000509205133 650489894 /nfs/dbraw/zinc/48/98/94/650489894.db2.gz ZZONBRCJEAMRIU-MAUKXSAKSA-N 1 1 383.583 2.055 20 0 GEADMO CN(C)S(=O)(=O)CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000509614605 650497270 /nfs/dbraw/zinc/49/72/70/650497270.db2.gz CNRCKNUDNMNNRV-UHFFFAOYSA-N 1 1 391.331 2.184 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)NCc1cc(OC)ccc1Br ZINC000465658984 650498589 /nfs/dbraw/zinc/49/85/89/650498589.db2.gz KDFIZIPZGCPQQW-UHFFFAOYSA-N 1 1 388.306 2.225 20 0 GEADMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1I ZINC000509667545 650498655 /nfs/dbraw/zinc/49/86/55/650498655.db2.gz AHZSIOCYTYQIIH-QWRGUYRKSA-N 1 1 388.249 2.464 20 0 GEADMO CNC(=O)N[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000466927924 650499786 /nfs/dbraw/zinc/49/97/86/650499786.db2.gz XCDHKZRZRGIPNK-HNNXBMFYSA-N 1 1 390.285 2.409 20 0 GEADMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000466927924 650499788 /nfs/dbraw/zinc/49/97/88/650499788.db2.gz XCDHKZRZRGIPNK-HNNXBMFYSA-N 1 1 390.285 2.409 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1Br ZINC000467033629 650501277 /nfs/dbraw/zinc/50/12/77/650501277.db2.gz BZICWNAEGSECTI-GFCCVEGCSA-N 1 1 383.290 2.240 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467058409 650501906 /nfs/dbraw/zinc/50/19/06/650501906.db2.gz PPXULWFSAFFOMN-IAQYHMDHSA-N 1 1 380.286 2.295 20 0 GEADMO COc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc(OC)c1Br 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000510744451 650518523 /nfs/dbraw/zinc/51/85/23/650518523.db2.gz GXFHKFFICXKCGZ-ZIAGYGMSSA-N 1 1 384.889 2.340 20 0 GEADMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000510873877 650520676 /nfs/dbraw/zinc/52/06/76/650520676.db2.gz HHKPTAOJOMGMBA-JTQLQIEISA-N 1 1 385.848 2.416 20 0 GEADMO CN1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000475330519 650531835 /nfs/dbraw/zinc/53/18/35/650531835.db2.gz FDDDTJMWGMMQJK-UHFFFAOYSA-N 1 1 395.345 2.371 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000511247066 650530748 /nfs/dbraw/zinc/53/07/48/650530748.db2.gz FUQADAPDDKTVGH-AWEZNQCLSA-N 1 1 384.322 2.019 20 0 GEADMO COCCCS(=O)(=O)NCC[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000475347209 650532186 /nfs/dbraw/zinc/53/21/86/650532186.db2.gz GMJYQYOKGABEMC-ABHNRTSZSA-N 1 1 376.563 2.002 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000511670496 650540595 /nfs/dbraw/zinc/54/05/95/650540595.db2.gz BGVHZNZOEOJEGD-BDAKNGLRSA-N 1 1 390.228 2.265 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000511673703 650540628 /nfs/dbraw/zinc/54/06/28/650540628.db2.gz VXQQMTQPNJFVPN-TUAOUCFPSA-N 1 1 376.341 2.280 20 0 GEADMO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000511673703 650540630 /nfs/dbraw/zinc/54/06/30/650540630.db2.gz VXQQMTQPNJFVPN-TUAOUCFPSA-N 1 1 376.341 2.280 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000511670499 650540643 /nfs/dbraw/zinc/54/06/43/650540643.db2.gz BGVHZNZOEOJEGD-RKDXNWHRSA-N 1 1 390.228 2.265 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000511673704 650540981 /nfs/dbraw/zinc/54/09/81/650540981.db2.gz VXQQMTQPNJFVPN-UTUOFQBUSA-N 1 1 376.341 2.280 20 0 GEADMO O=C(C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000511673704 650540984 /nfs/dbraw/zinc/54/09/84/650540984.db2.gz VXQQMTQPNJFVPN-UTUOFQBUSA-N 1 1 376.341 2.280 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000476343008 650548855 /nfs/dbraw/zinc/54/88/55/650548855.db2.gz QUEYLSTYVOFSPM-OAHLLOKOSA-N 1 1 390.933 2.470 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000476343008 650548859 /nfs/dbraw/zinc/54/88/59/650548859.db2.gz QUEYLSTYVOFSPM-OAHLLOKOSA-N 1 1 390.933 2.470 20 0 GEADMO COc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)c(Br)c1 ZINC000512075515 650545174 /nfs/dbraw/zinc/54/51/74/650545174.db2.gz XPXKEGAGDXPAOK-UHFFFAOYSA-N 1 1 391.331 2.267 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCSCC2)[C@@H]1c1cccs1 ZINC000512613941 650551498 /nfs/dbraw/zinc/55/14/98/650551498.db2.gz UMZLUMYICVVZSW-GDBMZVCRSA-N 1 1 381.567 2.213 20 0 GEADMO COc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000512858654 650555399 /nfs/dbraw/zinc/55/53/99/650555399.db2.gz YGDGJCFKWYLVFV-UHFFFAOYSA-N 1 1 390.292 2.465 20 0 GEADMO CN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000512673122 650552126 /nfs/dbraw/zinc/55/21/26/650552126.db2.gz MUCIEJBKJOZZQZ-KRWDZBQOSA-N 1 1 384.929 2.447 20 0 GEADMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513463093 650563569 /nfs/dbraw/zinc/56/35/69/650563569.db2.gz ZYZTYSPYKACAAA-PWSUYJOCSA-N 1 1 392.677 2.337 20 0 GEADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Br ZINC000476994025 650564992 /nfs/dbraw/zinc/56/49/92/650564992.db2.gz TZAGBSVAAARIIC-GOSISDBHSA-N 1 1 390.281 2.211 20 0 GEADMO C[C@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+]1CCOCC1 ZINC000514867859 650581527 /nfs/dbraw/zinc/58/15/27/650581527.db2.gz SBASYYLAODVUDJ-CQSZACIVSA-N 1 1 394.317 2.088 20 0 GEADMO C[N@@H+](CC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CCSC1 ZINC000478138448 650583487 /nfs/dbraw/zinc/58/34/87/650583487.db2.gz CHFZRYYTCBJYSJ-DGCLKSJQSA-N 1 1 378.416 2.172 20 0 GEADMO COc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1Br ZINC000515368608 650592972 /nfs/dbraw/zinc/59/29/72/650592972.db2.gz HFBXKSWVTHKUSL-NSHDSACASA-N 1 1 386.290 2.241 20 0 GEADMO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C[N@@H+](CC)CCC)CC1 ZINC000516520630 650598159 /nfs/dbraw/zinc/59/81/59/650598159.db2.gz QIVIJBCULMZGJW-MRXNPFEDSA-N 1 1 375.579 2.065 20 0 GEADMO C[C@H]1C[N@H+](C)CC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413124 650604982 /nfs/dbraw/zinc/60/49/82/650604982.db2.gz VGLSKRSDAOMKIH-WCQYABFASA-N 1 1 380.341 2.202 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000518413124 650604985 /nfs/dbraw/zinc/60/49/85/650604985.db2.gz VGLSKRSDAOMKIH-WCQYABFASA-N 1 1 380.341 2.202 20 0 GEADMO C[N@@H+](CC(=O)NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCSC1 ZINC000479761791 650609482 /nfs/dbraw/zinc/60/94/82/650609482.db2.gz CQKHPEBHPBWISJ-ZDUSSCGKSA-N 1 1 377.432 2.119 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000479971545 650613576 /nfs/dbraw/zinc/61/35/76/650613576.db2.gz OTMXRPSGNYFQTB-CYBMUJFWSA-N 1 1 386.924 2.406 20 0 GEADMO Cc1c(Br)cccc1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480031356 650615038 /nfs/dbraw/zinc/61/50/38/650615038.db2.gz WMXSGACSSITCPX-OAHLLOKOSA-N 1 1 396.329 2.004 20 0 GEADMO Cc1nnc([C@@H]2CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)[nH]1 ZINC000521980052 650620802 /nfs/dbraw/zinc/62/08/02/650620802.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 1 399.264 2.244 20 0 GEADMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)n1 ZINC000521980052 650620803 /nfs/dbraw/zinc/62/08/03/650620803.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 1 399.264 2.244 20 0 GEADMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)n1 ZINC000521980052 650620804 /nfs/dbraw/zinc/62/08/04/650620804.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 1 399.264 2.244 20 0 GEADMO Cc1nc([C@@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)n[nH]1 ZINC000521980052 650620805 /nfs/dbraw/zinc/62/08/05/650620805.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 1 399.264 2.244 20 0 GEADMO Cc1nc([C@@H]2CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)n[nH]1 ZINC000521980052 650620806 /nfs/dbraw/zinc/62/08/06/650620806.db2.gz YLYJIDLFPYOSKI-RISCZKNCSA-N 1 1 399.264 2.244 20 0 GEADMO CNS(=O)(=O)CCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000522552592 650625845 /nfs/dbraw/zinc/62/58/45/650625845.db2.gz VLQHUFWGQIXQFQ-UHFFFAOYSA-N 1 1 379.295 2.492 20 0 GEADMO CNS(=O)(=O)CCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000522552592 650625848 /nfs/dbraw/zinc/62/58/48/650625848.db2.gz VLQHUFWGQIXQFQ-UHFFFAOYSA-N 1 1 379.295 2.492 20 0 GEADMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2csc(-c3ccccc3)n2)n1C ZINC000522982386 650630496 /nfs/dbraw/zinc/63/04/96/650630496.db2.gz JIULBQVNYZIYSQ-UHFFFAOYSA-N 1 1 377.495 2.088 20 0 GEADMO C[C@H]1CCc2nc(C[NH2+]Cc3ccc(S(=O)(=O)CCO)cc3)sc2C1 ZINC000480938983 650638174 /nfs/dbraw/zinc/63/81/74/650638174.db2.gz SNUMOKALXAWQJN-ZDUSSCGKSA-N 1 1 380.535 2.324 20 0 GEADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)c[nH]1 ZINC000523310776 650633772 /nfs/dbraw/zinc/63/37/72/650633772.db2.gz VLKUQJVTSVZDEY-UHFFFAOYSA-N 1 1 392.301 2.114 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000480848749 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C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000525409991 650654870 /nfs/dbraw/zinc/65/48/70/650654870.db2.gz ASRBOCQCNYRCJJ-NWDGAFQWSA-N 1 1 382.309 2.100 20 0 GEADMO C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000525409991 650654871 /nfs/dbraw/zinc/65/48/71/650654871.db2.gz ASRBOCQCNYRCJJ-NWDGAFQWSA-N 1 1 382.309 2.100 20 0 GEADMO COc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)cc1Br ZINC000525820156 650658107 /nfs/dbraw/zinc/65/81/07/650658107.db2.gz XEGBDFITUSZXLW-NSHDSACASA-N 1 1 377.304 2.078 20 0 GEADMO COc1cccc2c(NCCS(=O)(=O)N3CCSCC3)cc(C)[nH+]c12 ZINC000482011402 650658181 /nfs/dbraw/zinc/65/81/81/650658181.db2.gz UKARFYHMSVZNOZ-UHFFFAOYSA-N 1 1 381.523 2.342 20 0 GEADMO O=C1NCCN1[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000525833734 650658316 /nfs/dbraw/zinc/65/83/16/650658316.db2.gz UXCJRKCOKVZVQA-CQSZACIVSA-N 1 1 386.265 2.457 20 0 GEADMO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)CCSc1ccccc1 ZINC000484622519 650687854 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ZINC000418083348 648276505 /nfs/dbraw/zinc/27/65/05/648276505.db2.gz ZPFFWWHRJSCQFU-CQSZACIVSA-N 1 1 392.256 2.367 20 0 GEADMO C[NH2+]C[C@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000418271985 648290749 /nfs/dbraw/zinc/29/07/49/648290749.db2.gz USCLJRSUXCYZCP-LLVKDONJSA-N 1 1 380.290 2.466 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418508970 648299153 /nfs/dbraw/zinc/29/91/53/648299153.db2.gz AACQMEJRZVMLSE-UHFFFAOYSA-N 1 1 395.237 2.055 20 0 GEADMO COCCN(Cc1ccc(Br)s1)C(=O)NCC(F)(F)C[NH3+] ZINC000418523084 648299549 /nfs/dbraw/zinc/29/95/49/648299549.db2.gz KGXUDGRAJRAHAH-UHFFFAOYSA-N 1 1 386.262 2.263 20 0 GEADMO C[C@@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@H+]1CCO ZINC000419327415 648347567 /nfs/dbraw/zinc/34/75/67/648347567.db2.gz CXDKVAGOQVAENA-KGLIPLIRSA-N 1 1 388.339 2.339 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000419330119 648347701 /nfs/dbraw/zinc/34/77/01/648347701.db2.gz QKNXERSBNVIWDX-CHWSQXEVSA-N 1 1 395.301 2.386 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1cccc(Br)c1 ZINC000419345891 648348835 /nfs/dbraw/zinc/34/88/35/648348835.db2.gz UNONALLYSNXYPX-KBPBESRZSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H](C)CN1CCO ZINC000419345891 648348839 /nfs/dbraw/zinc/34/88/39/648348839.db2.gz UNONALLYSNXYPX-KBPBESRZSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H](C)CN1CCO ZINC000419345891 648348842 /nfs/dbraw/zinc/34/88/42/648348842.db2.gz UNONALLYSNXYPX-KBPBESRZSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419413495 648351535 /nfs/dbraw/zinc/35/15/35/648351535.db2.gz FTYNKZWYKWRADS-ILXRZTDVSA-N 1 1 398.345 2.477 20 0 GEADMO Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1Br ZINC000419489819 648354562 /nfs/dbraw/zinc/35/45/62/648354562.db2.gz GOTUGJFFMMPHBI-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCc1cccc(Br)c1 ZINC000419501997 648355042 /nfs/dbraw/zinc/35/50/42/648355042.db2.gz AOJAXLFAPPJOCE-UONOGXRCSA-N 1 1 384.318 2.088 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccsc1Br ZINC000419506085 648355153 /nfs/dbraw/zinc/35/51/53/648355153.db2.gz MNWNCRMWOQCTNH-QWRGUYRKSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C)C[N@H+]1CCO ZINC000419520583 648356123 /nfs/dbraw/zinc/35/61/23/648356123.db2.gz MSBHGLHDOGMIBK-RPCCPQHDSA-N 1 1 396.329 2.402 20 0 GEADMO Cc1cc(Br)cn2cc(C[NH2+]Cc3cnc(N(C)C)n3C)nc12 ZINC000419686963 648364877 /nfs/dbraw/zinc/36/48/77/648364877.db2.gz OOBIYVARRSADCA-UHFFFAOYSA-N 1 1 377.290 2.495 20 0 GEADMO OC[C@H]([NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCCO1 ZINC000419734065 648372496 /nfs/dbraw/zinc/37/24/96/648372496.db2.gz UWDBCTZIEUSEDJ-RYUDHWBXSA-N 1 1 380.080 2.236 20 0 GEADMO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000419825616 648382579 /nfs/dbraw/zinc/38/25/79/648382579.db2.gz QITHSHSZUGPEPC-NWDGAFQWSA-N 1 1 382.096 2.218 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[NH2+]Cc2c(C)cccc21 ZINC000420466986 648418795 /nfs/dbraw/zinc/41/87/95/648418795.db2.gz XUHNWHNTTFGWMW-UHFFFAOYSA-N 1 1 380.491 2.450 20 0 GEADMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420666813 648430735 /nfs/dbraw/zinc/43/07/35/648430735.db2.gz OROMAXUNERCWPQ-LBPRGKRZSA-N 1 1 398.859 2.331 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420666813 648430739 /nfs/dbraw/zinc/43/07/39/648430739.db2.gz OROMAXUNERCWPQ-LBPRGKRZSA-N 1 1 398.859 2.331 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000420741204 648447420 /nfs/dbraw/zinc/44/74/20/648447420.db2.gz SMLFZEBVOROJTJ-LBPRGKRZSA-N 1 1 379.295 2.444 20 0 GEADMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420958849 648459632 /nfs/dbraw/zinc/45/96/32/648459632.db2.gz DOXSIAMCJIHAJQ-AWEZNQCLSA-N 1 1 380.286 2.398 20 0 GEADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420980610 648461160 /nfs/dbraw/zinc/46/11/60/648461160.db2.gz WYPKXYVLOYGUQO-OAHLLOKOSA-N 1 1 397.313 2.478 20 0 GEADMO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420985330 648461628 /nfs/dbraw/zinc/46/16/28/648461628.db2.gz KPEHDUKXFMYFEM-WBMJQRKESA-N 1 1 382.302 2.006 20 0 GEADMO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420985330 648461629 /nfs/dbraw/zinc/46/16/29/648461629.db2.gz KPEHDUKXFMYFEM-WBMJQRKESA-N 1 1 382.302 2.006 20 0 GEADMO CN(C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@H+]1C ZINC000421003327 648461680 /nfs/dbraw/zinc/46/16/80/648461680.db2.gz RWFYNZYTLDJDGA-GJZGRUSLSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@H]1C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000421003327 648461685 /nfs/dbraw/zinc/46/16/85/648461685.db2.gz RWFYNZYTLDJDGA-GJZGRUSLSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@H]1C[N@@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000421003327 648461689 /nfs/dbraw/zinc/46/16/89/648461689.db2.gz RWFYNZYTLDJDGA-GJZGRUSLSA-N 1 1 375.282 2.354 20 0 GEADMO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@H+]1C ZINC000421003332 648461922 /nfs/dbraw/zinc/46/19/22/648461922.db2.gz RWFYNZYTLDJDGA-LSDHHAIUSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@H]1C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000421003332 648461924 /nfs/dbraw/zinc/46/19/24/648461924.db2.gz RWFYNZYTLDJDGA-LSDHHAIUSA-N 1 1 375.282 2.354 20 0 GEADMO CN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000421003332 648461928 /nfs/dbraw/zinc/46/19/28/648461928.db2.gz RWFYNZYTLDJDGA-LSDHHAIUSA-N 1 1 375.282 2.354 20 0 GEADMO COc1cc(=O)n(Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000421213642 648471502 /nfs/dbraw/zinc/47/15/02/648471502.db2.gz MCRNXNILZYYGGG-UHFFFAOYSA-N 1 1 393.281 2.500 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421227238 648474472 /nfs/dbraw/zinc/47/44/72/648474472.db2.gz PYDJEZSMIQJXFL-WFASDCNBSA-N 1 1 394.313 2.137 20 0 GEADMO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(F)cc1Br ZINC000421297532 648485605 /nfs/dbraw/zinc/48/56/05/648485605.db2.gz LLBKIJFZKKQHGK-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1ccc(I)cc1 ZINC000421700259 648505044 /nfs/dbraw/zinc/50/50/44/648505044.db2.gz DLGUNYIAKZRHFW-ZDUSSCGKSA-N 1 1 388.249 2.223 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000421709946 648506026 /nfs/dbraw/zinc/50/60/26/648506026.db2.gz IAEKATKPZTWLDD-GXTWGEPZSA-N 1 1 380.286 2.428 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422022885 648518351 /nfs/dbraw/zinc/51/83/51/648518351.db2.gz OKTDZUFPAMZHDL-IUODEOHRSA-N 1 1 382.302 2.120 20 0 GEADMO C[N@@H+](CCCCNC(=O)C(=O)NCc1cc(Br)cs1)C1CC1 ZINC000422092333 648521060 /nfs/dbraw/zinc/52/10/60/648521060.db2.gz KREFHPHFNSSRAJ-UHFFFAOYSA-N 1 1 388.331 2.117 20 0 GEADMO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422458167 648546890 /nfs/dbraw/zinc/54/68/90/648546890.db2.gz VJIBBDJZAWZDHG-UHFFFAOYSA-N 1 1 396.329 2.398 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCCN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422907238 648576847 /nfs/dbraw/zinc/57/68/47/648576847.db2.gz LEJJFTZWNVETHZ-WBMJQRKESA-N 1 1 384.318 2.165 20 0 GEADMO C[C@H]1CC[NH2+]CC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423110125 648580907 /nfs/dbraw/zinc/58/09/07/648580907.db2.gz UOTMJFHFDQNKKD-AAEUAGOBSA-N 1 1 380.341 2.249 20 0 GEADMO Ic1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CCO1)CCCO2 ZINC000423513560 648593648 /nfs/dbraw/zinc/59/36/48/648593648.db2.gz CINASMLGYMSMTE-TZMCWYRMSA-N 1 1 388.249 2.083 20 0 GEADMO COc1cc(Br)ccc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423946410 648604225 /nfs/dbraw/zinc/60/42/25/648604225.db2.gz IFFHSRYKKKLNBU-UHFFFAOYSA-N 1 1 396.329 2.404 20 0 GEADMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000424002136 648608550 /nfs/dbraw/zinc/60/85/50/648608550.db2.gz CTDYRKBLJABBKL-NXEZZACHSA-N 1 1 398.248 2.224 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000424688471 648638931 /nfs/dbraw/zinc/63/89/31/648638931.db2.gz RTIYROLMSIQOEQ-GFCCVEGCSA-N 1 1 385.302 2.464 20 0 GEADMO Cn1cc(Br)c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000519825793 648641251 /nfs/dbraw/zinc/64/12/51/648641251.db2.gz VBMXZZXSVQBKFS-HNNXBMFYSA-N 1 1 392.301 2.110 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424731268 648642335 /nfs/dbraw/zinc/64/23/35/648642335.db2.gz DFRGPMCSFACPMB-ZDUSSCGKSA-N 1 1 396.285 2.048 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000424858528 648654025 /nfs/dbraw/zinc/65/40/25/648654025.db2.gz BTAVAGNIQKEIHD-ZDUSSCGKSA-N 1 1 385.302 2.343 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000424988882 648659716 /nfs/dbraw/zinc/65/97/16/648659716.db2.gz GOICHMFVTHTVMF-INIZCTEOSA-N 1 1 397.313 2.322 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)s1 ZINC000425420162 648675957 /nfs/dbraw/zinc/67/59/57/648675957.db2.gz KLIPQCMETGDPAI-KRWDZBQOSA-N 1 1 380.535 2.480 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)s1 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O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000662295139 652455140 /nfs/dbraw/zinc/45/51/40/652455140.db2.gz TVZNJHJQGNOAMX-CQSZACIVSA-N 1 1 381.318 2.494 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1ccccc1Br ZINC000662356295 652457056 /nfs/dbraw/zinc/45/70/56/652457056.db2.gz QIFNJGVOSKMQJJ-QGZVFWFLSA-N 1 1 389.297 2.188 20 0 GEADMO [NH3+][C@@H](C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1Br ZINC000662391172 652458756 /nfs/dbraw/zinc/45/87/56/652458756.db2.gz XAHHXDQLMHHKRT-IUODEOHRSA-N 1 1 379.258 2.463 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000628495806 652459656 /nfs/dbraw/zinc/45/96/56/652459656.db2.gz AOGFJXVHSYTBDP-LBPRGKRZSA-N 1 1 376.906 2.118 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000628495806 652459659 /nfs/dbraw/zinc/45/96/59/652459659.db2.gz AOGFJXVHSYTBDP-LBPRGKRZSA-N 1 1 376.906 2.118 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000628495693 652459680 /nfs/dbraw/zinc/45/96/80/652459680.db2.gz XSGYZVRRUPOCQK-CYBMUJFWSA-N 1 1 378.441 2.058 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628496618 652459919 /nfs/dbraw/zinc/45/99/19/652459919.db2.gz VKBJMPGOZUYNSC-ZDUSSCGKSA-N 1 1 388.555 2.187 20 0 GEADMO C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)C(=O)N1CCCC[C@H]1C ZINC000662436847 652460976 /nfs/dbraw/zinc/46/09/76/652460976.db2.gz DPVTXEKQLNOXDR-TYNCELHUSA-N 1 1 382.302 2.355 20 0 GEADMO [NH3+][C@@H](C(=O)NCCCOCC1CCOCC1)c1ccccc1Br ZINC000662471094 652462990 /nfs/dbraw/zinc/46/29/90/652462990.db2.gz KYCJASYYCVFCQI-MRXNPFEDSA-N 1 1 385.302 2.398 20 0 GEADMO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000582840080 652463542 /nfs/dbraw/zinc/46/35/42/652463542.db2.gz CVUGESKCEXURQC-LDYMZIIASA-N 1 1 381.192 2.421 20 0 GEADMO [NH3+][C@@H](C(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1Br ZINC000662504417 652465326 /nfs/dbraw/zinc/46/53/26/652465326.db2.gz VWBYLSLLCMNPRS-JKSUJKDBSA-N 1 1 394.313 2.499 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000662517547 652465706 /nfs/dbraw/zinc/46/57/06/652465706.db2.gz JGBDOBPAHRNUHW-QWHCGFSZSA-N 1 1 377.794 2.270 20 0 GEADMO CCN(C(=O)c1sc2c(c1Br)C[NH2+]C2)[C@H](C)CS(C)(=O)=O ZINC000662529872 652466191 /nfs/dbraw/zinc/46/61/91/652466191.db2.gz DWBQGOVFNDHPSN-MRVPVSSYSA-N 1 1 395.344 2.009 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(I)c1O ZINC000755492248 652466308 /nfs/dbraw/zinc/46/63/08/652466308.db2.gz BTLZCXQYJNLPMZ-TVQRCGJNSA-N 1 1 386.233 2.209 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(I)c1O ZINC000755492248 652466309 /nfs/dbraw/zinc/46/63/09/652466309.db2.gz BTLZCXQYJNLPMZ-TVQRCGJNSA-N 1 1 386.233 2.209 20 0 GEADMO CC(C)c1nnc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)n1C ZINC000662542442 652466810 /nfs/dbraw/zinc/46/68/10/652466810.db2.gz NJUXBLMTQZYLJT-UHFFFAOYSA-N 1 1 384.303 2.296 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1Br ZINC000662546655 652467353 /nfs/dbraw/zinc/46/73/53/652467353.db2.gz VPOMBWYVHHXZNR-KCXAZCMYSA-N 1 1 397.313 2.133 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1cccc(Cl)c1Cl ZINC000662618062 652469695 /nfs/dbraw/zinc/46/96/95/652469695.db2.gz TWZCSQGSIPUZEX-RBZYPMLTSA-N 1 1 379.309 2.288 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCC(S(C)(=O)=O)CC1)c1cccc(Cl)c1Cl ZINC000662626530 652469705 /nfs/dbraw/zinc/46/97/05/652469705.db2.gz IQQULMFRMNXKSI-AWEZNQCLSA-N 1 1 379.309 2.290 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000628750731 652469958 /nfs/dbraw/zinc/46/99/58/652469958.db2.gz NPNFPUFSDPAPBU-ZDUSSCGKSA-N 1 1 392.301 2.492 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000628750221 652470026 /nfs/dbraw/zinc/47/00/26/652470026.db2.gz RESWMMDTQSYPAQ-NSHDSACASA-N 1 1 396.285 2.242 20 0 GEADMO C[NH2+][C@H](C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)c1cccc(Cl)c1Cl ZINC000662658481 652470385 /nfs/dbraw/zinc/47/03/85/652470385.db2.gz ATAHSNXJLOVRFE-BHDSKKPTSA-N 1 1 379.309 2.336 20 0 GEADMO COC(=O)C1(CS(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000583296594 652480220 /nfs/dbraw/zinc/48/02/20/652480220.db2.gz HJZVEVHIDVPWBY-HNNXBMFYSA-N 1 1 388.917 2.205 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C[C@H]1C ZINC000663122513 652483585 /nfs/dbraw/zinc/48/35/85/652483585.db2.gz RKXBZCAJTNMSIY-LLVKDONJSA-N 1 1 379.511 2.066 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C[C@H]1C ZINC000663122513 652483587 /nfs/dbraw/zinc/48/35/87/652483587.db2.gz RKXBZCAJTNMSIY-LLVKDONJSA-N 1 1 379.511 2.066 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583560927 652490059 /nfs/dbraw/zinc/49/00/59/652490059.db2.gz CUFZUBNYYQGTHK-JTQLQIEISA-N 1 1 384.303 2.077 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583560927 652490060 /nfs/dbraw/zinc/49/00/60/652490060.db2.gz CUFZUBNYYQGTHK-JTQLQIEISA-N 1 1 384.303 2.077 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C[C@H]1C ZINC000756180068 652491677 /nfs/dbraw/zinc/49/16/77/652491677.db2.gz PJPHFHDSBHTJIJ-NEPJUHHUSA-N 1 1 389.905 2.015 20 0 GEADMO CCn1nccc1C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000663350147 652494897 /nfs/dbraw/zinc/49/48/97/652494897.db2.gz ZTYGQSCVPPORIG-GFCCVEGCSA-N 1 1 395.301 2.469 20 0 GEADMO CN1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000663369710 652495483 /nfs/dbraw/zinc/49/54/83/652495483.db2.gz HIYLDGUHECFLDM-PKOBYXMFSA-N 1 1 396.373 2.415 20 0 GEADMO CS(=O)(=O)c1ccc(NCCC[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000663403926 652496939 /nfs/dbraw/zinc/49/69/39/652496939.db2.gz ZQIONGBEVJHEFE-UHFFFAOYSA-N 1 1 380.432 2.368 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNc2nnc3ccc(Br)cn32)CC1 ZINC000663395531 652496946 /nfs/dbraw/zinc/49/69/46/652496946.db2.gz OIGWYEZFSYUNKZ-ZDUSSCGKSA-N 1 1 381.322 2.177 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000583883012 652501580 /nfs/dbraw/zinc/50/15/80/652501580.db2.gz BZHITHYFDRTYQF-UHFFFAOYSA-N 1 1 393.278 2.137 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663583899 652504595 /nfs/dbraw/zinc/50/45/95/652504595.db2.gz GMEXULYNHNKBKE-UHFFFAOYSA-N 1 1 382.306 2.081 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCN1CCC1 ZINC000584123974 652510210 /nfs/dbraw/zinc/51/02/10/652510210.db2.gz PBGOOSHVMJPQEW-CYBMUJFWSA-N 1 1 384.318 2.148 20 0 GEADMO O=C(NCc1ccc(Br)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664024025 652518461 /nfs/dbraw/zinc/51/84/61/652518461.db2.gz FITCAPGHVDHBAP-MRXNPFEDSA-N 1 1 382.302 2.190 20 0 GEADMO C[C@@H]1C[NH+](C[C@H](O)CN[C@H](CO)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000584385977 652519297 /nfs/dbraw/zinc/51/92/97/652519297.db2.gz ZVHISPCJAKWPQU-BRXULGCHSA-N 1 1 377.312 2.087 20 0 GEADMO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631099769 652519958 /nfs/dbraw/zinc/51/99/58/652519958.db2.gz KWZDTRCHUVOLGS-SNVBAGLBSA-N 1 1 382.711 2.011 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1F ZINC000631327609 652522075 /nfs/dbraw/zinc/52/20/75/652522075.db2.gz XPJPTBXFVUDRDW-CYBMUJFWSA-N 1 1 390.286 2.269 20 0 GEADMO O=C(Cc1csc(NC(=O)c2ccco2)n1)OCC[NH+]1CCSCC1 ZINC000757945847 652526496 /nfs/dbraw/zinc/52/64/96/652526496.db2.gz SNMLLTCXWXECIJ-UHFFFAOYSA-N 1 1 381.479 2.123 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000584761597 652528377 /nfs/dbraw/zinc/52/83/77/652528377.db2.gz OCCNVHVBSXMHQL-BETUJISGSA-N 1 1 392.278 2.277 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000584761597 652528381 /nfs/dbraw/zinc/52/83/81/652528381.db2.gz OCCNVHVBSXMHQL-BETUJISGSA-N 1 1 392.278 2.277 20 0 GEADMO COc1cc(CN(C)S(=O)(=O)CC2([NH+](C)C)CC2)ccc1OC(F)F ZINC000631653774 652529879 /nfs/dbraw/zinc/52/98/79/652529879.db2.gz YXKSCWZTMIHEPA-UHFFFAOYSA-N 1 1 378.441 2.152 20 0 GEADMO Cn1c2ccc(S(=O)(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2sc1=O ZINC000631720154 652533392 /nfs/dbraw/zinc/53/33/92/652533392.db2.gz GQRJPCVXCAWRAY-CQSZACIVSA-N 1 1 397.547 2.243 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C\c1ccc(I)o1 ZINC000758202776 652533699 /nfs/dbraw/zinc/53/36/99/652533699.db2.gz QGVJMFSHDMNAHB-MIEUEZKFSA-N 1 1 386.233 2.496 20 0 GEADMO C[NH+]1CCN([C@H](CNS(=O)(=O)CCC(C)(F)F)c2cccs2)CC1 ZINC000631795365 652534652 /nfs/dbraw/zinc/53/46/52/652534652.db2.gz IYQAHXYIECHUOS-CYBMUJFWSA-N 1 1 381.514 2.001 20 0 GEADMO Cc1cccc(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000664728870 652536907 /nfs/dbraw/zinc/53/69/07/652536907.db2.gz HGVFZPFTSWJBQV-INIZCTEOSA-N 1 1 396.329 2.498 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1I ZINC000758317641 652537023 /nfs/dbraw/zinc/53/70/23/652537023.db2.gz NGQISNJYSRGJLX-NEPJUHHUSA-N 1 1 385.249 2.385 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000758339285 652537939 /nfs/dbraw/zinc/53/79/39/652537939.db2.gz WEHMKUFWOLNVHO-RISCZKNCSA-N 1 1 390.285 2.242 20 0 GEADMO CCN(C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000665131087 652545990 /nfs/dbraw/zinc/54/59/90/652545990.db2.gz NROMCLMEDVMHNU-OAHLLOKOSA-N 1 1 387.933 2.369 20 0 GEADMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2cscc2Br)CCCO1 ZINC000632278474 652555057 /nfs/dbraw/zinc/55/50/57/652555057.db2.gz SEHJXVXUUILORV-NSHDSACASA-N 1 1 397.360 2.290 20 0 GEADMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000589230893 652562656 /nfs/dbraw/zinc/56/26/56/652562656.db2.gz HIMWSTXFXJHWQF-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO CC[NH+]1CCN(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000665928521 652563126 /nfs/dbraw/zinc/56/31/26/652563126.db2.gz HYNOQNBAARYHAZ-UHFFFAOYSA-N 1 1 394.273 2.346 20 0 GEADMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000632429636 652563205 /nfs/dbraw/zinc/56/32/05/652563205.db2.gz OVXYGELTTUKGLE-UHFFFAOYSA-N 1 1 382.349 2.199 20 0 GEADMO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(I)c1 ZINC000590045841 652573362 /nfs/dbraw/zinc/57/33/62/652573362.db2.gz XXOVMJVTGHXLRF-HZMBPMFUSA-N 1 1 386.233 2.076 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@H]2C1 ZINC000590045312 652573504 /nfs/dbraw/zinc/57/35/04/652573504.db2.gz PAUUQGGTBSXDKD-OQPBUACISA-N 1 1 392.187 2.346 20 0 GEADMO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000632678983 652574240 /nfs/dbraw/zinc/57/42/40/652574240.db2.gz VMOQJNWQXLUCJZ-QGZVFWFLSA-N 1 1 379.551 2.496 20 0 GEADMO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000590747931 652579281 /nfs/dbraw/zinc/57/92/81/652579281.db2.gz DFEAGDFJSSMMSH-FRRDWIJNSA-N 1 1 388.452 2.005 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000666638701 652581767 /nfs/dbraw/zinc/58/17/67/652581767.db2.gz JLZYPPVKEZNNLS-GFCCVEGCSA-N 1 1 390.347 2.465 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197878 652590451 /nfs/dbraw/zinc/59/04/51/652590451.db2.gz PWBIEWZTMREDBG-PWSUYJOCSA-N 1 1 375.252 2.178 20 0 GEADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000592197879 652590585 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COC(=O)c1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c(Cl)cc1Cl ZINC000842482946 653758042 /nfs/dbraw/zinc/75/80/42/653758042.db2.gz DNKZIOAVFCASTK-VIFPVBQESA-N 1 1 391.223 2.041 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000865264100 653758355 /nfs/dbraw/zinc/75/83/55/653758355.db2.gz BKGPSHVVYQFXAG-GDBMZVCRSA-N 1 1 383.583 2.142 20 0 GEADMO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000819825843 653758390 /nfs/dbraw/zinc/75/83/90/653758390.db2.gz YCTLMGVVPUSFST-GHMZBOCLSA-N 1 1 395.472 2.273 20 0 GEADMO O=c1c(Br)nn(C[N@@H+]2CCO[C@]3(CCSC3)C2)c2ccccc12 ZINC000842620839 653760617 /nfs/dbraw/zinc/76/06/17/653760617.db2.gz VMUCGHSRLNMCIU-MRXNPFEDSA-N 1 1 396.310 2.324 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CCO[C@]3(CCSC3)C2)c2ccccc12 ZINC000842620839 653760620 /nfs/dbraw/zinc/76/06/20/653760620.db2.gz VMUCGHSRLNMCIU-MRXNPFEDSA-N 1 1 396.310 2.324 20 0 GEADMO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(C)=O)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000882081830 653761339 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COc1cc(Br)c(CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1OC ZINC000865658821 653771202 /nfs/dbraw/zinc/77/12/02/653771202.db2.gz ZZNGZGRFBCCSAC-ZDUSSCGKSA-N 1 1 387.318 2.401 20 0 GEADMO COc1cc(Br)c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1OC ZINC000865658821 653771203 /nfs/dbraw/zinc/77/12/03/653771203.db2.gz ZZNGZGRFBCCSAC-ZDUSSCGKSA-N 1 1 387.318 2.401 20 0 GEADMO C[N@H+]1CCCC12CCN(c1ccc(Br)cc1S(N)(=O)=O)CC2 ZINC000865655294 653771262 /nfs/dbraw/zinc/77/12/62/653771262.db2.gz CNSAABGNUXMTQC-UHFFFAOYSA-N 1 1 388.331 2.161 20 0 GEADMO C/C(=C/c1ccc(Br)o1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000865667105 653771649 /nfs/dbraw/zinc/77/16/49/653771649.db2.gz UUYVIACIGWTUTA-BENRWUELSA-N 1 1 398.301 2.114 20 0 GEADMO CN(C(=O)c1ccc(I)cc1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865716870 653772624 /nfs/dbraw/zinc/77/26/24/653772624.db2.gz GPYHBRNBROUUNP-GFCCVEGCSA-N 1 1 386.233 2.306 20 0 GEADMO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000789375348 653772881 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O[C@@H](C[NH2+]C[C@H](O)CN1CCCCC1)c1ccc(F)c(Br)c1 ZINC000843061276 653778227 /nfs/dbraw/zinc/77/82/27/653778227.db2.gz DJVUIUDAOKKBEZ-BBRMVZONSA-N 1 1 375.282 2.058 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000882483868 653784305 /nfs/dbraw/zinc/78/43/05/653784305.db2.gz MMLBCPUSEOAYBF-CHWSQXEVSA-N 1 1 380.286 2.012 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000882487485 653784610 /nfs/dbraw/zinc/78/46/10/653784610.db2.gz FDALTDFCBKGXNW-GFCCVEGCSA-N 1 1 387.933 2.241 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Br)ncc1Br ZINC000882498559 653785053 /nfs/dbraw/zinc/78/50/53/653785053.db2.gz WMPFLHIATJQQLW-MRVPVSSYSA-N 1 1 377.080 2.431 20 0 GEADMO COC[C@@]1(C(=O)OC(C)(C)C)CN(c2cc[nH+]cc2Br)CCO1 ZINC000866082749 653785354 /nfs/dbraw/zinc/78/53/54/653785354.db2.gz FHEBJTKNZSCJFQ-MRXNPFEDSA-N 1 1 387.274 2.408 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364209 653785794 /nfs/dbraw/zinc/78/57/94/653785794.db2.gz RFDKPUVHUAUWMY-UHFFFAOYSA-N 1 1 380.330 2.483 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000866194955 653788522 /nfs/dbraw/zinc/78/85/22/653788522.db2.gz ZWOPZDASYQZBED-RHSMWYFYSA-N 1 1 396.329 2.427 20 0 GEADMO CC(=O)N[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000866271435 653789708 /nfs/dbraw/zinc/78/97/08/653789708.db2.gz KZOOMJXSWAGRHS-LRDDRELGSA-N 1 1 382.302 2.084 20 0 GEADMO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000821057419 653789797 /nfs/dbraw/zinc/78/97/97/653789797.db2.gz WLOCYUPGAXXOQX-ZDUSSCGKSA-N 1 1 376.831 2.403 20 0 GEADMO Cc1c(C[N@@H+](C)Cn2nc(Br)c(=O)c3ccccc32)cnn1C ZINC000790423548 653791396 /nfs/dbraw/zinc/79/13/96/653791396.db2.gz WWQTZRNRGXHABA-UHFFFAOYSA-N 1 1 376.258 2.290 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)C[C@@H]2C1 ZINC000821332456 653794927 /nfs/dbraw/zinc/79/49/27/653794927.db2.gz POQPMLDMSPCCDY-FPMFFAJLSA-N 1 1 380.286 2.186 20 0 GEADMO C[N@H+](CCn1cnc(Br)n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000821379472 653796394 /nfs/dbraw/zinc/79/63/94/653796394.db2.gz GPLMQWXHLZMSCM-CYBMUJFWSA-N 1 1 398.692 2.431 20 0 GEADMO C[N@@H+](CCn1cnc(Br)n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000821379472 653796395 /nfs/dbraw/zinc/79/63/95/653796395.db2.gz GPLMQWXHLZMSCM-CYBMUJFWSA-N 1 1 398.692 2.431 20 0 GEADMO CC[N@@H+](CCn1cnc(Br)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821380094 653796502 /nfs/dbraw/zinc/79/65/02/653796502.db2.gz NPSWFECVKVXCJN-CQSZACIVSA-N 1 1 378.274 2.168 20 0 GEADMO CC(C)[C@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC[N@@H+]1C ZINC000882702267 653798661 /nfs/dbraw/zinc/79/86/61/653798661.db2.gz UUEJARQTZZRKTC-LLVKDONJSA-N 1 1 397.239 2.345 20 0 GEADMO CC(C)[C@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC[N@H+]1C ZINC000882702267 653798662 /nfs/dbraw/zinc/79/86/62/653798662.db2.gz UUEJARQTZZRKTC-LLVKDONJSA-N 1 1 397.239 2.345 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(C(=O)C[C@H](C)n2cc(Br)cn2)C[C@@H]1C ZINC000844022098 653799358 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CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)n1 ZINC001164746571 720838101 /nfs/dbraw/zinc/83/81/01/720838101.db2.gz ORQQLQYSGPWGQI-MISYRCLQSA-N 1 1 381.528 2.318 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CSCC4)CC[C@@H]2C1 ZINC001164858237 720839425 /nfs/dbraw/zinc/83/94/25/720839425.db2.gz ZEPLGTGAMFDSNP-CJNGLKHVSA-N 1 1 398.960 2.093 20 0 GEADMO COc1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743117 720841208 /nfs/dbraw/zinc/84/12/08/720841208.db2.gz IPQRGJKPVQXMKA-IPMKNSEASA-N 1 1 382.512 2.370 20 0 GEADMO FC(F)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739408 720842285 /nfs/dbraw/zinc/84/22/85/720842285.db2.gz ADLKDTNOVRYBRK-YQQAZPJKSA-N 1 1 389.454 2.385 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc4cc(C(=O)OC)ccc43)CC[C@@H]2C1 ZINC001164853290 720849395 /nfs/dbraw/zinc/84/93/95/720849395.db2.gz NYKZDCIMNBINHR-UYAOXDASSA-N 1 1 399.491 2.195 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4c3CCCC4)CC[C@@H]2C1 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Clc1nc2[nH]ccc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866020 721042769 /nfs/dbraw/zinc/04/27/69/721042769.db2.gz BOSXXANIQFZLGN-CABCVRRESA-N 1 1 384.871 2.486 20 0 GEADMO COC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868903 721047798 /nfs/dbraw/zinc/04/77/98/721047798.db2.gz RANFKJPUEYALSO-OALUTQOASA-N 1 1 382.464 2.051 20 0 GEADMO COc1cnc(SC)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869497 721052211 /nfs/dbraw/zinc/05/22/11/721052211.db2.gz TUDJKPLJDZSSFM-HZPDHXFCSA-N 1 1 387.509 2.082 20 0 GEADMO CCOC(=O)Cc1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866602 721058377 /nfs/dbraw/zinc/05/83/77/721058377.db2.gz FVLAPRBJPQVTFC-PMACEKPBSA-N 1 1 396.491 2.062 20 0 GEADMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164868179 721067535 /nfs/dbraw/zinc/06/75/35/721067535.db2.gz NMINZPPGFSYUEQ-MSOLQXFVSA-N 1 1 382.464 2.051 20 0 GEADMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001164868808 721070350 /nfs/dbraw/zinc/07/03/50/721070350.db2.gz QPCHGAUZHVSOPA-RTBURBONSA-N 1 1 382.464 2.051 20 0 GEADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001164866084 721070712 /nfs/dbraw/zinc/07/07/12/721070712.db2.gz CMUUFBIXOVAVMV-LSDHHAIUSA-N 1 1 399.886 2.189 20 0 GEADMO Cn1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870973 721072346 /nfs/dbraw/zinc/07/23/46/721072346.db2.gz XPVCMYAUGCALKG-HZPDHXFCSA-N 1 1 398.898 2.496 20 0 GEADMO Cn1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870965 721073005 /nfs/dbraw/zinc/07/30/05/721073005.db2.gz XPVCMYAUGCALKG-CVEARBPZSA-N 1 1 398.898 2.496 20 0 GEADMO COC(=O)c1cnc(Cl)cc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773678 721075319 /nfs/dbraw/zinc/07/53/19/721075319.db2.gz YDHWOHZDSGGKMI-CABCVRRESA-N 1 1 389.887 2.213 20 0 GEADMO COC(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164867482 721077756 /nfs/dbraw/zinc/07/77/56/721077756.db2.gz YMWOWPSWXODILG-ROUUACIJSA-N 1 1 382.464 2.051 20 0 GEADMO COC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164772064 721081234 /nfs/dbraw/zinc/08/12/34/721081234.db2.gz SZBPIOAYGIYLIU-ZBFHGGJFSA-N 1 1 389.887 2.213 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(Cl)c5ccncc54)C[C@H]3C2)cn1 ZINC001164768359 721087032 /nfs/dbraw/zinc/08/70/32/721087032.db2.gz MZNUDFJFRPIPAF-LSDHHAIUSA-N 1 1 383.887 2.370 20 0 GEADMO COc1cccc2c1ncnc2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765751 721092511 /nfs/dbraw/zinc/09/25/11/721092511.db2.gz JSXPNIMFYQSQPE-IAGOWNOFSA-N 1 1 378.480 2.330 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5cccnc54)C[C@@H]3C2)cn1 ZINC001164771589 721095257 /nfs/dbraw/zinc/09/52/57/721095257.db2.gz SCEVPYIQRXFEMU-CABCVRRESA-N 1 1 383.887 2.370 20 0 GEADMO COc1nc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762768 721096523 /nfs/dbraw/zinc/09/65/23/721096523.db2.gz 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CS(=O)(=O)CC1(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000176687551 532145747 /nfs/dbraw/zinc/14/57/47/532145747.db2.gz SMFRRRZHGCRJGC-OAHLLOKOSA-N 1 1 384.567 2.291 20 0 GEADMO CS(=O)(=O)CC1(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000176687551 532145751 /nfs/dbraw/zinc/14/57/51/532145751.db2.gz SMFRRRZHGCRJGC-OAHLLOKOSA-N 1 1 384.567 2.291 20 0 GEADMO C/C(=C\C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000176720396 532147523 /nfs/dbraw/zinc/14/75/23/532147523.db2.gz QZIPNAOSMSHLHL-ZQHYZAEZSA-N 1 1 384.929 2.321 20 0 GEADMO COc1ccc(Br)c(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000128721555 532166880 /nfs/dbraw/zinc/16/68/80/532166880.db2.gz CTXIOSLTKWIRTK-INIZCTEOSA-N 1 1 385.302 2.431 20 0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000177024807 532159547 /nfs/dbraw/zinc/15/95/47/532159547.db2.gz FKTOUVOWSHZWQC-UHFFFAOYSA-N 1 1 386.290 2.243 20 0 GEADMO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CCC[N@@H+](C)C1 ZINC000177074849 532160740 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C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000128442109 532165075 /nfs/dbraw/zinc/16/50/75/532165075.db2.gz FPSNHIHGEYJGKQ-MNOVXSKESA-N 1 1 398.248 2.380 20 0 GEADMO C[C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[N@@H+](C)C1CC1 ZINC000177727950 532180388 /nfs/dbraw/zinc/18/03/88/532180388.db2.gz ZTOYDWURYKNRDM-SNVBAGLBSA-N 1 1 398.276 2.076 20 0 GEADMO COc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000129677457 532181465 /nfs/dbraw/zinc/18/14/65/532181465.db2.gz LQAKVQJPLVDEFS-NWDGAFQWSA-N 1 1 386.290 2.377 20 0 GEADMO CC[N@@H+](CCCN1C(=O)CNC1=O)CCOc1ccc(Br)cc1 ZINC000129710171 532183319 /nfs/dbraw/zinc/18/33/19/532183319.db2.gz AZFNIHHASNBFKC-UHFFFAOYSA-N 1 1 384.274 2.092 20 0 GEADMO CCn1c(C[N@@H+]2CCCSCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000129144252 532172724 /nfs/dbraw/zinc/17/27/24/532172724.db2.gz JFVWRPFRYJRSLO-UHFFFAOYSA-N 1 1 382.555 2.245 20 0 GEADMO CCn1c(C[N@H+]2CCCSCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000129144252 532172734 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Cc1cc(=O)n2nc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)sc2n1 ZINC000134280313 532254055 /nfs/dbraw/zinc/25/40/55/532254055.db2.gz QACOYLDURAHVQE-UHFFFAOYSA-N 1 1 378.885 2.497 20 0 GEADMO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000134149675 532251156 /nfs/dbraw/zinc/25/11/56/532251156.db2.gz ZABFDFBXRFPJHM-CYBMUJFWSA-N 1 1 382.302 2.496 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)C ZINC000133546477 532237881 /nfs/dbraw/zinc/23/78/81/532237881.db2.gz PJWLOKBZLJVSLQ-UHFFFAOYSA-N 1 1 384.278 2.142 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)sc1Br ZINC000180110731 532258266 /nfs/dbraw/zinc/25/82/66/532258266.db2.gz DZIKHJPFAAVGEK-GHMZBOCLSA-N 1 1 394.360 2.319 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)Cn2cc(Br)ccc2=O)[C@@H]1c1ccccc1 ZINC000180189094 532260416 /nfs/dbraw/zinc/26/04/16/532260416.db2.gz VTGDBJWQYVUAHZ-YJBOKZPZSA-N 1 1 390.281 2.172 20 0 GEADMO C[C@H]([NH2+]CC(=O)NC1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000180477590 532272245 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Cn1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(-c2cccs2)n1 ZINC000180756273 532280682 /nfs/dbraw/zinc/28/06/82/532280682.db2.gz KHHUCNMCXLGRRV-OAHLLOKOSA-N 1 1 380.539 2.149 20 0 GEADMO C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136464685 532284526 /nfs/dbraw/zinc/28/45/26/532284526.db2.gz JXQISXUPLSOFLX-BRWVUGGUSA-N 1 1 384.929 2.021 20 0 GEADMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)nc1 ZINC000180886407 532285060 /nfs/dbraw/zinc/28/50/60/532285060.db2.gz ZPBRMBAKQMUTDG-ZDUSSCGKSA-N 1 1 383.901 2.199 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180490833 532272949 /nfs/dbraw/zinc/27/29/49/532272949.db2.gz MMLFICSLTSTHDG-CQSZACIVSA-N 1 1 386.323 2.472 20 0 GEADMO C[C@@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000135434003 532273208 /nfs/dbraw/zinc/27/32/08/532273208.db2.gz ZEYISWPLECEOSU-SWLSCSKDSA-N 1 1 383.286 2.010 20 0 GEADMO O=c1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)nc2ccc(Cl)cn12 ZINC000140976753 532294818 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ZINC000515770296 532372237 /nfs/dbraw/zinc/37/22/37/532372237.db2.gz CLEPQAUMHFNFIC-UHFFFAOYSA-N 1 1 380.242 2.500 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3cc(Cl)cc(Cl)c3c2=O)C[C@H](C)O1 ZINC000647611813 532378609 /nfs/dbraw/zinc/37/86/09/532378609.db2.gz NOURWIZMJBRWLI-NTZNESFSSA-N 1 1 386.279 2.173 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3cc(Cl)cc(Cl)c3c2=O)C[C@H](C)O1 ZINC000647611813 532378611 /nfs/dbraw/zinc/37/86/11/532378611.db2.gz NOURWIZMJBRWLI-NTZNESFSSA-N 1 1 386.279 2.173 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)[C@@H]2C1 ZINC000425213669 532375678 /nfs/dbraw/zinc/37/56/78/532375678.db2.gz HHEIGIZHSMFEKA-SWLSCSKDSA-N 1 1 391.306 2.444 20 0 GEADMO CCC(CC)[C@@H](CNC(=O)c1cc(Br)nn1C)[NH+]1CCOCC1 ZINC000191926232 532375923 /nfs/dbraw/zinc/37/59/23/532375923.db2.gz MMMLRKNUNLIEGJ-CQSZACIVSA-N 1 1 387.322 2.049 20 0 GEADMO COC(=O)c1coc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000278387591 532376314 /nfs/dbraw/zinc/37/63/14/532376314.db2.gz 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GEADMO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000425071771 532364064 /nfs/dbraw/zinc/36/40/64/532364064.db2.gz ZWAYPTIZQPIGEB-WMLDXEAASA-N 1 1 384.929 2.447 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000425071771 532364071 /nfs/dbraw/zinc/36/40/71/532364071.db2.gz ZWAYPTIZQPIGEB-WMLDXEAASA-N 1 1 384.929 2.447 20 0 GEADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)c[nH]c1=O ZINC000621656599 532364975 /nfs/dbraw/zinc/36/49/75/532364975.db2.gz SQIIJULDWIAPCK-CQSZACIVSA-N 1 1 392.253 2.345 20 0 GEADMO O[C@@H]1COC[C@@H]1[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000463074923 532365058 /nfs/dbraw/zinc/36/50/58/532365058.db2.gz VSWLEKXRDKGEOU-UONOGXRCSA-N 1 1 395.219 2.350 20 0 GEADMO O=S(=O)(c1cccs1)N1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000371981618 532365328 /nfs/dbraw/zinc/36/53/28/532365328.db2.gz YCEPNXGIHJDCKM-UHFFFAOYSA-N 1 1 383.583 2.365 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(CO)CC1 ZINC000294530183 532366220 /nfs/dbraw/zinc/36/62/20/532366220.db2.gz HCUPJMYRDNPKAL-GFCCVEGCSA-N 1 1 385.302 2.167 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC000515495068 532366388 /nfs/dbraw/zinc/36/63/88/532366388.db2.gz DFRQQIVNPPNCTO-INIZCTEOSA-N 1 1 389.309 2.492 20 0 GEADMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000277945821 532366997 /nfs/dbraw/zinc/36/69/97/532366997.db2.gz RHAZOMMOPPPDMV-CYBMUJFWSA-N 1 1 376.906 2.128 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000677196745 532367894 /nfs/dbraw/zinc/36/78/94/532367894.db2.gz VEMQFXWDYWFXPQ-CZUORRHYSA-N 1 1 381.929 2.408 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ncc1Br ZINC000278014018 532369195 /nfs/dbraw/zinc/36/91/95/532369195.db2.gz BZNZADBOFXJVAY-ZDUSSCGKSA-N 1 1 395.301 2.224 20 0 GEADMO OC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CCC1(F)F ZINC000463227281 532370424 /nfs/dbraw/zinc/37/04/24/532370424.db2.gz FMJQEUBRAXFKKC-DGCLKSJQSA-N 1 1 380.229 2.138 20 0 GEADMO O=S(=O)(NCC[NH2+]Cc1cn2cccc(F)c2n1)c1ccc(Cl)s1 ZINC000677322371 532372094 /nfs/dbraw/zinc/37/20/94/532372094.db2.gz CUFUMSOURDEHLF-UHFFFAOYSA-N 1 1 388.877 2.256 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000677598993 532378842 /nfs/dbraw/zinc/37/88/42/532378842.db2.gz MKMHKSHFFRIWMG-UHFFFAOYSA-N 1 1 387.293 2.436 20 0 GEADMO CC(C)(CO)[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000677648524 532378880 /nfs/dbraw/zinc/37/88/80/532378880.db2.gz HUGVGKJUYXUXQW-UHFFFAOYSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Cl)cc1I ZINC000278409846 532378999 /nfs/dbraw/zinc/37/89/99/532378999.db2.gz HMWCFYLBIUBLMX-MRVPVSSYSA-N 1 1 387.670 2.467 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)CCOc2cccc(I)c2)C1 ZINC000278421664 532379975 /nfs/dbraw/zinc/37/99/75/532379975.db2.gz IOXBHRBGFQTZLZ-LBPRGKRZSA-N 1 1 388.249 2.128 20 0 GEADMO O=C(CCCOc1ccccc1Br)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647707005 532380338 /nfs/dbraw/zinc/38/03/38/532380338.db2.gz UWHVVNUUJAMFDO-HUUCEWRRSA-N 1 1 397.313 2.276 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278418170 532380399 /nfs/dbraw/zinc/38/03/99/532380399.db2.gz QFNLOPQEUZNGTJ-ZDUSSCGKSA-N 1 1 388.917 2.222 20 0 GEADMO COc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278418170 532380406 /nfs/dbraw/zinc/38/04/06/532380406.db2.gz QFNLOPQEUZNGTJ-ZDUSSCGKSA-N 1 1 388.917 2.222 20 0 GEADMO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000677688117 532380686 /nfs/dbraw/zinc/38/06/86/532380686.db2.gz SRXOBLJAOZSFRN-NSHDSACASA-N 1 1 377.409 2.273 20 0 GEADMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000677688117 532380691 /nfs/dbraw/zinc/38/06/91/532380691.db2.gz SRXOBLJAOZSFRN-NSHDSACASA-N 1 1 377.409 2.273 20 0 GEADMO Cn1cc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc(Br)c1=O ZINC000372295978 532381374 /nfs/dbraw/zinc/38/13/74/532381374.db2.gz BSTALNZKEQPPRH-OAHLLOKOSA-N 1 1 391.269 2.456 20 0 GEADMO Cn1cc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc(Br)c1=O ZINC000372295978 532381379 /nfs/dbraw/zinc/38/13/79/532381379.db2.gz BSTALNZKEQPPRH-OAHLLOKOSA-N 1 1 391.269 2.456 20 0 GEADMO O=C(Nc1cncc(Br)c1)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000372296948 532381939 /nfs/dbraw/zinc/38/19/39/532381939.db2.gz GHJOKEFIBGKTOU-HUUCEWRRSA-N 1 1 383.290 2.297 20 0 GEADMO COC(=O)C[C@]1([NH2+]Cc2cc(OC)c(OC)cc2Br)CCOC1 ZINC000463734886 532382387 /nfs/dbraw/zinc/38/23/87/532382387.db2.gz YXGCGQCSERKDMV-MRXNPFEDSA-N 1 1 388.258 2.278 20 0 GEADMO CC(=O)N(C)C1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192072184 532382942 /nfs/dbraw/zinc/38/29/42/532382942.db2.gz JDNAXMIQGRLFDO-QGZVFWFLSA-N 1 1 394.313 2.497 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(F)cc1 ZINC000647896222 532384236 /nfs/dbraw/zinc/38/42/36/532384236.db2.gz BAMUZHFHAJPFRC-LLVKDONJSA-N 1 1 380.367 2.149 20 0 GEADMO OC[C@H]1CCCN1Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CO ZINC000192072928 532384459 /nfs/dbraw/zinc/38/44/59/532384459.db2.gz ZYYOKHXLNQVZNX-QZTJIDSGSA-N 1 1 383.330 2.363 20 0 GEADMO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677867654 532384577 /nfs/dbraw/zinc/38/45/77/532384577.db2.gz MWIDBRFDGHPGFU-NSHDSACASA-N 1 1 396.314 2.229 20 0 GEADMO O=C1[C@@H]([N@@H+]2CCC[C@H](n3cncn3)C2)CCN1c1cccc(Br)c1 ZINC000192073001 532385012 /nfs/dbraw/zinc/38/50/12/532385012.db2.gz QWUHFNGSBYKPEM-HOTGVXAUSA-N 1 1 390.285 2.483 20 0 GEADMO O=C1[C@@H]([N@H+]2CCC[C@H](n3cncn3)C2)CCN1c1cccc(Br)c1 ZINC000192073001 532385017 /nfs/dbraw/zinc/38/50/17/532385017.db2.gz QWUHFNGSBYKPEM-HOTGVXAUSA-N 1 1 390.285 2.483 20 0 GEADMO OCCC[N@H+](Cc1ccccn1)C[C@H](O)COc1ccc(Br)cc1 ZINC000558105327 532385779 /nfs/dbraw/zinc/38/57/79/532385779.db2.gz CWOWOHSLSPOYPQ-KRWDZBQOSA-N 1 1 395.297 2.468 20 0 GEADMO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590793834 532387430 /nfs/dbraw/zinc/38/74/30/532387430.db2.gz SJOTXQPRNHYITJ-CQSZACIVSA-N 1 1 376.881 2.355 20 0 GEADMO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000590793834 532387432 /nfs/dbraw/zinc/38/74/32/532387432.db2.gz SJOTXQPRNHYITJ-CQSZACIVSA-N 1 1 376.881 2.355 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000623366956 532387514 /nfs/dbraw/zinc/38/75/14/532387514.db2.gz QJEYYZUDRUQZLV-HYVNUMGLSA-N 1 1 379.298 2.173 20 0 GEADMO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)ncc1Br ZINC000623436132 532389553 /nfs/dbraw/zinc/38/95/53/532389553.db2.gz GEENOWOOCJFPMK-NHYWBVRUSA-N 1 1 378.274 2.170 20 0 GEADMO COCCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000295003993 532395713 /nfs/dbraw/zinc/39/57/13/532395713.db2.gz RUNOISWMCDGRJO-IAOVAPTHSA-N 1 1 388.302 2.235 20 0 GEADMO COCCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000295003993 532395720 /nfs/dbraw/zinc/39/57/20/532395720.db2.gz RUNOISWMCDGRJO-IAOVAPTHSA-N 1 1 388.302 2.235 20 0 GEADMO O=C(Nc1cnc2c(Br)cccn12)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000425677026 532390439 /nfs/dbraw/zinc/39/04/39/532390439.db2.gz UYIOGKQECAAZKF-LBPRGKRZSA-N 1 1 396.289 2.065 20 0 GEADMO O=S(=O)(NC1CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000558383856 532390691 /nfs/dbraw/zinc/39/06/91/532390691.db2.gz HKWNIJSEVKFGHK-UHFFFAOYSA-N 1 1 377.432 2.210 20 0 GEADMO CCOc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)cc(Cl)c1OC ZINC000678296923 532390723 /nfs/dbraw/zinc/39/07/23/532390723.db2.gz HLQWBCUSIRPCEO-UHFFFAOYSA-N 1 1 376.906 2.215 20 0 GEADMO CCOc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc(Cl)c1OC ZINC000678296923 532390732 /nfs/dbraw/zinc/39/07/32/532390732.db2.gz HLQWBCUSIRPCEO-UHFFFAOYSA-N 1 1 376.906 2.215 20 0 GEADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@@H]1c1cccnc1 ZINC000372431716 532391900 /nfs/dbraw/zinc/39/19/00/532391900.db2.gz ORQKSIOPIXRPHL-RDJZCZTQSA-N 1 1 380.901 2.242 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)[N@@H+](C)C1CC1 ZINC000425743240 532392774 /nfs/dbraw/zinc/39/27/74/532392774.db2.gz NQMMUQUHMJFBHV-VIFPVBQESA-N 1 1 375.803 2.479 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000425746488 532393018 /nfs/dbraw/zinc/39/30/18/532393018.db2.gz UHTYTMHXOCVISH-GXSJLCMTSA-N 1 1 375.803 2.479 20 0 GEADMO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000516836560 532393336 /nfs/dbraw/zinc/39/33/36/532393336.db2.gz DIDWAOYVGAYZCH-HOTGVXAUSA-N 1 1 392.297 2.297 20 0 GEADMO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000516836560 532393341 /nfs/dbraw/zinc/39/33/41/532393341.db2.gz DIDWAOYVGAYZCH-HOTGVXAUSA-N 1 1 392.297 2.297 20 0 GEADMO C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)n1cc(Br)cn1 ZINC000648326246 532394394 /nfs/dbraw/zinc/39/43/94/532394394.db2.gz AYMZWDGJNHBUOO-BMFZPTHFSA-N 1 1 399.333 2.356 20 0 GEADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000295017990 532398089 /nfs/dbraw/zinc/39/80/89/532398089.db2.gz YVBLQPGLSIERDW-KRWDZBQOSA-N 1 1 388.339 2.417 20 0 GEADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nnnn1C1CC1 ZINC000678593183 532399578 /nfs/dbraw/zinc/39/95/78/532399578.db2.gz PIJGZYXWRSFIKF-SNVBAGLBSA-N 1 1 379.262 2.277 20 0 GEADMO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678628256 532399815 /nfs/dbraw/zinc/39/98/15/532399815.db2.gz HSCRKRVJYBOKSQ-CABCVRRESA-N 1 1 375.296 2.140 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000678773685 532400528 /nfs/dbraw/zinc/40/05/28/532400528.db2.gz QXCKGFZUBAFZQR-SMDDNHRTSA-N 1 1 378.416 2.224 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000624631490 532400843 /nfs/dbraw/zinc/40/08/43/532400843.db2.gz GFTBSXIBYWJWRK-INIZCTEOSA-N 1 1 383.290 2.090 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(OC)c(O)c2Br)C1 ZINC000295066252 532400874 /nfs/dbraw/zinc/40/08/74/532400874.db2.gz OWVPCPNOCMJRGO-MRXNPFEDSA-N 1 1 388.258 2.175 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(OC)c(O)c2Br)C1 ZINC000295066252 532400878 /nfs/dbraw/zinc/40/08/78/532400878.db2.gz OWVPCPNOCMJRGO-MRXNPFEDSA-N 1 1 388.258 2.175 20 0 GEADMO 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Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000236716410 532495545 /nfs/dbraw/zinc/49/55/45/532495545.db2.gz CQFMJTAGYHDAQY-UHFFFAOYSA-N 1 1 384.933 2.500 20 0 GEADMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651548811 532474778 /nfs/dbraw/zinc/47/47/78/532474778.db2.gz MNCLMDLBUUBCMH-UHFFFAOYSA-N 1 1 388.386 2.310 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc[nH]c(=O)c2Br)C[C@H](C)O1 ZINC000468806237 532475218 /nfs/dbraw/zinc/47/52/18/532475218.db2.gz CTXOAYPIIGAPNH-XQQFMLRXSA-N 1 1 398.301 2.264 20 0 GEADMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000429370204 532475690 /nfs/dbraw/zinc/47/56/90/532475690.db2.gz DMIPGYGVRBMYJL-RYUDHWBXSA-N 1 1 382.309 2.100 20 0 GEADMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000429370204 532475694 /nfs/dbraw/zinc/47/56/94/532475694.db2.gz DMIPGYGVRBMYJL-RYUDHWBXSA-N 1 1 382.309 2.100 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cc2[nH]cnc21 ZINC000282545221 532476115 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O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000629914451 532504610 /nfs/dbraw/zinc/50/46/10/532504610.db2.gz UMFYPYYSPVQHOD-LBPRGKRZSA-N 1 1 378.885 2.078 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCOc2ccc(Br)cc21 ZINC000652380546 532509799 /nfs/dbraw/zinc/50/97/99/532509799.db2.gz ZIWJIBJXHBANJB-GJZGRUSLSA-N 1 1 397.313 2.278 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCn1cc(Br)ccc1=O ZINC000563864301 532511538 /nfs/dbraw/zinc/51/15/38/532511538.db2.gz FSJBJWLMKHVPCY-KGLIPLIRSA-N 1 1 399.333 2.030 20 0 GEADMO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1csc(C[NH3+])n1 ZINC000237703161 532512108 /nfs/dbraw/zinc/51/21/08/532512108.db2.gz OUKDKCFFOVYDJY-UHFFFAOYSA-N 1 1 376.507 2.352 20 0 GEADMO C[C@H](Cn1cc(Br)cn1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296300333 532512274 /nfs/dbraw/zinc/51/22/74/532512274.db2.gz FXERDOZYMNNCCD-HZSPNIEDSA-N 1 1 377.286 2.315 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1cccc(I)c1 ZINC000469796422 532512401 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C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735538935 598248413 /nfs/dbraw/zinc/24/84/13/598248413.db2.gz YVGUSRGDMWFMCW-CQSZACIVSA-N 1 1 384.484 2.157 20 0 GEADMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908622 598250013 /nfs/dbraw/zinc/25/00/13/598250013.db2.gz HBXCISNCTBRLNA-UNEWFSDZSA-N 1 1 380.452 2.426 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000738385992 598251615 /nfs/dbraw/zinc/25/16/15/598251615.db2.gz KMECFHWCBNJRHM-OAHLLOKOSA-N 1 1 390.447 2.146 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000738385992 598251616 /nfs/dbraw/zinc/25/16/16/598251616.db2.gz KMECFHWCBNJRHM-OAHLLOKOSA-N 1 1 390.447 2.146 20 0 GEADMO CC(C)COC(=O)N1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735839526 598254749 /nfs/dbraw/zinc/25/47/49/598254749.db2.gz XGHLELBEDUITKR-UHFFFAOYSA-N 1 1 388.472 2.046 20 0 GEADMO c1cc(-c2noc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)n2)co1 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CC[N@H+]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736569325 598357773 /nfs/dbraw/zinc/35/77/73/598357773.db2.gz FXJDBQDVRJVUCJ-INIZCTEOSA-N 1 1 396.451 2.253 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145935 598363735 /nfs/dbraw/zinc/36/37/35/598363735.db2.gz DSZPYLHLRMOBJE-SJORKVTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145935 598363737 /nfs/dbraw/zinc/36/37/37/598363737.db2.gz DSZPYLHLRMOBJE-SJORKVTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145935 598363739 /nfs/dbraw/zinc/36/37/39/598363739.db2.gz DSZPYLHLRMOBJE-SJORKVTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145929 598363992 /nfs/dbraw/zinc/36/39/92/598363992.db2.gz DSZPYLHLRMOBJE-DLBZAZTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145929 598363994 /nfs/dbraw/zinc/36/39/94/598363994.db2.gz DSZPYLHLRMOBJE-DLBZAZTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145929 598363996 /nfs/dbraw/zinc/36/39/96/598363996.db2.gz DSZPYLHLRMOBJE-DLBZAZTESA-N 1 1 392.507 2.421 20 0 GEADMO C[C@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736291006 598364379 /nfs/dbraw/zinc/36/43/79/598364379.db2.gz TVVZPCDKXVLTLZ-YWZLYKJASA-N 1 1 396.470 2.246 20 0 GEADMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736821898 598366900 /nfs/dbraw/zinc/36/69/00/598366900.db2.gz HUWWBYLLMXQLSI-QGZVFWFLSA-N 1 1 394.483 2.224 20 0 GEADMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737510745 598368421 /nfs/dbraw/zinc/36/84/21/598368421.db2.gz NABFENKVJFJDPX-PBHICJAKSA-N 1 1 394.483 2.381 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000735559890 598373915 /nfs/dbraw/zinc/37/39/15/598373915.db2.gz ASJSEQOEFURHJL-CYBMUJFWSA-N 1 1 378.436 2.000 20 0 GEADMO C[N@H+]1CCCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)CC1 ZINC000736861081 598375862 /nfs/dbraw/zinc/37/58/62/598375862.db2.gz YGEHAHUZAAAVRU-UHFFFAOYSA-N 1 1 398.496 2.083 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000738387885 598376128 /nfs/dbraw/zinc/37/61/28/598376128.db2.gz QAIRNLMUVCVEQW-GOSISDBHSA-N 1 1 383.427 2.410 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000737246936 598393845 /nfs/dbraw/zinc/39/38/45/598393845.db2.gz VXUSKRHEQBCUNH-UHFFFAOYSA-N 1 1 399.405 2.119 20 0 GEADMO O=C(C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737880120 598396474 /nfs/dbraw/zinc/39/64/74/598396474.db2.gz YXTIPRFREFWOPF-ICSRJNTNSA-N 1 1 392.463 2.393 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 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/nfs/dbraw/zinc/52/34/39/598523439.db2.gz OWKXHHFNLYWFNR-UHFFFAOYSA-N 1 1 379.468 2.036 20 0 GEADMO C[C@](O)(C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000736135576 598523504 /nfs/dbraw/zinc/52/35/04/598523504.db2.gz BQHVTMDCODWQSM-NRFANRHFSA-N 1 1 378.480 2.287 20 0 GEADMO CC[N@H+]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736568995 598557451 /nfs/dbraw/zinc/55/74/51/598557451.db2.gz HALGDQBEFHDZKH-UHFFFAOYSA-N 1 1 396.451 2.207 20 0 GEADMO Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737271078 598561831 /nfs/dbraw/zinc/56/18/31/598561831.db2.gz IKUALTBSMWEWOF-MRXNPFEDSA-N 1 1 393.455 2.064 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000737501455 598562746 /nfs/dbraw/zinc/56/27/46/598562746.db2.gz VQDQMDZXGRKQOC-UHFFFAOYSA-N 1 1 392.370 2.185 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000735734903 598613281 /nfs/dbraw/zinc/61/32/81/598613281.db2.gz PREDSCRWFHTISO-LNLFQRSKSA-N 1 1 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C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736861086 598673793 /nfs/dbraw/zinc/67/37/93/598673793.db2.gz YHNGQRZEWIEQNG-HNNXBMFYSA-N 1 1 375.908 2.126 20 0 GEADMO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735838568 598683390 /nfs/dbraw/zinc/68/33/90/598683390.db2.gz GLEBDEGRXKGQMK-UHFFFAOYSA-N 1 1 376.436 2.306 20 0 GEADMO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735838568 598683391 /nfs/dbraw/zinc/68/33/91/598683391.db2.gz GLEBDEGRXKGQMK-UHFFFAOYSA-N 1 1 376.436 2.306 20 0 GEADMO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000737833398 598685710 /nfs/dbraw/zinc/68/57/10/598685710.db2.gz QVDFGOVFYUQJIK-OAHLLOKOSA-N 1 1 384.484 2.016 20 0 GEADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738027195 598685965 /nfs/dbraw/zinc/68/59/65/598685965.db2.gz XBMYOGHGFSKDGJ-HNNXBMFYSA-N 1 1 391.435 2.021 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736571448 598694545 /nfs/dbraw/zinc/69/45/45/598694545.db2.gz RNSZBLNGMZQYCS-MAUKXSAKSA-N 1 1 386.500 2.261 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736020673 598704631 /nfs/dbraw/zinc/70/46/31/598704631.db2.gz TXGVPKVHPYSOIF-ZDUSSCGKSA-N 1 1 385.472 2.464 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737194705 598708037 /nfs/dbraw/zinc/70/80/37/598708037.db2.gz RBICSEIUIDWIET-MRXNPFEDSA-N 1 1 391.479 2.012 20 0 GEADMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000737489600 598708274 /nfs/dbraw/zinc/70/82/74/598708274.db2.gz ZQFBMHSJKVPBEJ-MRXNPFEDSA-N 1 1 397.508 2.257 20 0 GEADMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000737489600 598708275 /nfs/dbraw/zinc/70/82/75/598708275.db2.gz ZQFBMHSJKVPBEJ-MRXNPFEDSA-N 1 1 397.508 2.257 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000736637903 598760503 /nfs/dbraw/zinc/76/05/03/598760503.db2.gz 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CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735585878 598796504 /nfs/dbraw/zinc/79/65/04/598796504.db2.gz HCHIMCAFTFDLKQ-OAHLLOKOSA-N 1 1 386.500 2.120 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736848955 598814493 /nfs/dbraw/zinc/81/44/93/598814493.db2.gz POQJNSBWCZUGMT-OAHLLOKOSA-N 1 1 392.463 2.127 20 0 GEADMO c1cc(N2CCCC2)nc(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)[nH+]1 ZINC000738413466 598817283 /nfs/dbraw/zinc/81/72/83/598817283.db2.gz RNDGQSVHCMHELT-UHFFFAOYSA-N 1 1 392.467 2.305 20 0 GEADMO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000736701389 599292635 /nfs/dbraw/zinc/29/26/35/599292635.db2.gz BFVPWJDSIYJLQX-KRWDZBQOSA-N 1 1 395.467 2.040 20 0 GEADMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000736196530 599308878 /nfs/dbraw/zinc/30/88/78/599308878.db2.gz JCIUXAVDGAUZID-MRXNPFEDSA-N 1 1 391.479 2.184 20 0 GEADMO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccc(-c3nn[nH]n3)cc1)C[C@H]2O 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CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000820995901 599531774 /nfs/dbraw/zinc/53/17/74/599531774.db2.gz ZYUVKSNGRHNVNW-WCQYABFASA-N 1 1 384.406 2.167 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)n1 ZINC000822193207 599531820 /nfs/dbraw/zinc/53/18/20/599531820.db2.gz OQOONKNLIVOGAR-FUHWJXTLSA-N 1 1 393.495 2.123 20 0 GEADMO CC(C)n1ccnc1C[N@@H+]1CCCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820215053 599532793 /nfs/dbraw/zinc/53/27/93/599532793.db2.gz QZFYZZBBEAEXJE-UHFFFAOYSA-N 1 1 384.463 2.496 20 0 GEADMO CC(C)n1ccnc1C[N@H+]1CCCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820215053 599532795 /nfs/dbraw/zinc/53/27/95/599532795.db2.gz QZFYZZBBEAEXJE-UHFFFAOYSA-N 1 1 384.463 2.496 20 0 GEADMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995633 599536451 /nfs/dbraw/zinc/53/64/51/599536451.db2.gz VIBZNKNAYMFIQM-AWEZNQCLSA-N 1 1 386.891 2.317 20 0 GEADMO COc1cccc([C@H](O)CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)c1 ZINC000821863448 599550100 /nfs/dbraw/zinc/55/01/00/599550100.db2.gz KKQRIWTWKDBKAH-QGZVFWFLSA-N 1 1 376.420 2.299 20 0 GEADMO O=C(NCCCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1cccc(F)c1 ZINC000823191769 599551218 /nfs/dbraw/zinc/55/12/18/599551218.db2.gz OLFKXZKPSJVGAQ-UHFFFAOYSA-N 1 1 391.410 2.208 20 0 GEADMO C[NH+](C)CCC1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821584518 599567338 /nfs/dbraw/zinc/56/73/38/599567338.db2.gz HSLFDPJTGACEPL-UHFFFAOYSA-N 1 1 382.472 2.080 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000736181793 599574939 /nfs/dbraw/zinc/57/49/39/599574939.db2.gz APUIZCXLDXEJFP-HNNXBMFYSA-N 1 1 384.484 2.111 20 0 GEADMO C[C@H](O)C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000820479661 599578013 /nfs/dbraw/zinc/57/80/13/599578013.db2.gz AMBUBRDMCACCTL-AWEZNQCLSA-N 1 1 391.435 2.300 20 0 GEADMO C[C@H](O)C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000820479661 599578017 /nfs/dbraw/zinc/57/80/17/599578017.db2.gz AMBUBRDMCACCTL-AWEZNQCLSA-N 1 1 391.435 2.300 20 0 GEADMO c1cn([C@H]2CCC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000738446376 599579784 /nfs/dbraw/zinc/57/97/84/599579784.db2.gz WUEGRUPHUFPRNN-KRWDZBQOSA-N 1 1 375.440 2.221 20 0 GEADMO c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000738446376 599579785 /nfs/dbraw/zinc/57/97/85/599579785.db2.gz WUEGRUPHUFPRNN-KRWDZBQOSA-N 1 1 375.440 2.221 20 0 GEADMO CC[C@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736401342 599581338 /nfs/dbraw/zinc/58/13/38/599581338.db2.gz IOHGNAVZFQJBGH-HNNXBMFYSA-N 1 1 397.483 2.101 20 0 GEADMO c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738418457 599587730 /nfs/dbraw/zinc/58/77/30/599587730.db2.gz IKLFNAOYHKAESL-MRXNPFEDSA-N 1 1 390.451 2.168 20 0 GEADMO C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736291493 599591586 /nfs/dbraw/zinc/59/15/86/599591586.db2.gz AZYCTMALDOLJJZ-SNVBAGLBSA-N 1 1 378.527 2.183 20 0 GEADMO O=C(CCN1CCC[N@H+](C2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843251 599592087 /nfs/dbraw/zinc/59/20/87/599592087.db2.gz JVGAPGOCZVHWGF-UHFFFAOYSA-N 1 1 389.529 2.207 20 0 GEADMO O=C(CC[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964014 599639031 /nfs/dbraw/zinc/63/90/31/599639031.db2.gz CHSUHKPFZDUEQH-IBGZPJMESA-N 1 1 392.463 2.177 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[N@@H+](C)CC[C@H](C)O ZINC000820473748 599639796 /nfs/dbraw/zinc/63/97/96/599639796.db2.gz LCUXWXYJKWKPAR-NWDGAFQWSA-N 1 1 392.529 2.227 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[N@H+](C)CC[C@H](C)O ZINC000820473748 599639797 /nfs/dbraw/zinc/63/97/97/599639797.db2.gz LCUXWXYJKWKPAR-NWDGAFQWSA-N 1 1 392.529 2.227 20 0 GEADMO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993325 599641991 /nfs/dbraw/zinc/64/19/91/599641991.db2.gz REGAAHJVXHLPNZ-KRWDZBQOSA-N 1 1 392.463 2.344 20 0 GEADMO Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(-c4nn[nH]n4)cc3C)C2)nc(C)[nH+]1 ZINC000826269747 607401905 /nfs/dbraw/zinc/40/19/05/607401905.db2.gz VVJFKSRDHQJSMQ-MRXNPFEDSA-N 1 1 393.451 2.408 20 0 GEADMO O=C([O-])C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000262647204 599966165 /nfs/dbraw/zinc/96/61/65/599966165.db2.gz KLNNQZBWFCTFOB-UHFFFAOYSA-N 1 1 395.503 2.281 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C2(C(=O)[O-])CCCCC2)CC1 ZINC000738770362 600148328 /nfs/dbraw/zinc/14/83/28/600148328.db2.gz HSVWOGZPIPELQL-UHFFFAOYSA-N 1 1 387.524 2.406 20 0 GEADMO C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000737362381 600360204 /nfs/dbraw/zinc/36/02/04/600360204.db2.gz VJUTYOHLBUVBBC-QGZVFWFLSA-N 1 1 381.904 2.246 20 0 GEADMO CC(=O)C(C)(C)CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819782012 607446008 /nfs/dbraw/zinc/44/60/08/607446008.db2.gz HOEMYXLQNXBRBF-UHFFFAOYSA-N 1 1 398.511 2.296 20 0 GEADMO CC(=O)C(C)(C)CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819782012 607446009 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VJSSKHYXQSDYSM-UHFFFAOYSA-N 1 1 378.864 2.207 20 0 GEADMO COC[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1 ZINC000826150878 608478256 /nfs/dbraw/zinc/47/82/56/608478256.db2.gz NTAOSXSADYKZRK-INIZCTEOSA-N 1 1 386.843 2.436 20 0 GEADMO CN(C)c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825879906 608508608 /nfs/dbraw/zinc/50/86/08/608508608.db2.gz SFJSXZKBQULDKW-UHFFFAOYSA-N 1 1 392.511 2.036 20 0 GEADMO COc1ccc2oc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)cc2c1 ZINC000826213696 608508784 /nfs/dbraw/zinc/50/87/84/608508784.db2.gz ISVXZBSMMGGPOO-UHFFFAOYSA-N 1 1 391.435 2.339 20 0 GEADMO O=S(=O)(CC[NH2+]C1(c2cccc(F)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826485324 608537266 /nfs/dbraw/zinc/53/72/66/608537266.db2.gz LPIIFLKQWMXURT-UHFFFAOYSA-N 1 1 387.440 2.058 20 0 GEADMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826133557 608545854 /nfs/dbraw/zinc/54/58/54/608545854.db2.gz NHQPFMAKTKEZKO-SFHVURJKSA-N 1 1 393.447 2.441 20 0 GEADMO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000824806882 608562166 /nfs/dbraw/zinc/56/21/66/608562166.db2.gz DQKYNSHTGFEWLT-UHFFFAOYSA-N 1 1 384.406 2.204 20 0 GEADMO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000824806882 608562167 /nfs/dbraw/zinc/56/21/67/608562167.db2.gz DQKYNSHTGFEWLT-UHFFFAOYSA-N 1 1 384.406 2.204 20 0 GEADMO CN(CC[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000825938099 608583239 /nfs/dbraw/zinc/58/32/39/608583239.db2.gz OPJYALSDWBKKDE-UHFFFAOYSA-N 1 1 385.472 2.418 20 0 GEADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000824975342 608593849 /nfs/dbraw/zinc/59/38/49/608593849.db2.gz JVXHIZNMCZVVLG-UONOGXRCSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000824975342 608593853 /nfs/dbraw/zinc/59/38/53/608593853.db2.gz JVXHIZNMCZVVLG-UONOGXRCSA-N 1 1 396.451 2.203 20 0 GEADMO CC(=O)Nc1ccccc1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000824005394 608594360 /nfs/dbraw/zinc/59/43/60/608594360.db2.gz QEYFPPUMYPSEBY-UHFFFAOYSA-N 1 1 395.442 2.286 20 0 GEADMO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826060956 608608837 /nfs/dbraw/zinc/60/88/37/608608837.db2.gz XHNMPECMMBCPST-LJQANCHMSA-N 1 1 392.463 2.156 20 0 GEADMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060679 608608913 /nfs/dbraw/zinc/60/89/13/608608913.db2.gz QPJGAYHDWQFTIW-IBGZPJMESA-N 1 1 392.463 2.156 20 0 GEADMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)c(-c2nn[nH]n2)c1C ZINC000826349813 608642743 /nfs/dbraw/zinc/64/27/43/608642743.db2.gz VRGHWMFWSBQHAI-KRWDZBQOSA-N 1 1 378.502 2.111 20 0 GEADMO OCCC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCc2ccccc21 ZINC000826509879 608703885 /nfs/dbraw/zinc/70/38/85/608703885.db2.gz OKIMVCKLYWACMN-IBGZPJMESA-N 1 1 389.463 2.386 20 0 GEADMO CN1CC[C@@H]([N@H+](C)Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1=O ZINC000826022431 608717088 /nfs/dbraw/zinc/71/70/88/608717088.db2.gz MZYSRCZIDCXCTC-LJQANCHMSA-N 1 1 392.463 2.108 20 0 GEADMO CN1CC[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1=O ZINC000826022431 608717090 /nfs/dbraw/zinc/71/70/90/608717090.db2.gz MZYSRCZIDCXCTC-LJQANCHMSA-N 1 1 392.463 2.108 20 0 GEADMO CN1CC[N@@H+](CCCNc2cnccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000826038120 608772196 /nfs/dbraw/zinc/77/21/96/608772196.db2.gz IENMYLOMSUSGMR-IBGZPJMESA-N 1 1 378.484 2.052 20 0 GEADMO C[N@@H+]1CCN(CCCNc2cnccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000826038120 608772198 /nfs/dbraw/zinc/77/21/98/608772198.db2.gz IENMYLOMSUSGMR-IBGZPJMESA-N 1 1 378.484 2.052 20 0 GEADMO C[N@H+]1CCN(CCCNc2cnccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000826038120 608772202 /nfs/dbraw/zinc/77/22/02/608772202.db2.gz IENMYLOMSUSGMR-IBGZPJMESA-N 1 1 378.484 2.052 20 0 GEADMO O[C@@H](C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502354 608802933 /nfs/dbraw/zinc/80/29/33/608802933.db2.gz BMFIJGIUKADTML-XLIONFOSSA-N 1 1 389.463 2.414 20 0 GEADMO O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000273061343 608864443 /nfs/dbraw/zinc/86/44/43/608864443.db2.gz BOHDAPHKNJKCHQ-GOSISDBHSA-N 1 1 378.436 2.003 20 0 GEADMO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577004 609146089 /nfs/dbraw/zinc/14/60/89/609146089.db2.gz FTLOJYYSSDHRFI-YCRPNKLZSA-N 1 1 396.470 2.293 20 0 GEADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000825328534 609220695 /nfs/dbraw/zinc/22/06/95/609220695.db2.gz TYVDCTCQMMUBHE-GOSISDBHSA-N 1 1 378.436 2.264 20 0 GEADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000825328534 609220697 /nfs/dbraw/zinc/22/06/97/609220697.db2.gz TYVDCTCQMMUBHE-GOSISDBHSA-N 1 1 378.436 2.264 20 0 GEADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000825328538 609220933 /nfs/dbraw/zinc/22/09/33/609220933.db2.gz TYVDCTCQMMUBHE-SFHVURJKSA-N 1 1 378.436 2.264 20 0 GEADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000825328538 609220934 /nfs/dbraw/zinc/22/09/34/609220934.db2.gz TYVDCTCQMMUBHE-SFHVURJKSA-N 1 1 378.436 2.264 20 0 GEADMO Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)c(N2CCCC2)[nH+]1 ZINC000826288724 609284438 /nfs/dbraw/zinc/28/44/38/609284438.db2.gz UGFWEFOVVNHMRD-UHFFFAOYSA-N 1 1 377.452 2.409 20 0 GEADMO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000825319118 609296678 /nfs/dbraw/zinc/29/66/78/609296678.db2.gz YYASJOQCNIPMNL-UHFFFAOYSA-N 1 1 379.468 2.381 20 0 GEADMO C[C@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824498135 609298318 /nfs/dbraw/zinc/29/83/18/609298318.db2.gz CDHJTMVHBLHNRE-YOEHRIQHSA-N 1 1 383.500 2.319 20 0 GEADMO C[C@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000824489898 609316055 /nfs/dbraw/zinc/31/60/55/609316055.db2.gz NNRBDDDFSRDPBA-AWEZNQCLSA-N 1 1 381.484 2.191 20 0 GEADMO C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824488272 609316617 /nfs/dbraw/zinc/31/66/17/609316617.db2.gz DRMCRUVNXYWRSV-OAHLLOKOSA-N 1 1 393.495 2.316 20 0 GEADMO COc1cccc([C@H]2[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)CC[N@H+]2C2CC2)c1 ZINC000826215178 609323093 /nfs/dbraw/zinc/32/30/93/609323093.db2.gz IMPUBQPCQUCHKA-YJBOKZPZSA-N 1 1 378.440 2.055 20 0 GEADMO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618239 609324866 /nfs/dbraw/zinc/32/48/66/609324866.db2.gz NPYJZFNRBIQTQC-LLVKDONJSA-N 1 1 390.444 2.228 20 0 GEADMO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1Br)C1CCOCC1 ZINC000826388131 609328409 /nfs/dbraw/zinc/32/84/09/609328409.db2.gz JQYODBCBOLNYMQ-UHFFFAOYSA-N 1 1 381.234 2.054 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599456 609328984 /nfs/dbraw/zinc/32/89/84/609328984.db2.gz PCHSOUKANKEJBZ-ZDUSSCGKSA-N 1 1 389.456 2.271 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545075 609340896 /nfs/dbraw/zinc/34/08/96/609340896.db2.gz BEVVJPJTCRZYKY-SCLBCKFNSA-N 1 1 380.427 2.458 20 0 GEADMO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1=O ZINC000826220695 609344405 /nfs/dbraw/zinc/34/44/05/609344405.db2.gz WOQFITCAAWZYRN-LRDDRELGSA-N 1 1 396.426 2.471 20 0 GEADMO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CC1 ZINC000826098659 609359489 /nfs/dbraw/zinc/35/94/89/609359489.db2.gz LBDWXCSAIDHYSR-JTQLQIEISA-N 1 1 394.273 2.403 20 0 GEADMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CC1 ZINC000826098659 609359491 /nfs/dbraw/zinc/35/94/91/609359491.db2.gz LBDWXCSAIDHYSR-JTQLQIEISA-N 1 1 394.273 2.403 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000823821085 609360189 /nfs/dbraw/zinc/36/01/89/609360189.db2.gz OTXUZAAYNNHCSB-CYBMUJFWSA-N 1 1 389.261 2.058 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000823821085 609360191 /nfs/dbraw/zinc/36/01/91/609360191.db2.gz OTXUZAAYNNHCSB-CYBMUJFWSA-N 1 1 389.261 2.058 20 0 GEADMO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000823821088 609364945 /nfs/dbraw/zinc/36/49/45/609364945.db2.gz OUACALRZGCMKCT-JSGCOSHPSA-N 1 1 378.274 2.488 20 0 GEADMO O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000826506749 609388409 /nfs/dbraw/zinc/38/84/09/609388409.db2.gz BABZVGAXAPPMOY-GFCCVEGCSA-N 1 1 391.888 2.155 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C[C@H]1C ZINC000825452140 609549573 /nfs/dbraw/zinc/54/95/73/609549573.db2.gz NXULQAPKUACCEX-YPMHNXCESA-N 1 1 398.920 2.013 20 0 GEADMO CC[NH+]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447052036 649995926 /nfs/dbraw/zinc/99/59/26/649995926.db2.gz MXEKODIBMRTPRT-UHFFFAOYSA-N 1 1 392.301 2.482 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000447148836 649999757 /nfs/dbraw/zinc/99/97/57/649999757.db2.gz QJWPCBJYWKMPCP-MNOVXSKESA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000447148836 649999758 /nfs/dbraw/zinc/99/97/58/649999758.db2.gz QJWPCBJYWKMPCP-MNOVXSKESA-N 1 1 383.290 2.032 20 0 GEADMO CCOC(=O)c1nnc(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000447170690 650000380 /nfs/dbraw/zinc/00/03/80/650000380.db2.gz XGWSAGRRHKPRSU-CQSZACIVSA-N 1 1 379.507 2.226 20 0 GEADMO CCOC(=O)c1nnc(SC[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000447170690 650000381 /nfs/dbraw/zinc/00/03/81/650000381.db2.gz XGWSAGRRHKPRSU-CQSZACIVSA-N 1 1 379.507 2.226 20 0 GEADMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cncc(Br)c2)C1 ZINC000448161281 650014010 /nfs/dbraw/zinc/01/40/10/650014010.db2.gz ZLDLMGFKAUKWKA-CYBMUJFWSA-N 1 1 390.347 2.490 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448693909 650019525 /nfs/dbraw/zinc/01/95/25/650019525.db2.gz HUPOMTCNJLYJHB-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000448823207 650022186 /nfs/dbraw/zinc/02/21/86/650022186.db2.gz NTOSENFQJAWARH-CYBMUJFWSA-N 1 1 392.301 2.492 20 0 GEADMO Cc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000448872673 650024557 /nfs/dbraw/zinc/02/45/57/650024557.db2.gz IWBCOEIABMKTNQ-OAHLLOKOSA-N 1 1 396.329 2.004 20 0 GEADMO Cc1cc(C)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1Br ZINC000448953828 650026588 /nfs/dbraw/zinc/02/65/88/650026588.db2.gz ULZJCFMHONRYHJ-UHFFFAOYSA-N 1 1 396.329 2.348 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449035654 650030538 /nfs/dbraw/zinc/03/05/38/650030538.db2.gz HJMAICFYIKZLNZ-OAHLLOKOSA-N 1 1 384.293 2.327 20 0 GEADMO C[N@H+](Cc1ccnc2c(Br)cccc12)C[C@H](O)CN1CCOCC1 ZINC000449031799 650030715 /nfs/dbraw/zinc/03/07/15/650030715.db2.gz WDZVNFGPQFCJOR-HNNXBMFYSA-N 1 1 394.313 2.122 20 0 GEADMO C[C@@]1(C2CC[NH+](Cc3cccc(F)c3Br)CC2)NC(=O)NC1=O ZINC000449039296 650030855 /nfs/dbraw/zinc/03/08/55/650030855.db2.gz ZCPAQKMHGFKGDY-INIZCTEOSA-N 1 1 384.249 2.398 20 0 GEADMO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449077887 650031240 /nfs/dbraw/zinc/03/12/40/650031240.db2.gz KKRGGSUDSANCJI-CQSZACIVSA-N 1 1 387.309 2.407 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)nn1 ZINC000449392139 650039861 /nfs/dbraw/zinc/03/98/61/650039861.db2.gz JCRXNSKNZCNNLB-CYBMUJFWSA-N 1 1 382.249 2.484 20 0 GEADMO OCCC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000449390460 650039904 /nfs/dbraw/zinc/03/99/04/650039904.db2.gz WEKRGMUITBIJQY-CQSZACIVSA-N 1 1 385.302 2.157 20 0 GEADMO OCCC[N@H+]1CCC[C@@H]1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000449390460 650039907 /nfs/dbraw/zinc/03/99/07/650039907.db2.gz WEKRGMUITBIJQY-CQSZACIVSA-N 1 1 385.302 2.157 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000449452050 650041161 /nfs/dbraw/zinc/04/11/61/650041161.db2.gz JRNCFDQUYKVJDZ-INIZCTEOSA-N 1 1 386.242 2.189 20 0 GEADMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000449452050 650041164 /nfs/dbraw/zinc/04/11/64/650041164.db2.gz JRNCFDQUYKVJDZ-INIZCTEOSA-N 1 1 386.242 2.189 20 0 GEADMO CCO[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2I)C12CCC2 ZINC000449601894 650043495 /nfs/dbraw/zinc/04/34/95/650043495.db2.gz BIDNWMKGILCJPC-STQMWFEESA-N 1 1 375.254 2.462 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449663798 650044822 /nfs/dbraw/zinc/04/48/22/650044822.db2.gz AQDPNPJWNAOKOU-KOLCDFICSA-N 1 1 375.313 2.415 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449663798 650044825 /nfs/dbraw/zinc/04/48/25/650044825.db2.gz AQDPNPJWNAOKOU-KOLCDFICSA-N 1 1 375.313 2.415 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449663800 650044880 /nfs/dbraw/zinc/04/48/80/650044880.db2.gz AQDPNPJWNAOKOU-ONGXEEELSA-N 1 1 375.313 2.415 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449663800 650044883 /nfs/dbraw/zinc/04/48/83/650044883.db2.gz AQDPNPJWNAOKOU-ONGXEEELSA-N 1 1 375.313 2.415 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449663794 650044986 /nfs/dbraw/zinc/04/49/86/650044986.db2.gz AQDPNPJWNAOKOU-GXSJLCMTSA-N 1 1 375.313 2.415 20 0 GEADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449663794 650044987 /nfs/dbraw/zinc/04/49/87/650044987.db2.gz AQDPNPJWNAOKOU-GXSJLCMTSA-N 1 1 375.313 2.415 20 0 GEADMO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000449729223 650048192 /nfs/dbraw/zinc/04/81/92/650048192.db2.gz ZBCIRXRLKXPHQY-WCBMZHEXSA-N 1 1 384.221 2.025 20 0 GEADMO Cc1ccc(Br)cc1CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000449984510 650057565 /nfs/dbraw/zinc/05/75/65/650057565.db2.gz IJPISKUOZQYNES-PBHICJAKSA-N 1 1 381.314 2.479 20 0 GEADMO CCN1CC[NH+]([C@H](C)CNc2ncnc3cc(Br)ccc32)CC1 ZINC000450258813 650063198 /nfs/dbraw/zinc/06/31/98/650063198.db2.gz SZVVZSRYUXETRY-CYBMUJFWSA-N 1 1 378.318 2.830 20 0 GEADMO COc1ccc(C[C@H](CO)CNc2[nH+]cnc3[nH]ccc32)cc1Br ZINC000450839440 650072039 /nfs/dbraw/zinc/07/20/39/650072039.db2.gz CETWLGVNQWYUKV-LBPRGKRZSA-N 1 1 391.269 2.992 20 0 GEADMO C[C@@H](O)CC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000451027372 650081387 /nfs/dbraw/zinc/08/13/87/650081387.db2.gz HLUPNUBJDLUTHL-CYBMUJFWSA-N 1 1 377.348 2.416 20 0 GEADMO C[C@@H](O)CC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000451027372 650081391 /nfs/dbraw/zinc/08/13/91/650081391.db2.gz HLUPNUBJDLUTHL-CYBMUJFWSA-N 1 1 377.348 2.416 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cccc(F)c2Br)[C@@H](C)C1 ZINC000451043536 650081414 /nfs/dbraw/zinc/08/14/14/650081414.db2.gz XHNMNGQSACQQHL-QWHCGFSZSA-N 1 1 387.293 2.434 20 0 GEADMO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000451044355 650081571 /nfs/dbraw/zinc/08/15/71/650081571.db2.gz PRHPCAJJHNUZHT-LBPRGKRZSA-N 1 1 386.901 2.198 20 0 GEADMO O=S(=O)(Cc1ccc(Br)c(F)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000451047059 650081976 /nfs/dbraw/zinc/08/19/76/650081976.db2.gz WNULIXDYICCAMP-LBPRGKRZSA-N 1 1 391.306 2.492 20 0 GEADMO CCS(=O)(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000451090525 650085222 /nfs/dbraw/zinc/08/52/22/650085222.db2.gz PDHYWOMJHGBBSG-NSHDSACASA-N 1 1 376.320 2.351 20 0 GEADMO 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Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458695823 650407887 /nfs/dbraw/zinc/40/78/87/650407887.db2.gz SYAOOEZIZFIPEN-MRXNPFEDSA-N 1 1 384.318 2.404 20 0 GEADMO Cc1cccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1Br ZINC000502589906 650408707 /nfs/dbraw/zinc/40/87/07/650408707.db2.gz WCVJCRBGCFYUHF-UONOGXRCSA-N 1 1 384.318 2.354 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000458711704 650408760 /nfs/dbraw/zinc/40/87/60/650408760.db2.gz MFFLXOHYCIKNHO-CYBMUJFWSA-N 1 1 387.933 2.275 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1F ZINC000458789829 650410540 /nfs/dbraw/zinc/41/05/40/650410540.db2.gz XNETYKOVPQWLBN-VXGBXAGGSA-N 1 1 388.281 2.357 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1ccc(Br)cc1F ZINC000458789829 650410543 /nfs/dbraw/zinc/41/05/43/650410543.db2.gz XNETYKOVPQWLBN-VXGBXAGGSA-N 1 1 388.281 2.357 20 0 GEADMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000502782871 650411567 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CCOCC[NH+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503664889 650420837 /nfs/dbraw/zinc/42/08/37/650420837.db2.gz YDWGBAVJUOHSHN-UHFFFAOYSA-N 1 1 391.256 2.451 20 0 GEADMO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000459395006 650423792 /nfs/dbraw/zinc/42/37/92/650423792.db2.gz BWBMSXCPXVDYQR-BJOHPYRUSA-N 1 1 396.314 2.099 20 0 GEADMO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1)CCC(F)(F)F ZINC000503900617 650424164 /nfs/dbraw/zinc/42/41/64/650424164.db2.gz HMRMRQBPEMFYDR-OLZOCXBDSA-N 1 1 383.480 2.167 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1)CCC(F)(F)F ZINC000503900617 650424165 /nfs/dbraw/zinc/42/41/65/650424165.db2.gz HMRMRQBPEMFYDR-OLZOCXBDSA-N 1 1 383.480 2.167 20 0 GEADMO C[N@H+](Cc1ccc(I)cc1Cl)CC(C)(CO)CO ZINC000503952471 650424532 /nfs/dbraw/zinc/42/45/32/650424532.db2.gz JEMRFQWNVCNLKT-UHFFFAOYSA-N 1 1 383.657 2.367 20 0 GEADMO C[N@@H+](Cc1ccc(I)cc1Cl)CC(C)(CO)CO ZINC000503952471 650424534 /nfs/dbraw/zinc/42/45/34/650424534.db2.gz 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CCC[N@@H+](C)[C@@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000509621305 650497418 /nfs/dbraw/zinc/49/74/18/650497418.db2.gz LFCAKJNUEXIFCR-CJNGLKHVSA-N 1 1 389.949 2.119 20 0 GEADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000509510378 650494997 /nfs/dbraw/zinc/49/49/97/650494997.db2.gz PQABVLUQBFGHFW-TXEJJXNPSA-N 1 1 376.366 2.158 20 0 GEADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000509510378 650494998 /nfs/dbraw/zinc/49/49/98/650494998.db2.gz PQABVLUQBFGHFW-TXEJJXNPSA-N 1 1 376.366 2.158 20 0 GEADMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(I)c1 ZINC000509660312 650498491 /nfs/dbraw/zinc/49/84/91/650498491.db2.gz ZOQKOSOUAQSFOF-GHMZBOCLSA-N 1 1 388.249 2.464 20 0 GEADMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(I)c1 ZINC000509660312 650498494 /nfs/dbraw/zinc/49/84/94/650498494.db2.gz ZOQKOSOUAQSFOF-GHMZBOCLSA-N 1 1 388.249 2.464 20 0 GEADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000466967998 650500305 /nfs/dbraw/zinc/50/03/05/650500305.db2.gz UYTJDVOGJWBHAV-KBPBESRZSA-N 1 1 386.480 2.180 20 0 GEADMO C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467024683 650501050 /nfs/dbraw/zinc/50/10/50/650501050.db2.gz UXJRHYQELNDDRG-JTQLQIEISA-N 1 1 377.304 2.130 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000467067098 650502293 /nfs/dbraw/zinc/50/22/93/650502293.db2.gz XVTBWRYCNMBSDH-LKFCYVNXSA-N 1 1 384.249 2.126 20 0 GEADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(I)cc1 ZINC000509923832 650503368 /nfs/dbraw/zinc/50/33/68/650503368.db2.gz IHQVQUCRZNWEKM-LBPRGKRZSA-N 1 1 388.249 2.132 20 0 GEADMO COC(=O)c1cnc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cn1 ZINC000468181695 650504651 /nfs/dbraw/zinc/50/46/51/650504651.db2.gz CHIKXEIXGZIWGJ-UHFFFAOYSA-N 1 1 393.241 2.340 20 0 GEADMO CC[N@@H+](C)CCNC(=O)CCOc1ccccc1I ZINC000468926394 650508516 /nfs/dbraw/zinc/50/85/16/650508516.db2.gz JBMMQHUFKWVDKZ-UHFFFAOYSA-N 1 1 376.238 2.128 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000472054349 650518970 /nfs/dbraw/zinc/51/89/70/650518970.db2.gz KSFBNJMUVROUPQ-LBPRGKRZSA-N 1 1 389.279 2.468 20 0 GEADMO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[N@H+]1CCCC[C@H]1C ZINC000510820274 650519771 /nfs/dbraw/zinc/51/97/71/650519771.db2.gz IOZIQXADMMTUNS-NEPJUHHUSA-N 1 1 393.962 2.059 20 0 GEADMO Cn1ccnc1[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000510943550 650521481 /nfs/dbraw/zinc/52/14/81/650521481.db2.gz HCXCHUANBXQTPI-HNNXBMFYSA-N 1 1 386.880 2.232 20 0 GEADMO CC[N@@H+]1CC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000510954272 650521806 /nfs/dbraw/zinc/52/18/06/650521806.db2.gz XXLGWIZYGCIRLM-IUODEOHRSA-N 1 1 377.913 2.077 20 0 GEADMO CC[N@H+]1CC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000510954272 650521810 /nfs/dbraw/zinc/52/18/10/650521810.db2.gz XXLGWIZYGCIRLM-IUODEOHRSA-N 1 1 377.913 2.077 20 0 GEADMO CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000473232938 650525101 /nfs/dbraw/zinc/52/51/01/650525101.db2.gz VNOMIAOBXZBKJO-INIZCTEOSA-N 1 1 394.313 2.263 20 0 GEADMO CN(C(=O)Cn1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475419762 650533089 /nfs/dbraw/zinc/53/30/89/650533089.db2.gz DCUPFPLHTJDXQT-INIZCTEOSA-N 1 1 377.286 2.379 20 0 GEADMO CC[N@@H+](CC(=O)N(CC(=O)OC)Cc1cccc(Br)c1)C1CC1 ZINC000475778376 650537819 /nfs/dbraw/zinc/53/78/19/650537819.db2.gz SANYAOQIZHETNJ-UHFFFAOYSA-N 1 1 383.286 2.435 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000511587723 650538982 /nfs/dbraw/zinc/53/89/82/650538982.db2.gz WTPTZZWTVLPLNZ-ZLKJLUDKSA-N 1 1 388.249 2.463 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511607139 650539705 /nfs/dbraw/zinc/53/97/05/650539705.db2.gz ZWJAPOSHSHKLMX-QGZVFWFLSA-N 1 1 395.301 2.235 20 0 GEADMO C[NH+](C)Cc1cnc(CNCc2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000511898691 650541770 /nfs/dbraw/zinc/54/17/70/650541770.db2.gz YQGCXDROUQFAOK-UHFFFAOYSA-N 1 1 380.539 2.034 20 0 GEADMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3F)[C@@H]2C1 ZINC000476498995 650551640 /nfs/dbraw/zinc/55/16/40/650551640.db2.gz GQFXMHKHEPPWKN-GXFFZTMASA-N 1 1 377.279 2.303 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3F)[C@@H]2C1 ZINC000476498995 650551641 /nfs/dbraw/zinc/55/16/41/650551641.db2.gz GQFXMHKHEPPWKN-GXFFZTMASA-N 1 1 377.279 2.303 20 0 GEADMO O=C(NCC[NH2+]Cc1ncc(I)s1)c1cccs1 ZINC000512147869 650545707 /nfs/dbraw/zinc/54/57/07/650545707.db2.gz VMGJLYFPGQHLRG-UHFFFAOYSA-N 1 1 393.275 2.329 20 0 GEADMO CN(C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCSC1 ZINC000512746999 650553762 /nfs/dbraw/zinc/55/37/62/650553762.db2.gz AOTTXGXIYQBNER-IIAWOOMASA-N 1 1 381.567 2.211 20 0 GEADMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(I)c1 ZINC000513168065 650559203 /nfs/dbraw/zinc/55/92/03/650559203.db2.gz XJRBJKYZMWSHLW-PHIMTYICSA-N 1 1 388.249 2.464 20 0 GEADMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(I)c1 ZINC000513168065 650559205 /nfs/dbraw/zinc/55/92/05/650559205.db2.gz XJRBJKYZMWSHLW-PHIMTYICSA-N 1 1 388.249 2.464 20 0 GEADMO CC(C)[N@@H+](C)CC(=O)NCCOc1ccc(I)cc1 ZINC000513859276 650570774 /nfs/dbraw/zinc/57/07/74/650570774.db2.gz JVBLGPOKVNDLIB-UHFFFAOYSA-N 1 1 376.238 2.126 20 0 GEADMO CC1(C)CCC[N@@H+](CCNC(=O)NCCCn2cc(Br)cn2)C1 ZINC000513604468 650565998 /nfs/dbraw/zinc/56/59/98/650565998.db2.gz VQFWFOOFDLTXQJ-UHFFFAOYSA-N 1 1 386.338 2.457 20 0 GEADMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000514107553 650573453 /nfs/dbraw/zinc/57/34/53/650573453.db2.gz MZHUITANKJXKAX-AWEZNQCLSA-N 1 1 387.933 2.272 20 0 GEADMO COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1I ZINC000477451490 650574112 /nfs/dbraw/zinc/57/41/12/650574112.db2.gz JUXWVOKPRYGMSF-NSHDSACASA-N 1 1 386.233 2.266 20 0 GEADMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)C1 ZINC000514735654 650578042 /nfs/dbraw/zinc/57/80/42/650578042.db2.gz CTAHZYWUZKXCEU-JTQLQIEISA-N 1 1 379.404 2.357 20 0 GEADMO C[N@@H+](CCNC(=O)N(CCO)Cc1ccc(Br)s1)C1CC1 ZINC000478625133 650589160 /nfs/dbraw/zinc/58/91/60/650589160.db2.gz AOCHQHJGQRQICQ-UHFFFAOYSA-N 1 1 376.320 2.109 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000515849677 650594884 /nfs/dbraw/zinc/59/48/84/650594884.db2.gz XNXPLIQGIBYLDY-UHFFFAOYSA-N 1 1 381.217 2.095 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000479309531 650601007 /nfs/dbraw/zinc/60/10/07/650601007.db2.gz BYPIGBCUDQRZFW-CQSZACIVSA-N 1 1 388.281 2.450 20 0 GEADMO CCn1c(SC[C@@H](O)C[N@@H+](C)CCOC)nc2sc(C)c(C)c2c1=O ZINC000518396218 650604316 /nfs/dbraw/zinc/60/43/16/650604316.db2.gz AGQIRNAPPVKGIG-ZDUSSCGKSA-N 1 1 385.555 2.126 20 0 GEADMO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000519611653 650609556 /nfs/dbraw/zinc/60/95/56/650609556.db2.gz MRBBSOOWYIXRAQ-ZDUSSCGKSA-N 1 1 378.274 2.260 20 0 GEADMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000519611653 650609557 /nfs/dbraw/zinc/60/95/57/650609557.db2.gz MRBBSOOWYIXRAQ-ZDUSSCGKSA-N 1 1 378.274 2.260 20 0 GEADMO CCCCN(C(=O)C[N@H+](C)C1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000519697060 650610755 /nfs/dbraw/zinc/61/07/55/650610755.db2.gz YZDRTHWPCUDQLP-HNNXBMFYSA-N 1 1 380.501 2.312 20 0 GEADMO CCCCN(C(=O)C[N@@H+](C)C1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000519697060 650610757 /nfs/dbraw/zinc/61/07/57/650610757.db2.gz YZDRTHWPCUDQLP-HNNXBMFYSA-N 1 1 380.501 2.312 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000521679576 650618672 /nfs/dbraw/zinc/61/86/72/650618672.db2.gz WXCNDJNWDLUYCG-GFCCVEGCSA-N 1 1 391.693 2.318 20 0 GEADMO C[C@@](O)(CNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C[NH+]1CCOCC1 ZINC000480504702 650623541 /nfs/dbraw/zinc/62/35/41/650623541.db2.gz JIPCIZUFWYNCMZ-QGZVFWFLSA-N 1 1 386.279 2.288 20 0 GEADMO Cc1c(C(=O)NCC[N@H+](C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000522436297 650625169 /nfs/dbraw/zinc/62/51/69/650625169.db2.gz AJKKTBCHTKMWAQ-UHFFFAOYSA-N 1 1 380.290 2.408 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000523459225 650635029 /nfs/dbraw/zinc/63/50/29/650635029.db2.gz WIQOPDQSABLODN-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000523459225 650635031 /nfs/dbraw/zinc/63/50/31/650635031.db2.gz WIQOPDQSABLODN-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO CCOc1c(Br)cc(C(=O)NCC[N@@H+](C)CCOC)cc1OC ZINC000524234269 650639400 /nfs/dbraw/zinc/63/94/00/650639400.db2.gz DRSUGGGYSQKMIM-UHFFFAOYSA-N 1 1 389.290 2.164 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000524285506 650639997 /nfs/dbraw/zinc/63/99/97/650639997.db2.gz GQFBHRONWMATSR-QGZVFWFLSA-N 1 1 397.953 2.434 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000524776115 650646265 /nfs/dbraw/zinc/64/62/65/650646265.db2.gz VBQQACNUGHHIRY-KBPBESRZSA-N 1 1 394.313 2.260 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293200 650652999 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O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000482278246 650663410 /nfs/dbraw/zinc/66/34/10/650663410.db2.gz OQNWLVVVEZOQMH-HNNXBMFYSA-N 1 1 377.432 2.205 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000482278246 650663411 /nfs/dbraw/zinc/66/34/11/650663411.db2.gz OQNWLVVVEZOQMH-HNNXBMFYSA-N 1 1 377.432 2.205 20 0 GEADMO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000482846022 650669904 /nfs/dbraw/zinc/66/99/04/650669904.db2.gz SNYDHDOAMPCSJH-HNNXBMFYSA-N 1 1 378.274 2.082 20 0 GEADMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000527305581 650672709 /nfs/dbraw/zinc/67/27/09/650672709.db2.gz RKEYZGWUKRWNCZ-XNJGSVPQSA-N 1 1 384.307 2.238 20 0 GEADMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000527305581 650672711 /nfs/dbraw/zinc/67/27/11/650672711.db2.gz RKEYZGWUKRWNCZ-XNJGSVPQSA-N 1 1 384.307 2.238 20 0 GEADMO C[N@@H+](CC(=O)N(CCO)Cc1ccc(Br)s1)[C@@H]1CCSC1 ZINC000483004166 650673091 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C[C@@H]1[C@H](C)N(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[N@H+]1C ZINC000483750555 650681494 /nfs/dbraw/zinc/68/14/94/650681494.db2.gz JJDDDYWRLXMVJL-MNOVXSKESA-N 1 1 398.276 2.028 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[N@@H+]1C ZINC000483750555 650681496 /nfs/dbraw/zinc/68/14/96/650681496.db2.gz JJDDDYWRLXMVJL-MNOVXSKESA-N 1 1 398.276 2.028 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528285952 650687537 /nfs/dbraw/zinc/68/75/37/650687537.db2.gz IMJRXJJGVKMDRL-LLVKDONJSA-N 1 1 382.404 2.356 20 0 GEADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000528028758 650684578 /nfs/dbraw/zinc/68/45/78/650684578.db2.gz HIMHHAXNBBHKGA-UHFFFAOYSA-N 1 1 381.263 2.483 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528357381 650690398 /nfs/dbraw/zinc/69/03/98/650690398.db2.gz UIHYRFJMOYOERX-MRXNPFEDSA-N 1 1 384.307 2.477 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccsc1C(F)(F)F ZINC000528356629 650690456 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CO[C@]1(CO)CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000401758707 647903965 /nfs/dbraw/zinc/90/39/65/647903965.db2.gz APSFPVONWUCEGF-MRXNPFEDSA-N 1 1 382.258 2.472 20 0 GEADMO O=C(c1ccc(Br)cc1C(F)(F)F)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405384287 647911237 /nfs/dbraw/zinc/91/12/37/647911237.db2.gz KHYLSOYJNWGBMK-WDEREUQCSA-N 1 1 393.203 2.359 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000408167948 647932063 /nfs/dbraw/zinc/93/20/63/647932063.db2.gz GKRQGTRQPRDVBL-OUAUKWLOSA-N 1 1 388.331 2.180 20 0 GEADMO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000408174069 647932654 /nfs/dbraw/zinc/93/26/54/647932654.db2.gz GCUMKEJEJUHMNX-UHFFFAOYSA-N 1 1 385.555 2.040 20 0 GEADMO COc1ccc(Br)c(CS(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000409568422 647971084 /nfs/dbraw/zinc/97/10/84/647971084.db2.gz IYVSWBHVFAUYMF-ABAIWWIYSA-N 1 1 391.331 2.360 20 0 GEADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000409701970 647979508 /nfs/dbraw/zinc/97/95/08/647979508.db2.gz RQOBYFRKUQQIDR-ZDUSSCGKSA-N 1 1 382.302 2.103 20 0 GEADMO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000410472148 648003671 /nfs/dbraw/zinc/00/36/71/648003671.db2.gz HBELZHCXTWKCSL-AWEZNQCLSA-N 1 1 396.329 2.269 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000411667173 648029952 /nfs/dbraw/zinc/02/99/52/648029952.db2.gz HQXKMAYMXSFRMS-NSHDSACASA-N 1 1 386.265 2.375 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411667178 648030127 /nfs/dbraw/zinc/03/01/27/648030127.db2.gz HRFJUVSKHROMRI-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000411677482 648030932 /nfs/dbraw/zinc/03/09/32/648030932.db2.gz SOFOCEVIBDOHNN-NSHDSACASA-N 1 1 386.265 2.375 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000411868630 648036938 /nfs/dbraw/zinc/03/69/38/648036938.db2.gz YVVALYRMQXNDPI-UHFFFAOYSA-N 1 1 398.301 2.369 20 0 GEADMO CNc1cc(I)ccc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000412260725 648046741 /nfs/dbraw/zinc/04/67/41/648046741.db2.gz TVEAQCIQMLIBSJ-UHFFFAOYSA-N 1 1 387.265 2.499 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000412444598 648048465 /nfs/dbraw/zinc/04/84/65/648048465.db2.gz LCMSTFWCMWKHQS-AWEZNQCLSA-N 1 1 399.329 2.358 20 0 GEADMO Brc1cccc(C[NH+]2CCC(Nc3ccc4nncn4n3)CC2)c1 ZINC000413624075 648076080 /nfs/dbraw/zinc/07/60/80/648076080.db2.gz VNBHLRHYTUYRNK-UHFFFAOYSA-N 1 1 387.285 2.963 20 0 GEADMO CN(CCCO)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413886491 648081023 /nfs/dbraw/zinc/08/10/23/648081023.db2.gz UYGOHCQINNVILI-UHFFFAOYSA-N 1 1 384.318 2.437 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CC[N@@H+](C)C1 ZINC000413906096 648083884 /nfs/dbraw/zinc/08/38/84/648083884.db2.gz RHXNSKURAXNVSQ-GFCCVEGCSA-N 1 1 386.290 2.008 20 0 GEADMO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415471956 648105413 /nfs/dbraw/zinc/10/54/13/648105413.db2.gz SVJSHGBLMKVJPS-UHFFFAOYSA-N 1 1 384.152 2.090 20 0 GEADMO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415591194 648108084 /nfs/dbraw/zinc/10/80/84/648108084.db2.gz CAQXBWNFBBVHQL-UHFFFAOYSA-N 1 1 384.608 2.060 20 0 GEADMO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000416456298 648130917 /nfs/dbraw/zinc/13/09/17/648130917.db2.gz WDZLUFGMVRIRMN-DOTOQJQBSA-N 1 1 385.961 2.295 20 0 GEADMO Cc1nc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)sc1Br ZINC000416509741 648153880 /nfs/dbraw/zinc/15/38/80/648153880.db2.gz VKRKJMHUNGRNAF-UHFFFAOYSA-N 1 1 382.349 2.367 20 0 GEADMO Cc1nc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)sc1Br ZINC000416509741 648153894 /nfs/dbraw/zinc/15/38/94/648153894.db2.gz VKRKJMHUNGRNAF-UHFFFAOYSA-N 1 1 382.349 2.367 20 0 GEADMO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)n1 ZINC000503482158 648188622 /nfs/dbraw/zinc/18/86/22/648188622.db2.gz JGHOCFZGQPBHCA-UHFFFAOYSA-N 1 1 377.246 2.336 20 0 GEADMO COc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Br ZINC000416830392 648213726 /nfs/dbraw/zinc/21/37/26/648213726.db2.gz GVVBYGAZAZFBRL-NEPJUHHUSA-N 1 1 386.290 2.377 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417602234 648255465 /nfs/dbraw/zinc/25/54/65/648255465.db2.gz NJVCJJYQFIJKEE-SUMWQHHRSA-N 1 1 399.308 2.371 20 0 GEADMO C[C@H]1C[C@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000417719254 648258924 /nfs/dbraw/zinc/25/89/24/648258924.db2.gz COBQGVRYPCQUKN-GXFFZTMASA-N 1 1 393.289 2.174 20 0 GEADMO C[C@H]1C[C@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]1 ZINC000417719254 648258928 /nfs/dbraw/zinc/25/89/28/648258928.db2.gz COBQGVRYPCQUKN-GXFFZTMASA-N 1 1 393.289 2.174 20 0 GEADMO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417721101 648258990 /nfs/dbraw/zinc/25/89/90/648258990.db2.gz FKPNYKPFDSGAAU-MFKMUULPSA-N 1 1 393.289 2.031 20 0 GEADMO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417721101 648258994 /nfs/dbraw/zinc/25/89/94/648258994.db2.gz FKPNYKPFDSGAAU-MFKMUULPSA-N 1 1 393.289 2.031 20 0 GEADMO [NH3+]CC1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000417729681 648259789 /nfs/dbraw/zinc/25/97/89/648259789.db2.gz NIWNOMIDHFKMKK-UHFFFAOYSA-N 1 1 393.289 2.115 20 0 GEADMO [NH3+]CC1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000417729681 648259794 /nfs/dbraw/zinc/25/97/94/648259794.db2.gz NIWNOMIDHFKMKK-UHFFFAOYSA-N 1 1 393.289 2.115 20 0 GEADMO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417735689 648260424 /nfs/dbraw/zinc/26/04/24/648260424.db2.gz SKBBEDNJUVKJSC-OLZOCXBDSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417735689 648260428 /nfs/dbraw/zinc/26/04/28/648260428.db2.gz SKBBEDNJUVKJSC-OLZOCXBDSA-N 1 1 393.289 2.303 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)NCC(F)(F)CN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952937 648267355 /nfs/dbraw/zinc/26/73/55/648267355.db2.gz OWFYDLXISIRUMJ-RISCZKNCSA-N 1 1 378.826 2.365 20 0 GEADMO O=C(NC1CC1)[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000419207394 648341688 /nfs/dbraw/zinc/34/16/88/648341688.db2.gz OSJYDECDMUYTOX-QGZVFWFLSA-N 1 1 390.281 2.220 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)[C@H]1n1cccn1 ZINC000419202694 648341924 /nfs/dbraw/zinc/34/19/24/648341924.db2.gz ZCMTYONKZJNEET-ZJIFWQFVSA-N 1 1 393.285 2.180 20 0 GEADMO Cc1cc(NC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419322241 648346816 /nfs/dbraw/zinc/34/68/16/648346816.db2.gz HGCYMXUWVRLZMJ-KBPBESRZSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000419330890 648347713 /nfs/dbraw/zinc/34/77/13/648347713.db2.gz RCPTXAACJNJVIK-KGLIPLIRSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccc(Br)cc1 ZINC000419330890 648347717 /nfs/dbraw/zinc/34/77/17/648347717.db2.gz RCPTXAACJNJVIK-KGLIPLIRSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCC(=O)Nc1ccc(Br)cc1 ZINC000419330890 648347721 /nfs/dbraw/zinc/34/77/21/648347721.db2.gz RCPTXAACJNJVIK-KGLIPLIRSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)C[N@H+]1CCO ZINC000419330120 648347869 /nfs/dbraw/zinc/34/78/69/648347869.db2.gz QKNXERSBNVIWDX-OLZOCXBDSA-N 1 1 395.301 2.386 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(F)ccc1Br ZINC000419416921 648351456 /nfs/dbraw/zinc/35/14/56/648351456.db2.gz AIRZGNNDOGTKGI-NWDGAFQWSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1sccc1Br ZINC000419434307 648352802 /nfs/dbraw/zinc/35/28/02/648352802.db2.gz IVNRIBNZIZODQG-QWRGUYRKSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C[N@H+]1CCO ZINC000419515652 648355493 /nfs/dbraw/zinc/35/54/93/648355493.db2.gz FVLWQEZHJGGLLP-OSRSDYAFSA-N 1 1 396.329 2.402 20 0 GEADMO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc(Br)cn1 ZINC000419514022 648355649 /nfs/dbraw/zinc/35/56/49/648355649.db2.gz BZUNYHMGBZWZOH-UPJWGTAASA-N 1 1 385.306 2.002 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c(F)cc1Br ZINC000420472198 648420319 /nfs/dbraw/zinc/42/03/19/648420319.db2.gz ZGDURRLZBBSJPJ-SECBINFHSA-N 1 1 375.210 2.157 20 0 GEADMO Cc1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c(F)cc1Br ZINC000420472200 648420380 /nfs/dbraw/zinc/42/03/80/648420380.db2.gz ZGDURRLZBBSJPJ-VIFPVBQESA-N 1 1 375.210 2.157 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000420740776 648446741 /nfs/dbraw/zinc/44/67/41/648446741.db2.gz RXWSTDQMWLNBIO-ZDUSSCGKSA-N 1 1 389.315 2.099 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Cl)ccc1OC(F)F ZINC000420759203 648452282 /nfs/dbraw/zinc/45/22/82/648452282.db2.gz VYZRFOXBBUOQSV-GFCCVEGCSA-N 1 1 398.859 2.067 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(Cl)ccc1OC(F)F ZINC000420759203 648452287 /nfs/dbraw/zinc/45/22/87/648452287.db2.gz VYZRFOXBBUOQSV-GFCCVEGCSA-N 1 1 398.859 2.067 20 0 GEADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420975957 648460586 /nfs/dbraw/zinc/46/05/86/648460586.db2.gz QHAQTMRZFVAIHB-AWEZNQCLSA-N 1 1 375.332 2.395 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421412915 648491196 /nfs/dbraw/zinc/49/11/96/648491196.db2.gz UPWPFRKMKDQGRL-CJNGLKHVSA-N 1 1 398.345 2.488 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000422430959 648545842 /nfs/dbraw/zinc/54/58/42/648545842.db2.gz UMOXXDNYVYKVGJ-ZDUSSCGKSA-N 1 1 394.313 2.140 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000422511018 648553737 /nfs/dbraw/zinc/55/37/37/648553737.db2.gz BQYOKUIJERQLQJ-CABCVRRESA-N 1 1 394.313 2.069 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000422514462 648554558 /nfs/dbraw/zinc/55/45/58/648554558.db2.gz HGHPELKUIVBVMP-CZUORRHYSA-N 1 1 396.329 2.172 20 0 GEADMO CC(C)(CC[NH3+])NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000422604009 648561535 /nfs/dbraw/zinc/56/15/35/648561535.db2.gz NCGQLJCXSVLEKO-UHFFFAOYSA-N 1 1 381.278 2.161 20 0 GEADMO CC(C)(CC[NH3+])NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000422604009 648561538 /nfs/dbraw/zinc/56/15/38/648561538.db2.gz NCGQLJCXSVLEKO-UHFFFAOYSA-N 1 1 381.278 2.161 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000424688475 648639004 /nfs/dbraw/zinc/63/90/04/648639004.db2.gz RTIYROLMSIQOEQ-LBPRGKRZSA-N 1 1 385.302 2.464 20 0 GEADMO Cc1oc(Br)cc1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000424682951 648639063 /nfs/dbraw/zinc/63/90/63/648639063.db2.gz MNXNBRMSDFFREP-UHFFFAOYSA-N 1 1 394.273 2.169 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424737094 648642586 /nfs/dbraw/zinc/64/25/86/648642586.db2.gz KVJCVSNWVWNBHX-ZDUSSCGKSA-N 1 1 385.302 2.295 20 0 GEADMO C[C@@H](C[NH+](C)C)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424852088 648653386 /nfs/dbraw/zinc/65/33/86/648653386.db2.gz OSIBNWHEOXRGPD-LBPRGKRZSA-N 1 1 391.331 2.069 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)s1 ZINC000425450925 648678265 /nfs/dbraw/zinc/67/82/65/648678265.db2.gz 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CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nnc(SC)s2)[C@H](C)C1 ZINC000429154692 648747435 /nfs/dbraw/zinc/74/74/35/648747435.db2.gz HKFNSSLBJFEQNB-OLZOCXBDSA-N 1 1 387.575 2.196 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429818444 648752581 /nfs/dbraw/zinc/75/25/81/648752581.db2.gz DNJKABRJJGRVQP-UHFFFAOYSA-N 1 1 399.738 2.349 20 0 GEADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(Cl)cnn1C)c1ccsc1 ZINC000429871117 648756171 /nfs/dbraw/zinc/75/61/71/648756171.db2.gz UQGOOGDGHUAAIY-ZDUSSCGKSA-N 1 1 376.935 2.496 20 0 GEADMO C[C@@H](CNC(=O)c1c(I)cnn1C)[N@H+]1CCCC[C@H]1C ZINC000429868061 648756240 /nfs/dbraw/zinc/75/62/40/648756240.db2.gz RXMACLPCOZRNIH-MNOVXSKESA-N 1 1 390.269 2.017 20 0 GEADMO CC(C)(C(N)=O)N1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000431818678 648771490 /nfs/dbraw/zinc/77/14/90/648771490.db2.gz SMFNRNISEOSIJI-UHFFFAOYSA-N 1 1 377.286 2.383 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435210441 648782790 /nfs/dbraw/zinc/78/27/90/648782790.db2.gz 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384.889 2.334 20 0 GEADMO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)cc2)cs1 ZINC000443789034 648888112 /nfs/dbraw/zinc/88/81/12/648888112.db2.gz LSVCFYCJZBBPKL-KRWDZBQOSA-N 1 1 381.523 2.283 20 0 GEADMO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)cc2)cs1 ZINC000443789034 648888113 /nfs/dbraw/zinc/88/81/13/648888113.db2.gz LSVCFYCJZBBPKL-KRWDZBQOSA-N 1 1 381.523 2.283 20 0 GEADMO O=C(COc1ccc(Br)cc1F)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390753 651078249 /nfs/dbraw/zinc/07/82/49/651078249.db2.gz VMDZCSVIEAAUNJ-UHFFFAOYSA-N 1 1 383.221 2.039 20 0 GEADMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000549314317 651095103 /nfs/dbraw/zinc/09/51/03/651095103.db2.gz BFRRKWCWIBZHBZ-LLVKDONJSA-N 1 1 382.452 2.228 20 0 GEADMO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000549924516 651103292 /nfs/dbraw/zinc/10/32/92/651103292.db2.gz YQPDLESWRRVAPJ-QWHCGFSZSA-N 1 1 386.359 2.495 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000550664513 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CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000551746957 651131478 /nfs/dbraw/zinc/13/14/78/651131478.db2.gz WVAIIRNKJWJROE-ZDUSSCGKSA-N 1 1 398.301 2.257 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3ccc(Br)cc3C2)CC1 ZINC000551748219 651131481 /nfs/dbraw/zinc/13/14/81/651131481.db2.gz MWUCTZGUUOHZLQ-CQSZACIVSA-N 1 1 380.330 2.360 20 0 GEADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1ccc(Br)c(F)c1 ZINC000551759248 651131817 /nfs/dbraw/zinc/13/18/17/651131817.db2.gz QNIOZAPCFISZBY-UHFFFAOYSA-N 1 1 395.232 2.376 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552098259 651140148 /nfs/dbraw/zinc/14/01/48/651140148.db2.gz ZPIWYBIJZQALET-INIZCTEOSA-N 1 1 382.917 2.401 20 0 GEADMO NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)s1 ZINC000552161827 651142141 /nfs/dbraw/zinc/14/21/41/651142141.db2.gz XOYLFWABRNPGQD-UHFFFAOYSA-N 1 1 397.547 2.197 20 0 GEADMO C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]2CCC[C@H]21 ZINC000552266375 651145310 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GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657345594 652161834 /nfs/dbraw/zinc/16/18/34/652161834.db2.gz VOMVDMLGNZBNPD-SNVBAGLBSA-N 1 1 376.404 2.198 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000577167491 652167800 /nfs/dbraw/zinc/16/78/00/652167800.db2.gz XBQPOSHBUSYYCW-JOYOIKCWSA-N 1 1 382.379 2.485 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000577167491 652167807 /nfs/dbraw/zinc/16/78/07/652167807.db2.gz XBQPOSHBUSYYCW-JOYOIKCWSA-N 1 1 382.379 2.485 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564039 652173534 /nfs/dbraw/zinc/17/35/34/652173534.db2.gz RZRXLLOJWNXGTD-GFCCVEGCSA-N 1 1 390.347 2.059 20 0 GEADMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657564039 652173538 /nfs/dbraw/zinc/17/35/38/652173538.db2.gz RZRXLLOJWNXGTD-GFCCVEGCSA-N 1 1 390.347 2.059 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000577270353 652175037 /nfs/dbraw/zinc/17/50/37/652175037.db2.gz NZNATYSXJHQIBH-UWWPHRKUSA-N 1 1 396.329 2.402 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000657579590 652176026 /nfs/dbraw/zinc/17/60/26/652176026.db2.gz FDPPSOSQNOIQLT-LLVKDONJSA-N 1 1 391.269 2.146 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000657588110 652176362 /nfs/dbraw/zinc/17/63/62/652176362.db2.gz MNYIJZRFENDFEA-CQSZACIVSA-N 1 1 384.395 2.453 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000577279348 652176588 /nfs/dbraw/zinc/17/65/88/652176588.db2.gz LWEAKRZPYHQCIH-INIZCTEOSA-N 1 1 381.249 2.408 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657592330 652177167 /nfs/dbraw/zinc/17/71/67/652177167.db2.gz STPNZFSHLJVJJP-NSHDSACASA-N 1 1 386.265 2.373 20 0 GEADMO O=C(NCc1ccccc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000622120254 652183698 /nfs/dbraw/zinc/18/36/98/652183698.db2.gz VCADLHPAOKHIHQ-OAHLLOKOSA-N 1 1 382.302 2.455 20 0 GEADMO CC(=O)NCC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000577494515 652192988 /nfs/dbraw/zinc/19/29/88/652192988.db2.gz YHMPPRZFTKQSHG-UHFFFAOYSA-N 1 1 379.096 2.362 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C[N@H+]1C1CC1 ZINC000657722919 652196372 /nfs/dbraw/zinc/19/63/72/652196372.db2.gz LOPJDVHUQNYRAW-UWVGGRQHSA-N 1 1 384.249 2.268 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657729694 652198260 /nfs/dbraw/zinc/19/82/60/652198260.db2.gz QPLUNMBJTOFNIP-TVQRCGJNSA-N 1 1 384.249 2.126 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@H+]1C ZINC000657856154 652210970 /nfs/dbraw/zinc/21/09/70/652210970.db2.gz LQNUFDRCDQACTP-WDEREUQCSA-N 1 1 386.265 2.468 20 0 GEADMO CSc1nn(C)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(N)=O ZINC000577741820 652212190 /nfs/dbraw/zinc/21/21/90/652212190.db2.gz FPHHEIPFCZQTKF-GFCCVEGCSA-N 1 1 381.889 2.136 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1C ZINC000657892726 652214865 /nfs/dbraw/zinc/21/48/65/652214865.db2.gz DZAJDNSRWIMLCK-ZDUSSCGKSA-N 1 1 386.265 2.325 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@H+]1C ZINC000657892726 652214871 /nfs/dbraw/zinc/21/48/71/652214871.db2.gz DZAJDNSRWIMLCK-ZDUSSCGKSA-N 1 1 386.265 2.325 20 0 GEADMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2F)CC[N@H+](C2CC2)C1 ZINC000657978015 652224204 /nfs/dbraw/zinc/22/42/04/652224204.db2.gz JOXCJVBOLNFZEO-LLVKDONJSA-N 1 1 398.276 2.469 20 0 GEADMO Cc1cc(CNCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ncc1Br ZINC000623394944 652234396 /nfs/dbraw/zinc/23/43/96/652234396.db2.gz YRRHLODPFRCVJQ-INIZCTEOSA-N 1 1 383.334 2.185 20 0 GEADMO Cc1cc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)ncc1Br ZINC000623394944 652234401 /nfs/dbraw/zinc/23/44/01/652234401.db2.gz YRRHLODPFRCVJQ-INIZCTEOSA-N 1 1 383.334 2.185 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1ccsc1Br)NC[C@@H]1CCCCO1 ZINC000623415018 652236547 /nfs/dbraw/zinc/23/65/47/652236547.db2.gz XUHDMAGNZQHBBZ-LBPRGKRZSA-N 1 1 397.360 2.089 20 0 GEADMO COc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000623479319 652240283 /nfs/dbraw/zinc/24/02/83/652240283.db2.gz OMXKGBPXKFSPHN-CQSZACIVSA-N 1 1 383.286 2.395 20 0 GEADMO Fc1cc(Br)cnc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000623523732 652244834 /nfs/dbraw/zinc/24/48/34/652244834.db2.gz MBAHURLJWMJDOC-LBPRGKRZSA-N 1 1 386.187 2.336 20 0 GEADMO C[C@H]1C[C@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@H+]1C ZINC000749399954 652251492 /nfs/dbraw/zinc/25/14/92/652251492.db2.gz LBAWKMUQHASCNR-CMPLNLGQSA-N 1 1 398.248 2.151 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000749413404 652253280 /nfs/dbraw/zinc/25/32/80/652253280.db2.gz JHWFNZFLDYEZRT-LLVKDONJSA-N 1 1 398.248 2.011 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000623708772 652255391 /nfs/dbraw/zinc/25/53/91/652255391.db2.gz UQLUBVFQVQURJG-CQSZACIVSA-N 1 1 386.924 2.406 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000623719313 652255997 /nfs/dbraw/zinc/25/59/97/652255997.db2.gz QAILALXLLWCZHP-LBPRGKRZSA-N 1 1 385.306 2.384 20 0 GEADMO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000749511064 652257403 /nfs/dbraw/zinc/25/74/03/652257403.db2.gz JTUJPRQRCFOGSC-ZDUSSCGKSA-N 1 1 384.933 2.191 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1Br ZINC000749919069 652273199 /nfs/dbraw/zinc/27/31/99/652273199.db2.gz IVCGWJOKYDRTOW-VHSXEESVSA-N 1 1 375.213 2.320 20 0 GEADMO CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000658469158 652277845 /nfs/dbraw/zinc/27/78/45/652277845.db2.gz WEHAWJLDBIZCQO-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CN(C(=O)c1cccnc1-n1cc(Br)cn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000578722995 652288457 /nfs/dbraw/zinc/28/84/57/652288457.db2.gz PXCPUSZPBVSTHK-AWEZNQCLSA-N 1 1 390.285 2.339 20 0 GEADMO CC(=O)c1ncc(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000578736072 652289938 /nfs/dbraw/zinc/28/99/38/652289938.db2.gz ZBWARKPZZKRQNU-ZDUSSCGKSA-N 1 1 378.523 2.126 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578765889 652292149 /nfs/dbraw/zinc/29/21/49/652292149.db2.gz RBKLIGPYRMAAQA-SWLSCSKDSA-N 1 1 396.329 2.315 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1 ZINC000750624323 652302354 /nfs/dbraw/zinc/30/23/54/652302354.db2.gz RNQCCFBNGMCACU-XELLLNAOSA-N 1 1 379.404 2.156 20 0 GEADMO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000750704846 652306106 /nfs/dbraw/zinc/30/61/06/652306106.db2.gz VRASHUCLUDROAK-VIFPVBQESA-N 1 1 383.392 2.060 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2COC)C1 ZINC000658777612 652312522 /nfs/dbraw/zinc/31/25/22/652312522.db2.gz DPBRTSGBKKGRKC-GFCCVEGCSA-N 1 1 398.301 2.135 20 0 GEADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000658778410 652313193 /nfs/dbraw/zinc/31/31/93/652313193.db2.gz NFICBOFSCPBFCT-VIFPVBQESA-N 1 1 390.228 2.266 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000658778033 652313241 /nfs/dbraw/zinc/31/32/41/652313241.db2.gz LISJAKJTORJMJD-LLVKDONJSA-N 1 1 386.265 2.436 20 0 GEADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000658786104 652314029 /nfs/dbraw/zinc/31/40/29/652314029.db2.gz YUZAWSVNMLHKEH-NSHDSACASA-N 1 1 386.265 2.436 20 0 GEADMO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000624977815 652317327 /nfs/dbraw/zinc/31/73/27/652317327.db2.gz FLJJZSAHMFCKMU-OAHLLOKOSA-N 1 1 381.533 2.100 20 0 GEADMO CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000579128836 652319235 /nfs/dbraw/zinc/31/92/35/652319235.db2.gz RWLCJSADJXTSQP-YJBOKZPZSA-N 1 1 397.313 2.167 20 0 GEADMO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000751088540 652323218 /nfs/dbraw/zinc/32/32/18/652323218.db2.gz RSJFTPDFYZOSOC-TXEJJXNPSA-N 1 1 389.905 2.063 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000579254542 652329264 /nfs/dbraw/zinc/32/92/64/652329264.db2.gz MTDMFJOLPYDLIH-AWEZNQCLSA-N 1 1 376.328 2.055 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000751375510 652343626 /nfs/dbraw/zinc/34/36/26/652343626.db2.gz KNMKYJZXBDXBLT-LBPRGKRZSA-N 1 1 387.933 2.241 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625331512 652343843 /nfs/dbraw/zinc/34/38/43/652343843.db2.gz JEEUXLRDDXNNFB-HNNXBMFYSA-N 1 1 389.253 2.256 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625331512 652343847 /nfs/dbraw/zinc/34/38/47/652343847.db2.gz JEEUXLRDDXNNFB-HNNXBMFYSA-N 1 1 389.253 2.256 20 0 GEADMO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000579581825 652345059 /nfs/dbraw/zinc/34/50/59/652345059.db2.gz KZGLKVGXEUPJBU-JKSUJKDBSA-N 1 1 382.913 2.028 20 0 GEADMO C[C@H](CO[C@@H]1CCOC1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659261658 652351103 /nfs/dbraw/zinc/35/11/03/652351103.db2.gz XRUQCLGULANPHY-RKDXNWHRSA-N 1 1 375.288 2.038 20 0 GEADMO CCN(CCCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000659281451 652352213 /nfs/dbraw/zinc/35/22/13/652352213.db2.gz SNGILRIJMRJUKM-CQSZACIVSA-N 1 1 396.340 2.042 20 0 GEADMO COCCOCCCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659277840 652352251 /nfs/dbraw/zinc/35/22/51/652352251.db2.gz FYERNZJPXIXPNN-UHFFFAOYSA-N 1 1 377.304 2.287 20 0 GEADMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000625529333 652352744 /nfs/dbraw/zinc/35/27/44/652352744.db2.gz VMAGAUMLIHCKDX-JQWIXIFHSA-N 1 1 377.432 2.324 20 0 GEADMO C[NH2+][C@@H](C(=O)Nc1ccn(CC(=O)N(C)C)n1)c1cccc(Cl)c1Cl ZINC000659282461 652352921 /nfs/dbraw/zinc/35/29/21/652352921.db2.gz LMRBJAFOGPXZRD-OAHLLOKOSA-N 1 1 384.267 2.177 20 0 GEADMO COCC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625542407 652353873 /nfs/dbraw/zinc/35/38/73/652353873.db2.gz AIPZRNOLCSDSAT-HYVNUMGLSA-N 1 1 379.298 2.125 20 0 GEADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000625547495 652354385 /nfs/dbraw/zinc/35/43/85/652354385.db2.gz MNCBKGARTAYIRY-UHFFFAOYSA-N 1 1 377.794 2.253 20 0 GEADMO C[C@@H]([NH2+]CCN1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000579877730 652359365 /nfs/dbraw/zinc/35/93/65/652359365.db2.gz TUNWUGZORVQIIC-SNVBAGLBSA-N 1 1 380.246 2.175 20 0 GEADMO COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000580119772 652367613 /nfs/dbraw/zinc/36/76/13/652367613.db2.gz HBLJWXFNHHTEJS-ZDUSSCGKSA-N 1 1 375.922 2.099 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000580158632 652367905 /nfs/dbraw/zinc/36/79/05/652367905.db2.gz QNIAUZFSJDALNV-QGZVFWFLSA-N 1 1 398.276 2.389 20 0 GEADMO NS(=O)(=O)CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625706316 652368506 /nfs/dbraw/zinc/36/85/06/652368506.db2.gz ZYJSFVCFAGFRMV-CYBMUJFWSA-N 1 1 379.345 2.294 20 0 GEADMO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659872114 652368841 /nfs/dbraw/zinc/36/88/41/652368841.db2.gz BBDYECMTRCDVRY-NSHDSACASA-N 1 1 393.285 2.486 20 0 GEADMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659872114 652368842 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O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000626546082 653056766 /nfs/dbraw/zinc/05/67/66/653056766.db2.gz FUOKRVUYVGAZQU-SNVBAGLBSA-N 1 1 385.852 2.186 20 0 GEADMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000601293842 653085314 /nfs/dbraw/zinc/08/53/14/653085314.db2.gz KXAGAMKZRFIVGK-GUBZILKMSA-N 1 1 375.238 2.305 20 0 GEADMO O=C(CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1)Nc1c(Cl)cccc1Cl ZINC000639855176 653086394 /nfs/dbraw/zinc/08/63/94/653086394.db2.gz ADESSFFFDJOMKK-GFCCVEGCSA-N 1 1 384.267 2.315 20 0 GEADMO O=C(CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1)Nc1c(Cl)cccc1Cl ZINC000639855176 653086397 /nfs/dbraw/zinc/08/63/97/653086397.db2.gz ADESSFFFDJOMKK-GFCCVEGCSA-N 1 1 384.267 2.315 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639954905 653089707 /nfs/dbraw/zinc/08/97/07/653089707.db2.gz VYOHIVLEXITBPS-XQJGPMGFSA-N 1 1 384.263 2.305 20 0 GEADMO CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@](C)(CO)C1 ZINC000640011450 653093312 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O=c1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)nc2ccc(Br)cn12 ZINC000676479945 653097218 /nfs/dbraw/zinc/09/72/18/653097218.db2.gz ZLKQLXMUNNERGW-HNNXBMFYSA-N 1 1 388.269 2.491 20 0 GEADMO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676868656 653111860 /nfs/dbraw/zinc/11/18/60/653111860.db2.gz YJSRMKBWSJEZBA-AWEZNQCLSA-N 1 1 385.277 2.454 20 0 GEADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000768502046 653114225 /nfs/dbraw/zinc/11/42/25/653114225.db2.gz KMBBYHLFXKWSPE-JSGCOSHPSA-N 1 1 392.297 2.352 20 0 GEADMO Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](CC(N)=O)C3)C2=O)ccc1Br ZINC000676904184 653116232 /nfs/dbraw/zinc/11/62/32/653116232.db2.gz VRPNCEHHGQAVRM-XJKSGUPXSA-N 1 1 394.313 2.450 20 0 GEADMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2nn(C)cc2Br)CC1 ZINC000640312362 653116649 /nfs/dbraw/zinc/11/66/49/653116649.db2.gz AONOVIAAPLBVEU-UHFFFAOYSA-N 1 1 394.273 2.961 20 0 GEADMO Cc1cc(CNC(=O)Nc2nn(C)cc2Br)cc(N2CCCC2)[nH+]1 ZINC000640316014 653119419 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CCSc1nnc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000642400597 653246591 /nfs/dbraw/zinc/24/65/91/653246591.db2.gz VAVHGXYPEUZSGC-UHFFFAOYSA-N 1 1 385.559 2.807 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000642515401 653247886 /nfs/dbraw/zinc/24/78/86/653247886.db2.gz PRAMETCWZHDKAX-AWEZNQCLSA-N 1 1 388.917 2.224 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000642515401 653247889 /nfs/dbraw/zinc/24/78/89/653247889.db2.gz PRAMETCWZHDKAX-AWEZNQCLSA-N 1 1 388.917 2.224 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000684046565 653251748 /nfs/dbraw/zinc/25/17/48/653251748.db2.gz ZYHMYVQSNYQQTO-OAHLLOKOSA-N 1 1 384.307 2.477 20 0 GEADMO COc1cc(COC(=O)CCCC[NH+]2CCOCC2)c(Br)cn1 ZINC000856934128 653253912 /nfs/dbraw/zinc/25/39/12/653253912.db2.gz AJRRQHFPRMBZEP-UHFFFAOYSA-N 1 1 387.274 2.398 20 0 GEADMO CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000856946113 653258514 /nfs/dbraw/zinc/25/85/14/653258514.db2.gz FACYZXBXTVBFJH-DZGCQCFKSA-N 1 1 377.360 2.380 20 0 GEADMO CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000856946113 653258554 /nfs/dbraw/zinc/25/85/54/653258554.db2.gz FACYZXBXTVBFJH-DZGCQCFKSA-N 1 1 377.360 2.380 20 0 GEADMO COC1CC[NH+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000684103602 653259261 /nfs/dbraw/zinc/25/92/61/653259261.db2.gz HJQRBCZQHVKJEH-UHFFFAOYSA-N 1 1 384.395 2.234 20 0 GEADMO COc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1Br ZINC000874095179 653261924 /nfs/dbraw/zinc/26/19/24/653261924.db2.gz RMJJDMGLCVVALY-UHFFFAOYSA-N 1 1 398.301 2.339 20 0 GEADMO CN(C(=O)c1ncccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000684440069 653265759 /nfs/dbraw/zinc/26/57/59/653265759.db2.gz NEMFZXXRBHIEOO-AWEZNQCLSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ncccc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000684440069 653265761 /nfs/dbraw/zinc/26/57/61/653265761.db2.gz NEMFZXXRBHIEOO-AWEZNQCLSA-N 1 1 381.318 2.085 20 0 GEADMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000857018631 653276352 /nfs/dbraw/zinc/27/63/52/653276352.db2.gz IOWWPRBUAGOEBY-LLVKDONJSA-N 1 1 386.242 2.444 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857034618 653278617 /nfs/dbraw/zinc/27/86/17/653278617.db2.gz LHNDDFYASGKBEI-GFCCVEGCSA-N 1 1 386.290 2.453 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(F)c1Br ZINC000874172634 653279206 /nfs/dbraw/zinc/27/92/06/653279206.db2.gz CWQPZFHYTOYNDQ-BXUZGUMPSA-N 1 1 398.276 2.388 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CC[C@H]21 ZINC000874171383 653279314 /nfs/dbraw/zinc/27/93/14/653279314.db2.gz CGUZZRNVTYPSGN-QMTHXVAHSA-N 1 1 384.249 2.079 20 0 GEADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccs4)cs3)CC[C@H]21 ZINC000874174016 653279840 /nfs/dbraw/zinc/27/98/40/653279840.db2.gz PSWHEDYJQLGROC-WCQYABFASA-N 1 1 376.507 2.363 20 0 GEADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CC[C@H]21 ZINC000874172773 653279946 /nfs/dbraw/zinc/27/99/46/653279946.db2.gz KXHKDSOJROJAKW-IINYFYTJSA-N 1 1 384.249 2.079 20 0 GEADMO C[C@@H](NC(=O)c1cnnn1-c1c(Cl)cccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000684592464 653280830 /nfs/dbraw/zinc/28/08/30/653280830.db2.gz PFMYRQQXDJKYFQ-QMTHXVAHSA-N 1 1 384.267 2.023 20 0 GEADMO C[C@@H](NC(=O)c1cnnn1-c1c(Cl)cccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000684592464 653280857 /nfs/dbraw/zinc/28/08/57/653280857.db2.gz PFMYRQQXDJKYFQ-QMTHXVAHSA-N 1 1 384.267 2.023 20 0 GEADMO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1Cl ZINC000809710914 653291482 /nfs/dbraw/zinc/29/14/82/653291482.db2.gz CSUZEOSAAGMCHR-VIFPVBQESA-N 1 1 394.747 2.445 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]Cc1cnnn1C ZINC000809784683 653294624 /nfs/dbraw/zinc/29/46/24/653294624.db2.gz XFUYUYNKWRJVCZ-UHFFFAOYSA-N 1 1 397.273 2.118 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000685102644 653295936 /nfs/dbraw/zinc/29/59/36/653295936.db2.gz FMKBOFKMAIPYBA-SWLSCSKDSA-N 1 1 394.313 2.115 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000685102643 653296045 /nfs/dbraw/zinc/29/60/45/653296045.db2.gz FMKBOFKMAIPYBA-IUODEOHRSA-N 1 1 394.313 2.115 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000685103229 653296721 /nfs/dbraw/zinc/29/67/21/653296721.db2.gz XLRBWNLNDQOLDD-AWEZNQCLSA-N 1 1 396.329 2.174 20 0 GEADMO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)[NH+]2CCCC2)o1 ZINC000775191287 653302858 /nfs/dbraw/zinc/30/28/58/653302858.db2.gz FZAOWTKCYKZDOB-STQMWFEESA-N 1 1 388.295 2.151 20 0 GEADMO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000775200684 653304190 /nfs/dbraw/zinc/30/41/90/653304190.db2.gz YEMUBMNKTCZELQ-HUUCEWRRSA-N 1 1 384.307 2.077 20 0 GEADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](CCO)C[C@@H](C)O ZINC000685589670 653305926 /nfs/dbraw/zinc/30/59/26/653305926.db2.gz DJWOHCLUULCVRM-CQSZACIVSA-N 1 1 387.318 2.460 20 0 GEADMO COC1CCN(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685617966 653310143 /nfs/dbraw/zinc/31/01/43/653310143.db2.gz VTGJZMOIAALDLC-UHFFFAOYSA-N 1 1 394.317 2.230 20 0 GEADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000685716245 653311821 /nfs/dbraw/zinc/31/18/21/653311821.db2.gz HZKNKWAFWKMTNF-LLVKDONJSA-N 1 1 382.814 2.091 20 0 GEADMO O=C(Cn1c[nH+]c2c1CCCC2)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000857336652 653312264 /nfs/dbraw/zinc/31/22/64/653312264.db2.gz UPPSNUQLLFIYTR-UHFFFAOYSA-N 1 1 390.281 2.254 20 0 GEADMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000874363188 653312473 /nfs/dbraw/zinc/31/24/73/653312473.db2.gz NTWZCNXLUIWSIH-UONOGXRCSA-N 1 1 384.249 2.222 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874365184 653313239 /nfs/dbraw/zinc/31/32/39/653313239.db2.gz QHLJQYJZIDLIQG-LSDHHAIUSA-N 1 1 380.286 2.391 20 0 GEADMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1Br ZINC000874364715 653313411 /nfs/dbraw/zinc/31/34/11/653313411.db2.gz NPQMXSXEQFUNPV-KGLIPLIRSA-N 1 1 396.285 2.091 20 0 GEADMO Cn1nnc(Br)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000809938551 653314087 /nfs/dbraw/zinc/31/40/87/653314087.db2.gz YEJSFRWVFKCSDO-NSHDSACASA-N 1 1 386.681 2.264 20 0 GEADMO CC1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)OCCO1 ZINC000775527497 653316351 /nfs/dbraw/zinc/31/63/51/653316351.db2.gz YOIYRYGPRWGLQR-LBPRGKRZSA-N 1 1 376.272 2.020 20 0 GEADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000809999287 653317467 /nfs/dbraw/zinc/31/74/67/653317467.db2.gz FKGQFFUYPYILRX-KBPBESRZSA-N 1 1 387.571 2.125 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c(Cl)cc1Cl ZINC000775574233 653317761 /nfs/dbraw/zinc/31/77/61/653317761.db2.gz CRTRAVPJTNQCKY-VIFPVBQESA-N 1 1 381.281 2.153 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c(Cl)cc1Cl ZINC000775574233 653317768 /nfs/dbraw/zinc/31/77/68/653317768.db2.gz CRTRAVPJTNQCKY-VIFPVBQESA-N 1 1 381.281 2.153 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000857376881 653317937 /nfs/dbraw/zinc/31/79/37/653317937.db2.gz KRHMDABOSVZYTO-MGPQQGTHSA-N 1 1 376.328 2.019 20 0 GEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncnc(F)c1Br ZINC000711190210 653323417 /nfs/dbraw/zinc/32/34/17/653323417.db2.gz KBPMORJMMJFGDK-KRWDZBQOSA-N 1 1 395.276 2.451 20 0 GEADMO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000810119531 653327160 /nfs/dbraw/zinc/32/71/60/653327160.db2.gz CDCCZVJFCCBHPB-LBPRGKRZSA-N 1 1 396.962 2.142 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000810119531 653327162 /nfs/dbraw/zinc/32/71/62/653327162.db2.gz CDCCZVJFCCBHPB-LBPRGKRZSA-N 1 1 396.962 2.142 20 0 GEADMO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000810119394 653327169 /nfs/dbraw/zinc/32/71/69/653327169.db2.gz AWYPDPRVNQWJDO-LBPRGKRZSA-N 1 1 398.497 2.082 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000810119394 653327172 /nfs/dbraw/zinc/32/71/72/653327172.db2.gz AWYPDPRVNQWJDO-LBPRGKRZSA-N 1 1 398.497 2.082 20 0 GEADMO C[C@@H](c1ccc(NC(=O)c2c(Br)nnn2C)cc1)[NH+]1CCOCC1 ZINC000810354831 653335873 /nfs/dbraw/zinc/33/58/73/653335873.db2.gz JYSQHXUQCHMOGJ-NSHDSACASA-N 1 1 394.273 2.223 20 0 GEADMO Cc1cnc(Br)cc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000776047197 653336026 /nfs/dbraw/zinc/33/60/26/653336026.db2.gz CUDDCEGTTJUWEE-GFCCVEGCSA-N 1 1 384.322 2.158 20 0 GEADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000874828266 653338419 /nfs/dbraw/zinc/33/84/19/653338419.db2.gz GRBWXFMUMKCHFI-OLZOCXBDSA-N 1 1 379.258 2.340 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836349481 653346074 /nfs/dbraw/zinc/34/60/74/653346074.db2.gz JYRQKHYRWJTANF-XJKSGUPXSA-N 1 1 393.359 2.202 20 0 GEADMO C[C@H]1CN(c2ccc(C[NH2+]Cc3cn(C)nc3Br)cn2)CCO1 ZINC000858099136 653348591 /nfs/dbraw/zinc/34/85/91/653348591.db2.gz WSECZNRFPPOPEF-LBPRGKRZSA-N 1 1 380.290 2.093 20 0 GEADMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000810623078 653349017 /nfs/dbraw/zinc/34/90/17/653349017.db2.gz ZEMBLSHMSBIXKC-OCCSQVGLSA-N 1 1 383.495 2.038 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCSCCC(F)(F)F ZINC000875122310 653353187 /nfs/dbraw/zinc/35/31/87/653353187.db2.gz MGVTVZHFKJWHEF-CHWSQXEVSA-N 1 1 383.480 2.025 20 0 GEADMO Cc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)ncc1Br ZINC000858189893 653353880 /nfs/dbraw/zinc/35/38/80/653353880.db2.gz YKLOGGGETPATND-UHFFFAOYSA-N 1 1 375.210 2.219 20 0 GEADMO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000875132479 653354162 /nfs/dbraw/zinc/35/41/62/653354162.db2.gz QVQFRCAXQBBCFV-NOLJZWGESA-N 1 1 394.313 2.179 20 0 GEADMO Cc1cc(C)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c(C)c1Br ZINC000858243916 653356924 /nfs/dbraw/zinc/35/69/24/653356924.db2.gz QNNOASPSLHMUNT-UHFFFAOYSA-N 1 1 382.302 2.054 20 0 GEADMO COc1ncc(Br)cc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000858249089 653357430 /nfs/dbraw/zinc/35/74/30/653357430.db2.gz JMVDHXMGQCSLLM-UHFFFAOYSA-N 1 1 380.242 2.007 20 0 GEADMO 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C[C@](O)(C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1F ZINC000852439494 654240143 /nfs/dbraw/zinc/24/01/43/654240143.db2.gz DGHVVSHMXKSBRU-LRDDRELGSA-N 1 1 387.249 2.322 20 0 GEADMO CO[C@H](CS(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(F)cc1 ZINC000921322687 654247565 /nfs/dbraw/zinc/24/75/65/654247565.db2.gz WYVIMVPVBAUZIE-GVDBMIGSSA-N 1 1 388.530 2.012 20 0 GEADMO CO[C@H](CS(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc(F)cc1 ZINC000921322687 654247568 /nfs/dbraw/zinc/24/75/68/654247568.db2.gz WYVIMVPVBAUZIE-GVDBMIGSSA-N 1 1 388.530 2.012 20 0 GEADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1(n3cc(Br)cn3)CC1)CC2 ZINC000832251513 654253769 /nfs/dbraw/zinc/25/37/69/654253769.db2.gz ONSJGEJYXJFDTN-LBPRGKRZSA-N 1 1 378.274 2.018 20 0 GEADMO O=C(NCCCNc1ncccn1)c1sc2c(c1Br)C[NH2+]C2 ZINC000852790393 654260653 /nfs/dbraw/zinc/26/06/53/654260653.db2.gz QSLFFQSXMODLLH-UHFFFAOYSA-N 1 1 382.287 2.136 20 0 GEADMO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@@H]1C(F)(F)F ZINC000871812709 654263171 /nfs/dbraw/zinc/26/31/71/654263171.db2.gz BYQXOSXCYQUVGX-APPZFPTMSA-N 1 1 392.321 2.169 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C2)C1 ZINC000891146915 654267446 /nfs/dbraw/zinc/26/74/46/654267446.db2.gz YWNKGVIIUGPFIK-CRAIPNDOSA-N 1 1 393.281 2.085 20 0 GEADMO CC[C@@H](C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)[NH+](CC)CC ZINC000891261754 654277924 /nfs/dbraw/zinc/27/79/24/654277924.db2.gz NKJIQJORCVPMLM-GZBFAFLISA-N 1 1 384.464 2.075 20 0 GEADMO CN1C(=O)N(C[C@@H]2C[N@H+](C)CCN2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086165 654278753 /nfs/dbraw/zinc/27/87/53/654278753.db2.gz FXLUFKRHDFXCHC-NHYWBVRUSA-N 1 1 385.295 2.174 20 0 GEADMO CN1C(=O)N(C[C@@H]2C[N@@H+](C)CCN2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086165 654278756 /nfs/dbraw/zinc/27/87/56/654278756.db2.gz FXLUFKRHDFXCHC-NHYWBVRUSA-N 1 1 385.295 2.174 20 0 GEADMO COC(=O)[C@H](Nc1cc2n(n1)CC[N@@H+](C)C2)c1cccc(Br)c1 ZINC000871926006 654280841 /nfs/dbraw/zinc/28/08/41/654280841.db2.gz CSOOHQIZPVDPCO-OAHLLOKOSA-N 1 1 379.258 2.417 20 0 GEADMO C[N@H+]1CCn2nc(N[C@@H]3CCN(c4cccc(Br)c4)C3=O)cc2C1 ZINC000871927539 654281381 /nfs/dbraw/zinc/28/13/81/654281381.db2.gz WPDHQFOEFAGGJO-OAHLLOKOSA-N 1 1 390.285 2.308 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000891308478 654281455 /nfs/dbraw/zinc/28/14/55/654281455.db2.gz OLBWUHYPPUGRBE-SECBINFHSA-N 1 1 379.766 2.388 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000891308478 654281461 /nfs/dbraw/zinc/28/14/61/654281461.db2.gz OLBWUHYPPUGRBE-SECBINFHSA-N 1 1 379.766 2.388 20 0 GEADMO Brc1ccc(N2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903767433 654282393 /nfs/dbraw/zinc/28/23/93/654282393.db2.gz XIUWRSZPMSQSOD-ZWKOTPCHSA-N 1 1 380.330 2.340 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(N)c(C)cc2Br)CC1 ZINC000803852997 654294752 /nfs/dbraw/zinc/29/47/52/654294752.db2.gz HQYDFVQQAUHUFZ-LBPRGKRZSA-N 1 1 398.301 2.049 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853454525 654296379 /nfs/dbraw/zinc/29/63/79/654296379.db2.gz UBENFXVMVYZEIF-UHFFFAOYSA-N 1 1 393.285 2.257 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000891527798 654299150 /nfs/dbraw/zinc/29/91/50/654299150.db2.gz ZEBHGMUEAOUDMY-SWLSCSKDSA-N 1 1 395.301 2.042 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000891527797 654299173 /nfs/dbraw/zinc/29/91/73/654299173.db2.gz ZEBHGMUEAOUDMY-IUODEOHRSA-N 1 1 395.301 2.042 20 0 GEADMO C[C@H]1CN(C(=O)c2cccnc2I)CC[N@H+](C2CC2)C1 ZINC000832950327 654300980 /nfs/dbraw/zinc/30/09/80/654300980.db2.gz XUMSIKFNIHDWFQ-LLVKDONJSA-N 1 1 385.249 2.243 20 0 GEADMO COCC[C@@H]([NH3+])c1nc(Cc2ccc(OC)c(OC)c2Br)no1 ZINC000904103180 654301740 /nfs/dbraw/zinc/30/17/40/654301740.db2.gz QHGHAAXCHDAQKY-SNVBAGLBSA-N 1 1 386.246 2.476 20 0 GEADMO Cn1nc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1Br ZINC000833057240 654302873 /nfs/dbraw/zinc/30/28/73/654302873.db2.gz YSOOYVHARUCHJP-ZDUSSCGKSA-N 1 1 379.258 2.002 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2cnc(Br)cn2)[C@@H]1c1ccccc1 ZINC000921679375 654303600 /nfs/dbraw/zinc/30/36/00/654303600.db2.gz WFFJXGHGZHPHGD-ZBFHGGJFSA-N 1 1 390.285 2.484 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2cccn3c(I)cnc23)[C@H](C)C1 ZINC000804378811 654307397 /nfs/dbraw/zinc/30/73/97/654307397.db2.gz CPPNKSOCCXYBQI-LLVKDONJSA-N 1 1 398.248 2.105 20 0 GEADMO Cc1cc2c(cc1Br)CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000904432903 654310246 /nfs/dbraw/zinc/31/02/46/654310246.db2.gz ITFGROJVSJMLNA-AWEZNQCLSA-N 1 1 380.330 2.313 20 0 GEADMO CCNC(=O)C[N@@H+]1CCCN(c2nc3cc(Br)ccc3o2)CC1 ZINC000891764001 654310566 /nfs/dbraw/zinc/31/05/66/654310566.db2.gz HACBQPSEWNSVNV-UHFFFAOYSA-N 1 1 381.274 2.239 20 0 GEADMO CCNC(=O)C[N@H+]1CCCN(c2nc3cc(Br)ccc3o2)CC1 ZINC000891764001 654310568 /nfs/dbraw/zinc/31/05/68/654310568.db2.gz HACBQPSEWNSVNV-UHFFFAOYSA-N 1 1 381.274 2.239 20 0 GEADMO O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921722945 654311555 /nfs/dbraw/zinc/31/15/55/654311555.db2.gz PSEGVVLXSYKODN-UKRRQHHQSA-N 1 1 380.583 2.443 20 0 GEADMO Cc1cc(Br)cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000891829930 654313431 /nfs/dbraw/zinc/31/34/31/654313431.db2.gz CETQAXAZSOLHFX-UHFFFAOYSA-N 1 1 381.318 2.143 20 0 GEADMO C[C@@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)[N@@H+](C)C1CC1 ZINC000853682593 654315120 /nfs/dbraw/zinc/31/51/20/654315120.db2.gz FUXWVRRYDBLCGK-LBPRGKRZSA-N 1 1 382.302 2.145 20 0 GEADMO CC1CCC(NC(=O)CN2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000891923144 654318734 /nfs/dbraw/zinc/31/87/34/654318734.db2.gz KULJRYRIECNMOY-VLWBHCEFSA-N 1 1 386.378 2.472 20 0 GEADMO CN(C[C@H](O)C[NH2+]Cc1ncc(Br)s1)C(=O)OC(C)(C)C ZINC000872239855 654319167 /nfs/dbraw/zinc/31/91/67/654319167.db2.gz LMKCFKBHBNNTLJ-SECBINFHSA-N 1 1 380.308 2.223 20 0 GEADMO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000872241496 654318874 /nfs/dbraw/zinc/31/88/74/654318874.db2.gz DHLGVQCJNFQVJO-CYBMUJFWSA-N 1 1 393.175 2.126 20 0 GEADMO O[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000921770032 654320329 /nfs/dbraw/zinc/32/03/29/654320329.db2.gz UZNGAOLWJROBPD-JTQLQIEISA-N 1 1 388.649 2.420 20 0 GEADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)n[nH]1 ZINC000834424438 654323377 /nfs/dbraw/zinc/32/33/77/654323377.db2.gz ZPATUQSEJRROIM-AWEZNQCLSA-N 1 1 393.285 2.193 20 0 GEADMO O[C@@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1(O)CCCC1 ZINC000905024464 654326845 /nfs/dbraw/zinc/32/68/45/654326845.db2.gz MBRVCARYAFHCLX-NSHDSACASA-N 1 1 378.782 2.157 20 0 GEADMO COc1ccccc1NC(=O)CN1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892159316 654332009 /nfs/dbraw/zinc/33/20/09/654332009.db2.gz ILLCMWJHDDNJND-KSSFIOAISA-N 1 1 396.329 2.425 20 0 GEADMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2nc(C3CC3)cs2)CCC1 ZINC000905166223 654335525 /nfs/dbraw/zinc/33/55/25/654335525.db2.gz OPVSNGKJUJICCV-CQSZACIVSA-N 1 1 387.571 2.112 20 0 GEADMO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)o1 ZINC000872439546 654335912 /nfs/dbraw/zinc/33/59/12/654335912.db2.gz WCDQUWCKMDQTDJ-HSZRJFAPSA-N 1 1 379.548 2.093 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[N@H+]1C ZINC000872455713 654341041 /nfs/dbraw/zinc/34/10/41/654341041.db2.gz ZJWDLNALVJFUKL-DGCLKSJQSA-N 1 1 385.917 2.376 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000921913385 654341451 /nfs/dbraw/zinc/34/14/51/654341451.db2.gz YAPGLKZVLGKABP-CQSZACIVSA-N 1 1 378.416 2.237 20 0 GEADMO CCS(=O)(=O)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000854143589 654341758 /nfs/dbraw/zinc/34/17/58/654341758.db2.gz XGMYSVGOTGUOJR-UHFFFAOYSA-N 1 1 378.273 2.099 20 0 GEADMO Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c(Br)n1 ZINC000892387824 654344056 /nfs/dbraw/zinc/34/40/56/654344056.db2.gz DOLRVSRECQGQCW-CQSZACIVSA-N 1 1 377.286 2.182 20 0 GEADMO Cn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c(Br)n1 ZINC000892387824 654344062 /nfs/dbraw/zinc/34/40/62/654344062.db2.gz DOLRVSRECQGQCW-CQSZACIVSA-N 1 1 377.286 2.182 20 0 GEADMO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000872463012 654344454 /nfs/dbraw/zinc/34/44/54/654344454.db2.gz GYHZAFGZMXHYTM-HMFCALDFSA-N 1 1 377.576 2.076 20 0 GEADMO O=C(c1cccn2ncc(Br)c12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000905252547 654345045 /nfs/dbraw/zinc/34/50/45/654345045.db2.gz LDVOLZWZINIDEE-CYBMUJFWSA-N 1 1 393.285 2.034 20 0 GEADMO O=C(NCc1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892455211 654347116 /nfs/dbraw/zinc/34/71/16/654347116.db2.gz VJGIZUNVTXSEFR-HOTGVXAUSA-N 1 1 382.302 2.190 20 0 GEADMO O=C(NCc1sccc1Br)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892499910 654348743 /nfs/dbraw/zinc/34/87/43/654348743.db2.gz ADNFUZABZQKLBE-QWHCGFSZSA-N 1 1 388.331 2.251 20 0 GEADMO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc(Br)cs1 ZINC000834798522 654349136 /nfs/dbraw/zinc/34/91/36/654349136.db2.gz HUNIXENNMHEAFY-ZJUUUORDSA-N 1 1 382.349 2.370 20 0 GEADMO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc(Br)cs1 ZINC000834798520 654349224 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ZINC000932575906 654782567 /nfs/dbraw/zinc/78/25/67/654782567.db2.gz JXFGSBKBVLQHKB-INIZCTEOSA-N 1 1 395.345 2.393 20 0 GEADMO Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932575906 654782570 /nfs/dbraw/zinc/78/25/70/654782570.db2.gz JXFGSBKBVLQHKB-INIZCTEOSA-N 1 1 395.345 2.393 20 0 GEADMO C[C@@H](C(=O)N1CC(Cc2cccc(Br)c2)C1)N1CC[NH+](C)CC1 ZINC000913095652 654782724 /nfs/dbraw/zinc/78/27/24/654782724.db2.gz QWONPBYIMPFKKN-AWEZNQCLSA-N 1 1 380.330 2.086 20 0 GEADMO COC(=O)c1cnc([C@H]2CC[N@@H+](C[C@H](O)COCc3cccs3)C2)s1 ZINC000932660555 654784647 /nfs/dbraw/zinc/78/46/47/654784647.db2.gz QINCPILSMFUFKZ-STQMWFEESA-N 1 1 382.507 2.358 20 0 GEADMO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000913160278 654785877 /nfs/dbraw/zinc/78/58/77/654785877.db2.gz XAABMWHZBYGPKR-ZDUSSCGKSA-N 1 1 385.295 2.251 20 0 GEADMO COc1cc(Br)cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000932714699 654786256 /nfs/dbraw/zinc/78/62/56/654786256.db2.gz PEVJCIFYUNVLLW-CYBMUJFWSA-N 1 1 384.318 2.071 20 0 GEADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc(Cl)ccc1SC1CCCC1 ZINC000913184163 654786637 /nfs/dbraw/zinc/78/66/37/654786637.db2.gz YRXOAEPIJHKWFI-SFHVURJKSA-N 1 1 384.929 2.455 20 0 GEADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000913346401 654789409 /nfs/dbraw/zinc/78/94/09/654789409.db2.gz NEOAZQGQHNMHDS-QGZVFWFLSA-N 1 1 385.277 2.320 20 0 GEADMO Cc1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C)c1Br ZINC000932775438 654789484 /nfs/dbraw/zinc/78/94/84/654789484.db2.gz NFDXTGRDDZAMAJ-QWRGUYRKSA-N 1 1 385.306 2.380 20 0 GEADMO CO[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc(Br)s1 ZINC000913428080 654791697 /nfs/dbraw/zinc/79/16/97/654791697.db2.gz SGXFJBOZSVGWLH-GXFFZTMASA-N 1 1 391.331 2.160 20 0 GEADMO NC(=O)C12CCC(CC1)[N@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000932931585 654794764 /nfs/dbraw/zinc/79/47/64/654794764.db2.gz MJHZGZFZLGQJLX-UHFFFAOYSA-N 1 1 384.249 2.399 20 0 GEADMO O=C(c1nn2c(c1Br)CCC2)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000913479578 654795072 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375.531 2.024 20 0 GEADMO CCS(=O)(=O)CCCCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@H]1CCCO1 ZINC000933182162 654804223 /nfs/dbraw/zinc/80/42/23/654804223.db2.gz KWAFFFBHFWOWFJ-GVDBMIGSSA-N 1 1 375.531 2.024 20 0 GEADMO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](CCCCCO)CC2)n1 ZINC000913688108 654804434 /nfs/dbraw/zinc/80/44/34/654804434.db2.gz LDYHAOLKRNOPLM-UHFFFAOYSA-N 1 1 387.322 2.147 20 0 GEADMO C[C@@H](CNC(=O)c1cc(Br)c2nccnc2c1)C[NH+]1CCOCC1 ZINC000933277662 654806081 /nfs/dbraw/zinc/80/60/81/654806081.db2.gz JIQJGJSFAXFDNT-LBPRGKRZSA-N 1 1 393.285 2.090 20 0 GEADMO CN1CCN(C(=O)Nc2c(F)ccc(Br)c2F)CC[N@@H+](C)CC1 ZINC000933303104 654807658 /nfs/dbraw/zinc/80/76/58/654807658.db2.gz RYGRCLMSBPMWHI-UHFFFAOYSA-N 1 1 391.260 2.438 20 0 GEADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000913768309 654808575 /nfs/dbraw/zinc/80/85/75/654808575.db2.gz ZJIYVTSUZAYUEG-SPUZQDLCSA-N 1 1 379.298 2.050 20 0 GEADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccncc2Br)C1 ZINC000913806752 654810181 /nfs/dbraw/zinc/81/01/81/654810181.db2.gz BCVKUPJEOVEWNE-QWHCGFSZSA-N 1 1 398.301 2.296 20 0 GEADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccncc2Br)C1 ZINC000913806752 654810182 /nfs/dbraw/zinc/81/01/82/654810182.db2.gz BCVKUPJEOVEWNE-QWHCGFSZSA-N 1 1 398.301 2.296 20 0 GEADMO C[C@H](NC(=O)c1cc(Br)cnc1C1CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000933381860 654810682 /nfs/dbraw/zinc/81/06/82/654810682.db2.gz DQXOQTYWEAFLNH-XHDPSFHLSA-N 1 1 381.318 2.086 20 0 GEADMO CN(C1CC[NH+](C)CC1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000913820329 654810927 /nfs/dbraw/zinc/81/09/27/654810927.db2.gz WJVQTWOHNHVAOH-XMMPIXPASA-N 1 1 399.460 2.304 20 0 GEADMO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1C[N@@H+](C)CCN1C ZINC000933387852 654811390 /nfs/dbraw/zinc/81/13/90/654811390.db2.gz PNOQWABNBDMNIY-MLGOLLRUSA-N 1 1 391.313 2.361 20 0 GEADMO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000933546339 654816408 /nfs/dbraw/zinc/81/64/08/654816408.db2.gz QEYZCNUHQCHXNN-ZDUSSCGKSA-N 1 1 397.317 2.157 20 0 GEADMO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914091062 654826079 /nfs/dbraw/zinc/82/60/79/654826079.db2.gz UXTHBAYACKKYLG-YYUOZPCZSA-N 1 1 399.460 2.304 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000933778782 654827439 /nfs/dbraw/zinc/82/74/39/654827439.db2.gz IQJPFMDLVHDXER-GFCCVEGCSA-N 1 1 380.290 2.296 20 0 GEADMO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899106 654829381 /nfs/dbraw/zinc/82/93/81/654829381.db2.gz LSRPIPQGXNSNIS-UKRRQHHQSA-N 1 1 390.249 2.165 20 0 GEADMO CN1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+](C)CC1 ZINC000933991561 654833695 /nfs/dbraw/zinc/83/36/95/654833695.db2.gz FSFGVMCUMMPIES-QGZVFWFLSA-N 1 1 385.339 2.278 20 0 GEADMO Cc1cc(NC(=O)[C@@H](C)N2CCN(C)CC[N@@H+](C)CC2)ccc1Br ZINC000933994455 654833703 /nfs/dbraw/zinc/83/37/03/654833703.db2.gz QGNYVNMTSHXUCG-OAHLLOKOSA-N 1 1 397.361 2.264 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2occc2Br)C1 ZINC000914213173 654835548 /nfs/dbraw/zinc/83/55/48/654835548.db2.gz WUVVQKPKXDBHFR-GFCCVEGCSA-N 1 1 377.304 2.395 20 0 GEADMO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934221503 654839176 /nfs/dbraw/zinc/83/91/76/654839176.db2.gz DIABVAKKYVHEDD-LBPRGKRZSA-N 1 1 377.432 2.432 20 0 GEADMO OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2CCOc1cc(F)cc(Br)c1 ZINC000934264112 654841240 /nfs/dbraw/zinc/84/12/40/654841240.db2.gz FZJZJKRUECAEEX-IAGOWNOFSA-N 1 1 387.293 2.498 20 0 GEADMO OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOc1cc(F)cc(Br)c1 ZINC000934264112 654841243 /nfs/dbraw/zinc/84/12/43/654841243.db2.gz FZJZJKRUECAEEX-IAGOWNOFSA-N 1 1 387.293 2.498 20 0 GEADMO OCCN1CCC[C@@H]2[C@H]1CC[N@H+]2CCOc1cc(F)cc(Br)c1 ZINC000934264112 654841244 /nfs/dbraw/zinc/84/12/44/654841244.db2.gz FZJZJKRUECAEEX-IAGOWNOFSA-N 1 1 387.293 2.498 20 0 GEADMO Cc1cc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1Br ZINC000934263466 654841338 /nfs/dbraw/zinc/84/13/38/654841338.db2.gz POAYSIXCCASXPZ-IAGOWNOFSA-N 1 1 396.329 2.227 20 0 GEADMO COC(=O)c1cccc(Br)c1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934268200 654842155 /nfs/dbraw/zinc/84/21/55/654842155.db2.gz IAKUOCVEPLQJJW-DLBZAZTESA-N 1 1 397.313 2.267 20 0 GEADMO Cc1c(Br)cncc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934274327 654842438 /nfs/dbraw/zinc/84/24/38/654842438.db2.gz QWOZRLAXLJCXHA-LSDHHAIUSA-N 1 1 383.290 2.215 20 0 GEADMO C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000914298748 654843013 /nfs/dbraw/zinc/84/30/13/654843013.db2.gz GCOJSTURTMXEDM-BBRMVZONSA-N 1 1 381.318 2.279 20 0 GEADMO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000914308010 654844182 /nfs/dbraw/zinc/84/41/82/654844182.db2.gz KWXHYFYEDHYHRH-SUMWQHHRSA-N 1 1 385.599 2.320 20 0 GEADMO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934364470 654845955 /nfs/dbraw/zinc/84/59/55/654845955.db2.gz HZZWMQVGMLAVHD-ZIAGYGMSSA-N 1 1 398.305 2.043 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934370639 654846993 /nfs/dbraw/zinc/84/69/93/654846993.db2.gz VLMAVBKCRTUFOA-LBPRGKRZSA-N 1 1 399.337 2.128 20 0 GEADMO CC(F)(F)CCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000914349896 654847518 /nfs/dbraw/zinc/84/75/18/654847518.db2.gz SHLIQXHPTVGBJD-MRXNPFEDSA-N 1 1 376.469 2.108 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375917 654848179 /nfs/dbraw/zinc/84/81/79/654848179.db2.gz PBDMMMXRYSETBZ-GFCCVEGCSA-N 1 1 386.294 2.213 20 0 GEADMO NC(=O)[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1F ZINC000934400576 654849028 /nfs/dbraw/zinc/84/90/28/654849028.db2.gz PZUJTOAUJGMNIC-KBPBESRZSA-N 1 1 387.249 2.042 20 0 GEADMO CN(CC[N@H+](C)C1CC1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914387344 654849959 /nfs/dbraw/zinc/84/99/59/654849959.db2.gz XHCCOYUIVBHEGV-DEOSSOPVSA-N 1 1 399.460 2.304 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914387344 654849961 /nfs/dbraw/zinc/84/99/61/654849961.db2.gz XHCCOYUIVBHEGV-DEOSSOPVSA-N 1 1 399.460 2.304 20 0 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O=S(=O)(NC1CC[NH+](Cc2cccc3nccn32)CC1)c1cccs1 ZINC000179647752 532239894 /nfs/dbraw/zinc/23/98/94/532239894.db2.gz LWBXMDUYVHSQTO-UHFFFAOYSA-N 1 1 376.507 2.339 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000133810472 532243890 /nfs/dbraw/zinc/24/38/90/532243890.db2.gz OMQOJHDTILAHSX-CRAIPNDOSA-N 1 1 381.567 2.460 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000133810472 532243894 /nfs/dbraw/zinc/24/38/94/532243894.db2.gz OMQOJHDTILAHSX-CRAIPNDOSA-N 1 1 381.567 2.460 20 0 GEADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cncc(I)c2)C1 ZINC000133964673 532246759 /nfs/dbraw/zinc/24/67/59/532246759.db2.gz KCWLQMNKIKVJOP-BXUZGUMPSA-N 1 1 385.249 2.243 20 0 GEADMO C[C@@H](NC(=O)NCCc1cc(Br)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000134018969 532247653 /nfs/dbraw/zinc/24/76/53/532247653.db2.gz PFVBDFQBJQINTK-ABAIWWIYSA-N 1 1 388.281 2.149 20 0 GEADMO C[C@@H](NC(=O)NCCc1cc(Br)ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000134018969 532247659 /nfs/dbraw/zinc/24/76/59/532247659.db2.gz PFVBDFQBJQINTK-ABAIWWIYSA-N 1 1 388.281 2.149 20 0 GEADMO COC(=O)c1coc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000134175021 532250681 /nfs/dbraw/zinc/25/06/81/532250681.db2.gz JISUHCFASDPDSU-CYBMUJFWSA-N 1 1 384.479 2.243 20 0 GEADMO CN1C[C@@H]([NH2+]Cc2ncc(Br)cc2Br)CCC1=O ZINC000135303668 532269903 /nfs/dbraw/zinc/26/99/03/532269903.db2.gz NWJVGVRAXMJGMN-VIFPVBQESA-N 1 1 377.080 2.317 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000135350423 532271496 /nfs/dbraw/zinc/27/14/96/532271496.db2.gz SIAWLZAXZISLDP-MYYSRTQBSA-N 1 1 394.320 2.347 20 0 GEADMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000134318881 532254213 /nfs/dbraw/zinc/25/42/13/532254213.db2.gz LMJFBJRTDKNMPA-CYBMUJFWSA-N 1 1 384.527 2.133 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180047752 532254426 /nfs/dbraw/zinc/25/44/26/532254426.db2.gz KXEOTOOKBWRJMM-UHFFFAOYSA-N 1 1 378.217 2.122 20 0 GEADMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000134536315 532257945 /nfs/dbraw/zinc/25/79/45/532257945.db2.gz DTTQZTPBZVJNBY-UHFFFAOYSA-N 1 1 389.315 2.402 20 0 GEADMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000134548305 532258888 /nfs/dbraw/zinc/25/88/88/532258888.db2.gz SACYNTSYLUPIRW-ZDUSSCGKSA-N 1 1 380.905 2.472 20 0 GEADMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000134548305 532258892 /nfs/dbraw/zinc/25/88/92/532258892.db2.gz SACYNTSYLUPIRW-ZDUSSCGKSA-N 1 1 380.905 2.472 20 0 GEADMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCCC[C@@H](SC)C1 ZINC000134606015 532259525 /nfs/dbraw/zinc/25/95/25/532259525.db2.gz XAPMIQPPHRKTLK-MRXNPFEDSA-N 1 1 383.583 2.430 20 0 GEADMO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1nc2ccccc2n1C ZINC000180202031 532260686 /nfs/dbraw/zinc/26/06/86/532260686.db2.gz SSHNZBQWADQMHV-STQMWFEESA-N 1 1 379.507 2.120 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000135381732 532272400 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COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000180843668 532283473 /nfs/dbraw/zinc/28/34/73/532283473.db2.gz HWISWZBMFKSLKZ-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(Br)c2C)[C@@H](C)C1 ZINC000180869900 532284444 /nfs/dbraw/zinc/28/44/44/532284444.db2.gz KJSKMGWKMUBZID-LBPRGKRZSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(Br)c2C)[C@@H](C)C1 ZINC000180869900 532284449 /nfs/dbraw/zinc/28/44/49/532284449.db2.gz KJSKMGWKMUBZID-LBPRGKRZSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000180878333 532284901 /nfs/dbraw/zinc/28/49/01/532284901.db2.gz KBXFCSBGMMMVMC-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000180878333 532284905 /nfs/dbraw/zinc/28/49/05/532284905.db2.gz KBXFCSBGMMMVMC-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)c1ccccc1Br ZINC000180951131 532286288 /nfs/dbraw/zinc/28/62/88/532286288.db2.gz YJIACHGYCOTEHE-SFHVURJKSA-N 1 1 384.362 2.440 20 0 GEADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)c1ccccc1Br ZINC000180951131 532286291 /nfs/dbraw/zinc/28/62/91/532286291.db2.gz YJIACHGYCOTEHE-SFHVURJKSA-N 1 1 384.362 2.440 20 0 GEADMO C[NH+]1CCN(C(=O)CCNC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000140623075 532293998 /nfs/dbraw/zinc/29/39/98/532293998.db2.gz GMMOYDRWEUMFPM-UHFFFAOYSA-N 1 1 398.941 2.419 20 0 GEADMO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000181397057 532296853 /nfs/dbraw/zinc/29/68/53/532296853.db2.gz LYKVEHPGTKBMIY-BXUZGUMPSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000181397057 532296856 /nfs/dbraw/zinc/29/68/56/532296856.db2.gz LYKVEHPGTKBMIY-BXUZGUMPSA-N 1 1 388.249 2.465 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000144402385 532297016 /nfs/dbraw/zinc/29/70/16/532297016.db2.gz YKIDQVUYDWJUIK-UHFFFAOYSA-N 1 1 377.286 2.298 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc3cc(Br)ccc3[nH]2)cn1 ZINC000181444398 532298669 /nfs/dbraw/zinc/29/86/69/532298669.db2.gz AZIYQGQJRIPHFR-INIZCTEOSA-N 1 1 388.269 2.451 20 0 GEADMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CSC[NH2+]1 ZINC000150946854 532304898 /nfs/dbraw/zinc/30/48/98/532304898.db2.gz ASLYSBKNZAKETB-LLVKDONJSA-N 1 1 381.807 2.418 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCc2ccc(Br)cc2OC)C1 ZINC000181765441 532306056 /nfs/dbraw/zinc/30/60/56/532306056.db2.gz UQPJURYJIBYHBN-INIZCTEOSA-N 1 1 385.302 2.227 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)NCCCc2ccc(Br)cc2OC)C1 ZINC000181765441 532306058 /nfs/dbraw/zinc/30/60/58/532306058.db2.gz UQPJURYJIBYHBN-INIZCTEOSA-N 1 1 385.302 2.227 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cccc(I)c1)C1CC1 ZINC000151135388 532307377 /nfs/dbraw/zinc/30/73/77/532307377.db2.gz LIBQMSAYJNCXFF-UHFFFAOYSA-N 1 1 394.278 2.054 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000137584988 532290370 /nfs/dbraw/zinc/29/03/70/532290370.db2.gz MPTYFFBIPMRNGK-SECBINFHSA-N 1 1 393.656 2.411 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1cc(Br)cs1 ZINC000182384949 532312481 /nfs/dbraw/zinc/31/24/81/532312481.db2.gz QJCANCWPXLIWOC-UHFFFAOYSA-N 1 1 389.363 2.290 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182967139 532319978 /nfs/dbraw/zinc/31/99/78/532319978.db2.gz GMXAPFNDIRZMIE-MRXNPFEDSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182967139 532319981 /nfs/dbraw/zinc/31/99/81/532319981.db2.gz GMXAPFNDIRZMIE-MRXNPFEDSA-N 1 1 390.355 2.302 20 0 GEADMO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000185229264 532337397 /nfs/dbraw/zinc/33/73/97/532337397.db2.gz NKMRPSVHZJRQEK-UHFFFAOYSA-N 1 1 390.347 2.230 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(I)cc1C ZINC000185340867 532337552 /nfs/dbraw/zinc/33/75/52/532337552.db2.gz KKCNHWPEIRXGIM-UHFFFAOYSA-N 1 1 391.253 2.035 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)s2)C[C@@H]1C ZINC000185485007 532337838 /nfs/dbraw/zinc/33/78/38/532337838.db2.gz ZQSJQZOORUQRMC-WDEREUQCSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)s2)C[C@H]1C ZINC000185484987 532337870 /nfs/dbraw/zinc/33/78/70/532337870.db2.gz ZQSJQZOORUQRMC-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)cs1 ZINC000185592610 532338085 /nfs/dbraw/zinc/33/80/85/532338085.db2.gz FKHVXOBJSRGVML-GFCCVEGCSA-N 1 1 389.363 2.336 20 0 GEADMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)c(=O)n(C)c1=O ZINC000185647729 532338376 /nfs/dbraw/zinc/33/83/76/532338376.db2.gz FVTUKHUSGVBTOF-OAHLLOKOSA-N 1 1 396.260 2.323 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)c(=O)n(C)c1=O ZINC000185647729 532338377 /nfs/dbraw/zinc/33/83/77/532338377.db2.gz FVTUKHUSGVBTOF-OAHLLOKOSA-N 1 1 396.260 2.323 20 0 GEADMO C[NH+](C)CCN(C(=O)c1cc2cc(F)ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000185939109 532339170 /nfs/dbraw/zinc/33/91/70/532339170.db2.gz DTAOMMQDYWZUJU-CQSZACIVSA-N 1 1 384.498 2.231 20 0 GEADMO C[C@@H](C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)N1CC[NH+](C)CC1 ZINC000186207562 532340162 /nfs/dbraw/zinc/34/01/62/532340162.db2.gz PJLAPAHLSWHRNR-AWEZNQCLSA-N 1 1 385.339 2.278 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCSc2ccccc2Br)CC1 ZINC000186854026 532342229 /nfs/dbraw/zinc/34/22/29/532342229.db2.gz GYCSQHYINXZJLH-CYBMUJFWSA-N 1 1 387.343 2.456 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(Br)ccc1F ZINC000186928393 532342597 /nfs/dbraw/zinc/34/25/97/532342597.db2.gz JHAAHJHTWIHFCS-LBPRGKRZSA-N 1 1 387.293 2.434 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000187128378 532343214 /nfs/dbraw/zinc/34/32/14/532343214.db2.gz JFUQXDYDWNEQQQ-UHFFFAOYSA-N 1 1 398.276 2.389 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000187150989 532343351 /nfs/dbraw/zinc/34/33/51/532343351.db2.gz VGYMDXMXWDMXNF-UHFFFAOYSA-N 1 1 386.334 2.340 20 0 GEADMO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[N@@H+](CCO)CC1 ZINC000187147017 532343408 /nfs/dbraw/zinc/34/34/08/532343408.db2.gz CQFOXWNZVQYWQW-UHFFFAOYSA-N 1 1 386.823 2.048 20 0 GEADMO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[N@H+](CCO)CC1 ZINC000187147017 532343409 /nfs/dbraw/zinc/34/34/09/532343409.db2.gz CQFOXWNZVQYWQW-UHFFFAOYSA-N 1 1 386.823 2.048 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000184074997 532330768 /nfs/dbraw/zinc/33/07/68/532330768.db2.gz ZQJAMKRPOIMMRW-LBPRGKRZSA-N 1 1 394.317 2.081 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184330378 532332026 /nfs/dbraw/zinc/33/20/26/532332026.db2.gz AFTZFWGINJTPIM-LSDHHAIUSA-N 1 1 398.345 2.359 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCCN1CCC[N@H+](C)CC1 ZINC000187211064 532343549 /nfs/dbraw/zinc/34/35/49/532343549.db2.gz WNFHZWVJAAYQQR-UHFFFAOYSA-N 1 1 387.977 2.251 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCCN1CCC[N@@H+](C)CC1 ZINC000187211064 532343550 /nfs/dbraw/zinc/34/35/50/532343550.db2.gz WNFHZWVJAAYQQR-UHFFFAOYSA-N 1 1 387.977 2.251 20 0 GEADMO NC(=O)NC1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000184548937 532333526 /nfs/dbraw/zinc/33/35/26/532333526.db2.gz VKZYFAYKYOSFCN-UHFFFAOYSA-N 1 1 385.295 2.275 20 0 GEADMO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000187856916 532345883 /nfs/dbraw/zinc/34/58/83/532345883.db2.gz MUDGTEGFOZBFKZ-AWEZNQCLSA-N 1 1 375.922 2.132 20 0 GEADMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000187856916 532345884 /nfs/dbraw/zinc/34/58/84/532345884.db2.gz MUDGTEGFOZBFKZ-AWEZNQCLSA-N 1 1 375.922 2.132 20 0 GEADMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188140890 532346832 /nfs/dbraw/zinc/34/68/32/532346832.db2.gz KMWCOWWDBSUSHZ-AWEZNQCLSA-N 1 1 390.933 2.374 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188168300 532347046 /nfs/dbraw/zinc/34/70/46/532347046.db2.gz VLOYJELKJBYVMO-CQSZACIVSA-N 1 1 389.327 2.186 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CC[N@H+]1CC(C)(C)O ZINC000188633774 532348948 /nfs/dbraw/zinc/34/89/48/532348948.db2.gz PTFHKNUOBNWLND-LLVKDONJSA-N 1 1 399.285 2.095 20 0 GEADMO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1CCO ZINC000188698924 532349147 /nfs/dbraw/zinc/34/91/47/532349147.db2.gz SBFGNVGDDSUIJX-CQSZACIVSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC[N@H+]1CCO ZINC000188698924 532349148 /nfs/dbraw/zinc/34/91/48/532349148.db2.gz SBFGNVGDDSUIJX-CQSZACIVSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC[N@H+]1CC(C)(C)O ZINC000188726601 532349339 /nfs/dbraw/zinc/34/93/39/532349339.db2.gz LGFVZDVJRKLIFV-ITKZLYELSA-N 1 1 382.917 2.366 20 0 GEADMO C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@H+]1CC(C)(C)O ZINC000188890806 532349961 /nfs/dbraw/zinc/34/99/61/532349961.db2.gz PGRQRUSBEXGICM-JTQLQIEISA-N 1 1 380.436 2.149 20 0 GEADMO CC[N@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189122650 532350948 /nfs/dbraw/zinc/35/09/48/532350948.db2.gz FUSZNJSEXCRYHU-ZDUSSCGKSA-N 1 1 380.279 2.476 20 0 GEADMO CC[N@@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189122650 532350949 /nfs/dbraw/zinc/35/09/49/532350949.db2.gz FUSZNJSEXCRYHU-ZDUSSCGKSA-N 1 1 380.279 2.476 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000189209806 532351312 /nfs/dbraw/zinc/35/13/12/532351312.db2.gz FEBCCFSBOCPGRU-QMMMGPOBSA-N 1 1 377.080 2.288 20 0 GEADMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000189287540 532351713 /nfs/dbraw/zinc/35/17/13/532351713.db2.gz BSPSRGARMKILRZ-PWSUYJOCSA-N 1 1 391.693 2.053 20 0 GEADMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000189287540 532351714 /nfs/dbraw/zinc/35/17/14/532351714.db2.gz BSPSRGARMKILRZ-PWSUYJOCSA-N 1 1 391.693 2.053 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000189768009 532353630 /nfs/dbraw/zinc/35/36/30/532353630.db2.gz GRPTUFNODHFHOB-UHFFFAOYSA-N 1 1 387.311 2.028 20 0 GEADMO Cn1c(=O)cc(C[NH+]2CCC(c3ccccc3Br)CC2)n(C)c1=O ZINC000189805529 532353712 /nfs/dbraw/zinc/35/37/12/532353712.db2.gz QAJKIXMPUWAQME-UHFFFAOYSA-N 1 1 392.297 2.226 20 0 GEADMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc(I)cc1)C1CC1 ZINC000189920545 532354126 /nfs/dbraw/zinc/35/41/26/532354126.db2.gz WOJRYFQICHXEJP-UHFFFAOYSA-N 1 1 388.249 2.465 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000189946173 532354207 /nfs/dbraw/zinc/35/42/07/532354207.db2.gz UAMGBSJYAQFNPW-LBPRGKRZSA-N 1 1 398.301 2.163 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000190231388 532355274 /nfs/dbraw/zinc/35/52/74/532355274.db2.gz JSPNOXKYQFFLOZ-UHFFFAOYSA-N 1 1 386.539 2.482 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000190231388 532355275 /nfs/dbraw/zinc/35/52/75/532355275.db2.gz JSPNOXKYQFFLOZ-UHFFFAOYSA-N 1 1 386.539 2.482 20 0 GEADMO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000190482400 532356222 /nfs/dbraw/zinc/35/62/22/532356222.db2.gz BNOIMDYFJJPZEM-TUKIKUTGSA-N 1 1 380.432 2.405 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190871310 532358498 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C[C@H](CNC(=O)NCCCCCS(C)(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000187329481 532344044 /nfs/dbraw/zinc/34/40/44/532344044.db2.gz BNQXJLGDPIVOKR-CQSZACIVSA-N 1 1 387.571 2.009 20 0 GEADMO C[C@@H](C[S@](C)=O)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187412171 532344328 /nfs/dbraw/zinc/34/43/28/532344328.db2.gz WMPPRQQZYRCNQH-YVJJPDMGSA-N 1 1 379.448 2.374 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CC[N@H+]1CC(C)(C)O ZINC000187521733 532344673 /nfs/dbraw/zinc/34/46/73/532344673.db2.gz MOUWRHKMGFFISC-LLVKDONJSA-N 1 1 390.347 2.497 20 0 GEADMO C[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CC[N@@H+]1CCO ZINC000187710223 532345281 /nfs/dbraw/zinc/34/52/81/532345281.db2.gz XXVXXJYAEHGYPC-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO C[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CC[N@H+]1CCO ZINC000187710223 532345282 /nfs/dbraw/zinc/34/52/82/532345282.db2.gz XXVXXJYAEHGYPC-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO CCCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@@H]1CC[N@@H+](C)C1 ZINC000647568252 532376260 /nfs/dbraw/zinc/37/62/60/532376260.db2.gz JRUUSQZTIFNKQK-OAHLLOKOSA-N 1 1 396.329 2.350 20 0 GEADMO CCC[N@H+](CC(=O)NC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191619658 532361650 /nfs/dbraw/zinc/36/16/50/532361650.db2.gz FPUJRQCGKJFASR-UHFFFAOYSA-N 1 1 384.318 2.244 20 0 GEADMO CCC[N@@H+](CC(=O)NC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191619658 532361651 /nfs/dbraw/zinc/36/16/51/532361651.db2.gz FPUJRQCGKJFASR-UHFFFAOYSA-N 1 1 384.318 2.244 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515433011 532363907 /nfs/dbraw/zinc/36/39/07/532363907.db2.gz OUJDKAPOUNHHPG-CVEARBPZSA-N 1 1 394.313 2.117 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C2)C1 ZINC000647035308 532364337 /nfs/dbraw/zinc/36/43/37/532364337.db2.gz YRVOJRKIGIRSGT-SFHVURJKSA-N 1 1 390.281 2.458 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621736429 532365853 /nfs/dbraw/zinc/36/58/53/532365853.db2.gz BRLHASRGLLPZNP-IPYPFGDCSA-N 1 1 399.329 2.413 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621736429 532365855 /nfs/dbraw/zinc/36/58/55/532365855.db2.gz BRLHASRGLLPZNP-IPYPFGDCSA-N 1 1 399.329 2.413 20 0 GEADMO COC(=O)CN(CC[N@H+]1CCCOCC1)Cc1cccc(Br)c1 ZINC000463198670 532367734 /nfs/dbraw/zinc/36/77/34/532367734.db2.gz AYBRCVAQINDJQJ-UHFFFAOYSA-N 1 1 385.302 2.146 20 0 GEADMO CC[N@H+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000677173977 532367787 /nfs/dbraw/zinc/36/77/87/532367787.db2.gz MNSCAPQXTHVXTP-NSHDSACASA-N 1 1 388.331 2.135 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C[C@H]1C ZINC000677217806 532368284 /nfs/dbraw/zinc/36/82/84/532368284.db2.gz NZVBNCAURPMFQP-GFCCVEGCSA-N 1 1 398.301 2.257 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C[C@H]1C ZINC000677217806 532368287 /nfs/dbraw/zinc/36/82/87/532368287.db2.gz NZVBNCAURPMFQP-GFCCVEGCSA-N 1 1 398.301 2.257 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNc1ncc(Br)c(OC(C)(C)C)n1 ZINC000557565119 532368535 /nfs/dbraw/zinc/36/85/35/532368535.db2.gz UHSJWFQTCMIXLF-GFCCVEGCSA-N 1 1 387.322 2.939 20 0 GEADMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000463282110 532371267 /nfs/dbraw/zinc/37/12/67/532371267.db2.gz KBKUCWDFGFBRPU-MRXNPFEDSA-N 1 1 388.258 2.360 20 0 GEADMO COC(=O)[C@@H](CNc1cc(C)[nH+]c(C)n1)Oc1ccc(Br)cc1 ZINC000557743720 532371252 /nfs/dbraw/zinc/37/12/52/532371252.db2.gz XCOSYIIFAZKDFP-CQSZACIVSA-N 1 1 380.242 2.888 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372117664 532371648 /nfs/dbraw/zinc/37/16/48/532371648.db2.gz YCXLKZWSYOOZSM-OAHLLOKOSA-N 1 1 382.302 2.103 20 0 GEADMO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000463254241 532371742 /nfs/dbraw/zinc/37/17/42/532371742.db2.gz DSJXNDDLKAFSHC-HNNXBMFYSA-N 1 1 380.286 2.374 20 0 GEADMO COc1nccnc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000295002617 532395346 /nfs/dbraw/zinc/39/53/46/532395346.db2.gz IHNDUJZRNUAMJG-UHFFFAOYSA-N 1 1 393.285 2.386 20 0 GEADMO C[NH+]1CCN(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000677620581 532379061 /nfs/dbraw/zinc/37/90/61/532379061.db2.gz BMPRQGCSIHPFSZ-UHFFFAOYSA-N 1 1 378.929 2.370 20 0 GEADMO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C[C@H]1O ZINC000294765744 532381041 /nfs/dbraw/zinc/38/10/41/532381041.db2.gz JDRQDJPANCSMKR-YWPYICTPSA-N 1 1 385.302 2.165 20 0 GEADMO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C[C@H]1O ZINC000294765744 532381047 /nfs/dbraw/zinc/38/10/47/532381047.db2.gz JDRQDJPANCSMKR-YWPYICTPSA-N 1 1 385.302 2.165 20 0 GEADMO O=C(N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000647708163 532381578 /nfs/dbraw/zinc/38/15/78/532381578.db2.gz JNODYIOOGNJMOF-HZPDHXFCSA-N 1 1 379.298 2.148 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1OCC(F)F)c1ccsc1 ZINC000647894987 532381880 /nfs/dbraw/zinc/38/18/80/532381880.db2.gz CIMNKAAFSSXADG-GFCCVEGCSA-N 1 1 391.465 2.368 20 0 GEADMO NC(=O)C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073941 532383730 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CO[C@@H](CS(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000656737164 532629229 /nfs/dbraw/zinc/62/92/29/532629229.db2.gz GMAPXTGXTGYDOX-WBMJQRKESA-N 1 1 376.906 2.195 20 0 GEADMO CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000632600982 532629557 /nfs/dbraw/zinc/62/95/57/532629557.db2.gz UBRBLNIIALDKSV-HNNXBMFYSA-N 1 1 380.501 2.328 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000530806472 532630505 /nfs/dbraw/zinc/63/05/05/532630505.db2.gz SJZCYYIQWZVOER-GFCCVEGCSA-N 1 1 398.301 2.244 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCn2cc(Br)cn2)C1 ZINC000376831818 532631386 /nfs/dbraw/zinc/63/13/86/532631386.db2.gz BIFTXCDJQPNVAR-HNNXBMFYSA-N 1 1 378.274 2.132 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCn2cc(Br)cn2)C1 ZINC000376831818 532631393 /nfs/dbraw/zinc/63/13/93/532631393.db2.gz BIFTXCDJQPNVAR-HNNXBMFYSA-N 1 1 378.274 2.132 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(Cl)c(Cl)n1C ZINC000263649438 532631692 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CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000566995958 532634613 /nfs/dbraw/zinc/63/46/13/532634613.db2.gz FKWZDKOHHHBTFR-UHFFFAOYSA-N 1 1 382.357 2.296 20 0 GEADMO CN(CCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CC[NH+](C)C ZINC000566995958 532634621 /nfs/dbraw/zinc/63/46/21/532634621.db2.gz FKWZDKOHHHBTFR-UHFFFAOYSA-N 1 1 382.357 2.296 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)c1ccsc1 ZINC000656874456 532635333 /nfs/dbraw/zinc/63/53/33/532635333.db2.gz LZOOEJXSHWBJRX-OIISXLGYSA-N 1 1 390.571 2.102 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCC(OC)CC1)c1ccsc1 ZINC000656873846 532636160 /nfs/dbraw/zinc/63/61/60/532636160.db2.gz FOSGKUNMGKMYAA-MRXNPFEDSA-N 1 1 375.560 2.076 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CSc1ccccc1Cl ZINC000263710348 532636540 /nfs/dbraw/zinc/63/65/40/532636540.db2.gz QFJPAKCZKDHGFC-HNNXBMFYSA-N 1 1 383.945 2.491 20 0 GEADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000475177177 532640262 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CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526218 532665097 /nfs/dbraw/zinc/66/50/97/532665097.db2.gz HRVDONAWIAUKJI-ZWNOBZJWSA-N 1 1 386.315 2.460 20 0 GEADMO COc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c(F)c1 ZINC000481059567 532665332 /nfs/dbraw/zinc/66/53/32/532665332.db2.gz NQQATVCQXVUMAX-UHFFFAOYSA-N 1 1 388.530 2.474 20 0 GEADMO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000533705572 532666475 /nfs/dbraw/zinc/66/64/75/532666475.db2.gz RTDCNUCXUWRPOO-YOEHRIQHSA-N 1 1 386.945 2.096 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCN1CCCC1=O ZINC000532161429 532647030 /nfs/dbraw/zinc/64/70/30/532647030.db2.gz YCWPNLQQXLWLTE-UHFFFAOYSA-N 1 1 388.331 2.023 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000532161429 532647037 /nfs/dbraw/zinc/64/70/37/532647037.db2.gz YCWPNLQQXLWLTE-UHFFFAOYSA-N 1 1 388.331 2.023 20 0 GEADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000567285204 532648123 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COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550074622 532797455 /nfs/dbraw/zinc/79/74/55/532797455.db2.gz CSVDUDXARKXWHJ-CQSZACIVSA-N 1 1 384.274 2.003 20 0 GEADMO O=C(c1cnn2cc(Br)cnc12)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000328795646 532797916 /nfs/dbraw/zinc/79/79/16/532797916.db2.gz UFGXEAMBESPNOE-UHFFFAOYSA-N 1 1 392.301 2.440 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000550809887 532798339 /nfs/dbraw/zinc/79/83/39/532798339.db2.gz GILQTHSAQVBUTN-SNVBAGLBSA-N 1 1 379.766 2.388 20 0 GEADMO COc1ccc(Br)cc1CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000460992263 532798720 /nfs/dbraw/zinc/79/87/20/532798720.db2.gz IXDZEIRICFPPDO-CYBMUJFWSA-N 1 1 385.302 2.227 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000460996651 532799075 /nfs/dbraw/zinc/79/90/75/532799075.db2.gz PAVOVRVYGLKJGM-UONOGXRCSA-N 1 1 385.302 2.443 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287833694 532811120 /nfs/dbraw/zinc/81/11/20/532811120.db2.gz 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Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000329912323 532813406 /nfs/dbraw/zinc/81/34/06/532813406.db2.gz OHBJOHNWKRSHHZ-HOTGVXAUSA-N 1 1 389.562 2.121 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@H]2C1 ZINC000272368635 532814862 /nfs/dbraw/zinc/81/48/62/532814862.db2.gz UJSJMCOPXVAYFH-HZMBPMFUSA-N 1 1 384.249 2.079 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)[C@@H]2C1 ZINC000272368645 532814876 /nfs/dbraw/zinc/81/48/76/532814876.db2.gz UJSJMCOPXVAYFH-QMTHXVAHSA-N 1 1 384.249 2.079 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272374401 532814913 /nfs/dbraw/zinc/81/49/13/532814913.db2.gz VITZTTIMTGSWQL-DOMZBBRYSA-N 1 1 380.286 2.249 20 0 GEADMO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000413846185 532815178 /nfs/dbraw/zinc/81/51/78/532815178.db2.gz NNSOMMSKKHBYQS-UHFFFAOYSA-N 1 1 387.571 2.036 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000272407331 532815483 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CC(C)[N@@H+](C)CCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000272816168 532818408 /nfs/dbraw/zinc/81/84/08/532818408.db2.gz KDZYMBFJPHWPQX-UHFFFAOYSA-N 1 1 384.274 2.240 20 0 GEADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330430142 532818608 /nfs/dbraw/zinc/81/86/08/532818608.db2.gz IFBHYBRWWGRZGS-CABCVRRESA-N 1 1 380.432 2.095 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C ZINC000330517277 532820509 /nfs/dbraw/zinc/82/05/09/532820509.db2.gz XJNIAQUGJRSDON-AWEZNQCLSA-N 1 1 391.331 2.147 20 0 GEADMO CN(C(=O)COc1ccc(Br)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414046788 532818171 /nfs/dbraw/zinc/81/81/71/532818171.db2.gz AIWIDXAPDTYDHM-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000288225192 532821375 /nfs/dbraw/zinc/82/13/75/532821375.db2.gz ZWLMORUVORJUHK-LLVKDONJSA-N 1 1 377.819 2.149 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)s2)C[C@H]1C ZINC000330550348 532821476 /nfs/dbraw/zinc/82/14/76/532821476.db2.gz DQBUFDIHWPAWFT-MNOVXSKESA-N 1 1 388.331 2.182 20 0 GEADMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414369945 532822774 /nfs/dbraw/zinc/82/27/74/532822774.db2.gz VNCQRSOBXNXMKV-ZDUSSCGKSA-N 1 1 387.548 2.494 20 0 GEADMO COC[C@H](O)CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000273337223 532822886 /nfs/dbraw/zinc/82/28/86/532822886.db2.gz ZPZALDXQDMLCRP-MRXNPFEDSA-N 1 1 390.311 2.264 20 0 GEADMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000273415956 532823310 /nfs/dbraw/zinc/82/33/10/532823310.db2.gz QYBLRUVWVQMKNZ-INIZCTEOSA-N 1 1 381.519 2.053 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@H]1C ZINC000330696621 532825633 /nfs/dbraw/zinc/82/56/33/532825633.db2.gz UUOYSFFEAARSMM-VXGBXAGGSA-N 1 1 377.432 2.263 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@H]1C ZINC000330696621 532825636 /nfs/dbraw/zinc/82/56/36/532825636.db2.gz UUOYSFFEAARSMM-VXGBXAGGSA-N 1 1 377.432 2.263 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sc(S(N)(=O)=O)cc2C)C1 ZINC000330699062 532825882 /nfs/dbraw/zinc/82/58/82/532825882.db2.gz MLJIHOOSBHGSKL-CYBMUJFWSA-N 1 1 387.571 2.334 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@]12CCCO2 ZINC000273535161 532826034 /nfs/dbraw/zinc/82/60/34/532826034.db2.gz CWCHQGCOJWOVOM-QSJFSLAZSA-N 1 1 383.286 2.292 20 0 GEADMO CC[N@H+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000288408323 532826527 /nfs/dbraw/zinc/82/65/27/532826527.db2.gz LNKNNUSTUXTTDD-LLVKDONJSA-N 1 1 388.331 2.135 20 0 GEADMO CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000273559638 532826603 /nfs/dbraw/zinc/82/66/03/532826603.db2.gz XBBYCUWMJJHYJZ-HOTGVXAUSA-N 1 1 382.551 2.132 20 0 GEADMO CS[C@@H]1CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000273566676 532826789 /nfs/dbraw/zinc/82/67/89/532826789.db2.gz YNDACNJNSHRQBJ-HZPDHXFCSA-N 1 1 382.551 2.050 20 0 GEADMO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(Br)c1O ZINC000273581311 532827070 /nfs/dbraw/zinc/82/70/70/532827070.db2.gz AVAPKIRGIOWCCB-UHFFFAOYSA-N 1 1 387.318 2.488 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000330892219 532829321 /nfs/dbraw/zinc/82/93/21/532829321.db2.gz KPVUHPHHSBIPDW-LRDDRELGSA-N 1 1 388.917 2.477 20 0 GEADMO CCS(=O)(=O)CCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414543650 532831629 /nfs/dbraw/zinc/83/16/29/532831629.db2.gz OHZBZPWYSXKWMU-UHFFFAOYSA-N 1 1 377.297 2.489 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414517376 532831826 /nfs/dbraw/zinc/83/18/26/532831826.db2.gz RDFPFCIVMOFPGA-UHFFFAOYSA-N 1 1 381.947 2.437 20 0 GEADMO CCS(=O)(=O)CCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414548949 532831869 /nfs/dbraw/zinc/83/18/69/532831869.db2.gz YVBQSJSLFLLYRG-UHFFFAOYSA-N 1 1 377.297 2.489 20 0 GEADMO C[NH+]1CCC(CNCc2cc(O)ccc2Br)(N2CCOCC2)CC1 ZINC000414477997 532830873 /nfs/dbraw/zinc/83/08/73/532830873.db2.gz CTFVXPOXJXCTPT-UHFFFAOYSA-N 1 1 398.345 2.041 20 0 GEADMO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331193981 532835904 /nfs/dbraw/zinc/83/59/04/532835904.db2.gz WLJCLXFVSWGLKO-YOEHRIQHSA-N 1 1 399.329 2.378 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000288695575 532835151 /nfs/dbraw/zinc/83/51/51/532835151.db2.gz RHMDLLCHSMNXRX-VXGBXAGGSA-N 1 1 388.281 2.357 20 0 GEADMO COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1OC ZINC000414991464 532836953 /nfs/dbraw/zinc/83/69/53/532836953.db2.gz SDRUTCMZNFYFIS-ZDUSSCGKSA-N 1 1 381.826 2.283 20 0 GEADMO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CNCCO1 ZINC000415094481 532838013 /nfs/dbraw/zinc/83/80/13/532838013.db2.gz KAIQLZHLRLKZFF-NSHDSACASA-N 1 1 394.107 2.298 20 0 GEADMO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000273965798 532838286 /nfs/dbraw/zinc/83/82/86/532838286.db2.gz OLAYIWFHMUCPTG-UHFFFAOYSA-N 1 1 389.315 2.306 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C2CCC(O)CC2)CC1 ZINC000331388833 532838999 /nfs/dbraw/zinc/83/89/99/532838999.db2.gz 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COc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)sc1Br ZINC000371162308 532947097 /nfs/dbraw/zinc/94/70/97/532947097.db2.gz AMXKURNWAZDVBR-WDEREUQCSA-N 1 1 389.315 2.190 20 0 GEADMO COc1cc2[nH+]c(N3CCC(C(=O)N4CCCC4)CC3)nc(N)c2cc1OC ZINC000084581776 136174974 /nfs/dbraw/zinc/17/49/74/136174974.db2.gz ZVBXQRCYSMONRC-UHFFFAOYSA-N 1 1 385.468 2.068 20 0 GEADMO C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736804778 598833315 /nfs/dbraw/zinc/83/33/15/598833315.db2.gz VQRSGUOYAXPJMP-UHFFFAOYSA-N 1 1 384.871 2.311 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000737523188 598851813 /nfs/dbraw/zinc/85/18/13/598851813.db2.gz HKJNHROECDMRJS-SJORKVTESA-N 1 1 380.456 2.035 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000738388002 598873678 /nfs/dbraw/zinc/87/36/78/598873678.db2.gz RESZNXKJXAFUNV-IBGZPJMESA-N 1 1 397.454 2.453 20 0 GEADMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736381602 598897073 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Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000822103510 607281107 /nfs/dbraw/zinc/28/11/07/607281107.db2.gz HIHJIMVDJTYWGH-UHFFFAOYSA-N 1 1 389.423 2.386 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000737526124 599252022 /nfs/dbraw/zinc/25/20/22/599252022.db2.gz WLMLLNUIPZZFIX-UHFFFAOYSA-N 1 1 394.483 2.284 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCN(c4cnccn4)CC3)c2c1 ZINC000737248014 599267595 /nfs/dbraw/zinc/26/75/95/599267595.db2.gz CVRJQXSUOIWRFU-UHFFFAOYSA-N 1 1 387.451 2.148 20 0 GEADMO CC(C)CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735811344 598232204 /nfs/dbraw/zinc/23/22/04/598232204.db2.gz HSDKIZKYMVAERO-HXUWFJFHSA-N 1 1 397.483 2.102 20 0 GEADMO CC(C)CC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735811344 598232206 /nfs/dbraw/zinc/23/22/06/598232206.db2.gz HSDKIZKYMVAERO-HXUWFJFHSA-N 1 1 397.483 2.102 20 0 GEADMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736270338 598250206 /nfs/dbraw/zinc/25/02/06/598250206.db2.gz JWWMFPANKWZNGE-DNVCBOLYSA-N 1 1 398.511 2.405 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000738385991 598251727 /nfs/dbraw/zinc/25/17/27/598251727.db2.gz KMECFHWCBNJRHM-HNNXBMFYSA-N 1 1 390.447 2.146 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000738385991 598251729 /nfs/dbraw/zinc/25/17/29/598251729.db2.gz KMECFHWCBNJRHM-HNNXBMFYSA-N 1 1 390.447 2.146 20 0 GEADMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420737 598255241 /nfs/dbraw/zinc/25/52/41/598255241.db2.gz HBOSUMOOINLIIP-QZTJIDSGSA-N 1 1 379.464 2.404 20 0 GEADMO COc1ccccc1OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737150999 598256429 /nfs/dbraw/zinc/25/64/29/598256429.db2.gz DIFFAMIMRGHRBX-UHFFFAOYSA-N 1 1 398.442 2.215 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735636001 598257506 /nfs/dbraw/zinc/25/75/06/598257506.db2.gz MBYWTJGSLJNGEX-AWEZNQCLSA-N 1 1 388.472 2.092 20 0 GEADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735685458 598299922 /nfs/dbraw/zinc/29/99/22/598299922.db2.gz WAQWEBQADXZIMP-INIZCTEOSA-N 1 1 386.500 2.120 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000736132199 598313129 /nfs/dbraw/zinc/31/31/29/598313129.db2.gz AKAQUPQJYIBKDD-CHWSQXEVSA-N 1 1 380.427 2.462 20 0 GEADMO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736202768 598348629 /nfs/dbraw/zinc/34/86/29/598348629.db2.gz JSGQFELHUUUTEA-CYBMUJFWSA-N 1 1 380.456 2.006 20 0 GEADMO c1nn(-c2ccccc2)nc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000738424990 598363187 /nfs/dbraw/zinc/36/31/87/598363187.db2.gz JELVNEUKFXJWKW-UHFFFAOYSA-N 1 1 392.492 2.470 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736818509 598366822 /nfs/dbraw/zinc/36/68/22/598366822.db2.gz RSZRUPJXDILNHJ-QGZVFWFLSA-N 1 1 394.483 2.224 20 0 GEADMO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737258088 598367946 /nfs/dbraw/zinc/36/79/46/598367946.db2.gz YFZJZDIMBYXJHJ-GOSISDBHSA-N 1 1 394.483 2.173 20 0 GEADMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737258088 598367948 /nfs/dbraw/zinc/36/79/48/598367948.db2.gz YFZJZDIMBYXJHJ-GOSISDBHSA-N 1 1 394.483 2.173 20 0 GEADMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000737443952 598370355 /nfs/dbraw/zinc/37/03/55/598370355.db2.gz KDRIUXAJGDVNDR-OAHLLOKOSA-N 1 1 380.456 2.037 20 0 GEADMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000735558328 598373487 /nfs/dbraw/zinc/37/34/87/598373487.db2.gz AAWOSPLONOEPDT-KDOFPFPSSA-N 1 1 377.452 2.380 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000735558326 598373982 /nfs/dbraw/zinc/37/39/82/598373982.db2.gz AAWOSPLONOEPDT-KBXCAEBGSA-N 1 1 377.452 2.380 20 0 GEADMO O=C1[C@H]([N@@H+]2CCCc3sccc3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290146 598418992 /nfs/dbraw/zinc/41/89/92/598418992.db2.gz NGXLBSCGXJFBIV-MRXNPFEDSA-N 1 1 380.477 2.482 20 0 GEADMO O=C1[C@H]([N@H+]2CCCc3sccc3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290146 598418994 /nfs/dbraw/zinc/41/89/94/598418994.db2.gz NGXLBSCGXJFBIV-MRXNPFEDSA-N 1 1 380.477 2.482 20 0 GEADMO CCCCC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736441101 598431047 /nfs/dbraw/zinc/43/10/47/598431047.db2.gz NJLWGQSOKYCIPO-KRWDZBQOSA-N 1 1 399.543 2.069 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037501 598478793 /nfs/dbraw/zinc/47/87/93/598478793.db2.gz WHXZXNDHYWTCII-SJLPKXTDSA-N 1 1 381.484 2.168 20 0 GEADMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736488293 598506469 /nfs/dbraw/zinc/50/64/69/598506469.db2.gz NPDNZHQBWVGGHB-AWEZNQCLSA-N 1 1 376.461 2.296 20 0 GEADMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736488293 598506471 /nfs/dbraw/zinc/50/64/71/598506471.db2.gz NPDNZHQBWVGGHB-AWEZNQCLSA-N 1 1 376.461 2.296 20 0 GEADMO CN(C)CC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736769346 598572771 /nfs/dbraw/zinc/57/27/71/598572771.db2.gz PHXOJKYHGFDPQF-UHFFFAOYSA-N 1 1 383.422 2.323 20 0 GEADMO CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619653 598596054 /nfs/dbraw/zinc/59/60/54/598596054.db2.gz VRXTWZDKKQNKPM-GOSISDBHSA-N 1 1 397.527 2.168 20 0 GEADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000736705087 598613599 /nfs/dbraw/zinc/61/35/99/598613599.db2.gz FHWKAUYJKQMHEV-CABCVRRESA-N 1 1 395.467 2.257 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000737545953 598613865 /nfs/dbraw/zinc/61/38/65/598613865.db2.gz AHIWXMZBOKOPFI-HUUCEWRRSA-N 1 1 395.467 2.258 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737545947 598614318 /nfs/dbraw/zinc/61/43/18/598614318.db2.gz AHIWXMZBOKOPFI-CABCVRRESA-N 1 1 395.467 2.258 20 0 GEADMO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000738161573 598632779 /nfs/dbraw/zinc/63/27/79/598632779.db2.gz FWDCNNXYTPFPQY-UHFFFAOYSA-N 1 1 381.415 2.356 20 0 GEADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-c4nn[nH]n4)cn3)cc2)C[C@H](C)O1 ZINC000736286084 598659906 /nfs/dbraw/zinc/65/99/06/598659906.db2.gz LWQKPASLFVVUKJ-KBPBESRZSA-N 1 1 393.451 2.123 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736264199 598682789 /nfs/dbraw/zinc/68/27/89/598682789.db2.gz CHMSBPWWDRVCQD-INIZCTEOSA-N 1 1 386.500 2.264 20 0 GEADMO CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)O1 ZINC000736408919 598706765 /nfs/dbraw/zinc/70/67/65/598706765.db2.gz LBOQAFSRBAEZLH-NEPJUHHUSA-N 1 1 390.513 2.245 20 0 GEADMO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738301540 598707114 /nfs/dbraw/zinc/70/71/14/598707114.db2.gz CALRMWKVTFKKQV-MRXNPFEDSA-N 1 1 379.468 2.096 20 0 GEADMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737489395 598708066 /nfs/dbraw/zinc/70/80/66/598708066.db2.gz XILWBCHIGCJXAK-MRXNPFEDSA-N 1 1 397.508 2.257 20 0 GEADMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737489395 598708067 /nfs/dbraw/zinc/70/80/67/598708067.db2.gz XILWBCHIGCJXAK-MRXNPFEDSA-N 1 1 397.508 2.257 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000735873883 598725635 /nfs/dbraw/zinc/72/56/35/598725635.db2.gz BEEIHEKCBTWDEK-LLVKDONJSA-N 1 1 395.414 2.320 20 0 GEADMO CC[NH+](CC)CC1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736535662 598763584 /nfs/dbraw/zinc/76/35/84/598763584.db2.gz ZKJYHVNQOCQMNY-IBGZPJMESA-N 1 1 397.527 2.026 20 0 GEADMO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736225876 598766289 /nfs/dbraw/zinc/76/62/89/598766289.db2.gz SWLRROCDJGTWSH-HZPDHXFCSA-N 1 1 398.511 2.214 20 0 GEADMO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)NC(C1CC1)C1CC1 ZINC000737876605 598767132 /nfs/dbraw/zinc/76/71/32/598767132.db2.gz RMEBKWKUQSVNLM-UHFFFAOYSA-N 1 1 396.495 2.015 20 0 GEADMO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000738302872 598777312 /nfs/dbraw/zinc/77/73/12/598777312.db2.gz OFILDYPBLCWTFG-MRXNPFEDSA-N 1 1 379.468 2.096 20 0 GEADMO CC1(C)C[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736212386 598779497 /nfs/dbraw/zinc/77/94/97/598779497.db2.gz XFJHUAISPONRHH-KRWDZBQOSA-N 1 1 383.500 2.130 20 0 GEADMO Cc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270741 598797625 /nfs/dbraw/zinc/79/76/25/598797625.db2.gz PHPVIFSVUBQLHV-AWEZNQCLSA-N 1 1 376.468 2.364 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821266506 607367518 /nfs/dbraw/zinc/36/75/18/607367518.db2.gz FEUJFWVQAZGWFW-AWEZNQCLSA-N 1 1 389.529 2.425 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1 ZINC000736321274 598820226 /nfs/dbraw/zinc/82/02/26/598820226.db2.gz AKATYVPISQLSNH-NSHDSACASA-N 1 1 391.545 2.126 20 0 GEADMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736978785 598820869 /nfs/dbraw/zinc/82/08/69/598820869.db2.gz RPRWRPXLBJAXNL-RYUDHWBXSA-N 1 1 390.513 2.102 20 0 GEADMO Cc1nc(CN2CCC[C@H]([N@H+](C)[C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477171 599318016 /nfs/dbraw/zinc/31/80/16/599318016.db2.gz KQFUHVRQSJZIEJ-DYVFJYSZSA-N 1 1 382.472 2.216 20 0 GEADMO CN1CCC[C@@H](C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736856594 599354160 /nfs/dbraw/zinc/35/41/60/599354160.db2.gz KVHMPELBUQRFSN-CYBMUJFWSA-N 1 1 391.907 2.122 20 0 GEADMO CN1CCC[C@@H](C[N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736856594 599354162 /nfs/dbraw/zinc/35/41/62/599354162.db2.gz KVHMPELBUQRFSN-CYBMUJFWSA-N 1 1 391.907 2.122 20 0 GEADMO CO[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821677490 599383144 /nfs/dbraw/zinc/38/31/44/599383144.db2.gz YCQLGOBBYRWLNL-JKSUJKDBSA-N 1 1 386.843 2.024 20 0 GEADMO C[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@H+]1CCCC[C@@H]1C ZINC000820703465 599409145 /nfs/dbraw/zinc/40/91/45/599409145.db2.gz FTXBIPOJXQYZPX-STQMWFEESA-N 1 1 375.452 2.068 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCCOC[C@@H]3CCCO3)c2c1 ZINC000822195550 599467192 /nfs/dbraw/zinc/46/71/92/599467192.db2.gz VXYYIUXJSFQXHP-HNNXBMFYSA-N 1 1 382.468 2.451 20 0 GEADMO Cc1cccc2c(NCCNC(=O)c3cccs3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334782 599483645 /nfs/dbraw/zinc/48/36/45/599483645.db2.gz GYUMCWBZNZARQK-UHFFFAOYSA-N 1 1 379.449 2.049 20 0 GEADMO Cc1cccc(C)c1OC[C@H](O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000822299679 599493813 /nfs/dbraw/zinc/49/38/13/599493813.db2.gz QVONRBVFZNGOMM-OAHLLOKOSA-N 1 1 390.447 2.305 20 0 GEADMO O=C(N[C@@H]1CC=CCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738024015 599507248 /nfs/dbraw/zinc/50/72/48/599507248.db2.gz XBQUFVVWTVDITA-GOSISDBHSA-N 1 1 381.484 2.193 20 0 GEADMO CC1(C)C[N@@H+](CCNc2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000820601112 599513494 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650335361 /nfs/dbraw/zinc/33/53/61/650335361.db2.gz WDDXJUBLJVMAFF-BETUJISGSA-N 1 1 384.318 2.042 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000456254751 650335364 /nfs/dbraw/zinc/33/53/64/650335364.db2.gz WDDXJUBLJVMAFF-BETUJISGSA-N 1 1 384.318 2.042 20 0 GEADMO CCCS(=O)(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c(F)c1 ZINC000456271795 650335641 /nfs/dbraw/zinc/33/56/41/650335641.db2.gz SYHZUMCOSZOAMP-ZDUSSCGKSA-N 1 1 389.518 2.353 20 0 GEADMO CCCS(=O)(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c(F)c1 ZINC000456271795 650335643 /nfs/dbraw/zinc/33/56/43/650335643.db2.gz SYHZUMCOSZOAMP-ZDUSSCGKSA-N 1 1 389.518 2.353 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314738 650336886 /nfs/dbraw/zinc/33/68/86/650336886.db2.gz WCTBCDKRDORHAI-JSGCOSHPSA-N 1 1 382.302 2.422 20 0 GEADMO CC(=O)CCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456592893 650350473 /nfs/dbraw/zinc/35/04/73/650350473.db2.gz PZHDMOMNPPMLES-UHFFFAOYSA-N 1 1 383.290 2.294 20 0 GEADMO COC[C@H](C)[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456594307 650350859 /nfs/dbraw/zinc/35/08/59/650350859.db2.gz RDSGOZOYJFIAGA-QWHCGFSZSA-N 1 1 399.333 2.453 20 0 GEADMO CCC[C@H](OC)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456597390 650351119 /nfs/dbraw/zinc/35/11/19/650351119.db2.gz UNCQWWFBGBNCAT-AWEZNQCLSA-N 1 1 385.306 2.350 20 0 GEADMO CCN1CC[NH+](CC(C)(C)NC(=O)COc2ccccc2Br)CC1 ZINC000456877835 650365133 /nfs/dbraw/zinc/36/51/33/650365133.db2.gz CSXJYZIZQDKMNP-UHFFFAOYSA-N 1 1 398.345 2.360 20 0 GEADMO O=C(c1cncc(I)c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457031508 650371866 /nfs/dbraw/zinc/37/18/66/650371866.db2.gz SOCMHWZORYPLEM-HNNXBMFYSA-N 1 1 393.228 2.473 20 0 GEADMO Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000500539499 650380235 /nfs/dbraw/zinc/38/02/35/650380235.db2.gz WXUUIQRGWWVAIL-KRWDZBQOSA-N 1 1 385.961 2.439 20 0 GEADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000457863565 650387280 /nfs/dbraw/zinc/38/72/80/650387280.db2.gz DPKPQBBUJIUNOO-CYBMUJFWSA-N 1 1 384.249 2.061 20 0 GEADMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@H+]1C ZINC000500937153 650385078 /nfs/dbraw/zinc/38/50/78/650385078.db2.gz ZALLYQIRPJWNHX-RYUDHWBXSA-N 1 1 390.347 2.276 20 0 GEADMO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457963782 650391060 /nfs/dbraw/zinc/39/10/60/650391060.db2.gz RYHFCZIXSVIYEV-HNNXBMFYSA-N 1 1 388.281 2.234 20 0 GEADMO O=C(NCCc1ccccc1Br)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458111171 650395568 /nfs/dbraw/zinc/39/55/68/650395568.db2.gz PBLOVQIVCCFIKD-HNNXBMFYSA-N 1 1 384.318 2.138 20 0 GEADMO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458118926 650395947 /nfs/dbraw/zinc/39/59/47/650395947.db2.gz VSXVEYZSCIGMBL-ZDUSSCGKSA-N 1 1 388.281 2.234 20 0 GEADMO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000458115410 650395974 /nfs/dbraw/zinc/39/59/74/650395974.db2.gz RXRQJTOGOSHBPA-GUYCJALGSA-N 1 1 399.304 2.482 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458133811 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CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000458549143 650405042 /nfs/dbraw/zinc/40/50/42/650405042.db2.gz STQMBDLSWPDBJU-GOEBONIOSA-N 1 1 398.345 2.478 20 0 GEADMO O=S(=O)([C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000502334481 650405169 /nfs/dbraw/zinc/40/51/69/650405169.db2.gz SQMTZRNPIAOZHI-AWEZNQCLSA-N 1 1 390.908 2.148 20 0 GEADMO O=S(=O)([C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000502334481 650405171 /nfs/dbraw/zinc/40/51/71/650405171.db2.gz SQMTZRNPIAOZHI-AWEZNQCLSA-N 1 1 390.908 2.148 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000458723102 650409444 /nfs/dbraw/zinc/40/94/44/650409444.db2.gz AXYLEKPDGJGKJB-AWEZNQCLSA-N 1 1 386.338 2.457 20 0 GEADMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728234 650409541 /nfs/dbraw/zinc/40/95/41/650409541.db2.gz GAJVCVIUCCUGRN-OCCSQVGLSA-N 1 1 385.306 2.051 20 0 GEADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)[C@H]2C1 ZINC000502499014 650407344 /nfs/dbraw/zinc/40/73/44/650407344.db2.gz PQVWHLZWNDSDHJ-UAGQMJEPSA-N 1 1 395.297 2.074 20 0 GEADMO CN(CC[NH+]1CCCC1)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458909084 650413958 /nfs/dbraw/zinc/41/39/58/650413958.db2.gz YBTOGOUBCZCYGS-UHFFFAOYSA-N 1 1 387.933 2.241 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000458964969 650416004 /nfs/dbraw/zinc/41/60/04/650416004.db2.gz FYSGIWWBIHXPQR-HSWBROFVSA-N 1 1 382.302 2.170 20 0 GEADMO O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCc2ccc(Br)cc21 ZINC000503278024 650417330 /nfs/dbraw/zinc/41/73/30/650417330.db2.gz YWGJOMXFZSLMHL-UHFFFAOYSA-N 1 1 392.297 2.035 20 0 GEADMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)c1ccc(Br)cc1 ZINC000503524085 650419335 /nfs/dbraw/zinc/41/93/35/650419335.db2.gz UIXREEXAYANUGR-SWLSCSKDSA-N 1 1 382.302 2.356 20 0 GEADMO O=C(NCCc1cccc(Br)c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000459156109 650419843 /nfs/dbraw/zinc/41/98/43/650419843.db2.gz WJQCVKUGFNQDDY-INIZCTEOSA-N 1 1 384.318 2.138 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3c(Br)cccc3C2)CC1 ZINC000503572185 650420338 /nfs/dbraw/zinc/42/03/38/650420338.db2.gz FHVLJUIOUJPAER-CQSZACIVSA-N 1 1 380.330 2.360 20 0 GEADMO Cc1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000459178113 650420617 /nfs/dbraw/zinc/42/06/17/650420617.db2.gz MTABVNXPYZNBER-OKILXGFUSA-N 1 1 384.318 2.354 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H]1[NH+](C)C ZINC000459211208 650421350 /nfs/dbraw/zinc/42/13/50/650421350.db2.gz LRUSJSLXKSHEOK-ZWNOBZJWSA-N 1 1 380.290 2.417 20 0 GEADMO CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000503999407 650425581 /nfs/dbraw/zinc/42/55/81/650425581.db2.gz JIWMRKLUHPJSLJ-UHFFFAOYSA-N 1 1 390.571 2.220 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc(Br)cc1S(N)(=O)=O ZINC000504041725 650426060 /nfs/dbraw/zinc/42/60/60/650426060.db2.gz KJOIJQWHUKZRNI-PHIMTYICSA-N 1 1 391.335 2.166 20 0 GEADMO CN(C)CC(C)(C)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000459551541 650428468 /nfs/dbraw/zinc/42/84/68/650428468.db2.gz SANSOQACMBVCCR-UHFFFAOYSA-N 1 1 375.254 2.160 20 0 GEADMO O[C@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)Cn1ccnn1 ZINC000459702705 650430024 /nfs/dbraw/zinc/43/00/24/650430024.db2.gz RMKQMDNCBANAED-CQSZACIVSA-N 1 1 379.873 2.118 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000460256142 650440871 /nfs/dbraw/zinc/44/08/71/650440871.db2.gz HJYYTTRXVLORKO-MRXNPFEDSA-N 1 1 376.284 2.128 20 0 GEADMO CC[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272570 650441253 /nfs/dbraw/zinc/44/12/53/650441253.db2.gz ZDXYQKKIHYNFRH-RDTXWAMCSA-N 1 1 398.345 2.384 20 0 GEADMO CC1=CC[N@@H+](CCNC(=O)c2ccc(I)c(O)c2)CC1 ZINC000506651922 650448330 /nfs/dbraw/zinc/44/83/30/650448330.db2.gz CRIRWXNUWGSRRF-UHFFFAOYSA-N 1 1 386.233 2.379 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C1 ZINC000506013689 650442726 /nfs/dbraw/zinc/44/27/26/650442726.db2.gz CFDONPLNHJIZJG-WDEREUQCSA-N 1 1 391.256 2.183 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C1 ZINC000506013689 650442729 /nfs/dbraw/zinc/44/27/29/650442729.db2.gz CFDONPLNHJIZJG-WDEREUQCSA-N 1 1 391.256 2.183 20 0 GEADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000506045713 650442996 /nfs/dbraw/zinc/44/29/96/650442996.db2.gz JTYMUMSTUYJKER-LLVKDONJSA-N 1 1 376.404 2.286 20 0 GEADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000506045713 650442997 /nfs/dbraw/zinc/44/29/97/650442997.db2.gz JTYMUMSTUYJKER-LLVKDONJSA-N 1 1 376.404 2.286 20 0 GEADMO C[C@@H]1C[N@H+](CCCNC(=O)c2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000506141494 650443629 /nfs/dbraw/zinc/44/36/29/650443629.db2.gz XSNZIUZBOAAYOV-BETUJISGSA-N 1 1 395.301 2.326 20 0 GEADMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnccn1 ZINC000507221578 650456382 /nfs/dbraw/zinc/45/63/82/650456382.db2.gz LTLOUXXYMHRGJK-SNVBAGLBSA-N 1 1 375.281 2.413 20 0 GEADMO C[N@H+](CC(=O)NCc1nc2cc(Br)cnc2[nH]1)Cc1ccccc1 ZINC000461639194 650457881 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C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000525979109 650662124 /nfs/dbraw/zinc/66/21/24/650662124.db2.gz ZFXCKLPUZAMVSM-SECBINFHSA-N 1 1 390.228 2.124 20 0 GEADMO CN(C)C(=O)CSCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000482366511 650664692 /nfs/dbraw/zinc/66/46/92/650664692.db2.gz OWRKZCVCNPUFFS-INIZCTEOSA-N 1 1 383.945 2.415 20 0 GEADMO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000482846023 650669866 /nfs/dbraw/zinc/66/98/66/650669866.db2.gz SNYDHDOAMPCSJH-OAHLLOKOSA-N 1 1 378.274 2.082 20 0 GEADMO CCn1cc(C[N@H+](CCO)C[C@@H](O)COc2cc(Cl)ccc2Cl)cn1 ZINC000482886403 650670285 /nfs/dbraw/zinc/67/02/85/650670285.db2.gz GPVDUAXNOMXFBM-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1cc(C[N@@H+](CCO)C[C@@H](O)COc2cc(Cl)ccc2Cl)cn1 ZINC000482886403 650670287 /nfs/dbraw/zinc/67/02/87/650670287.db2.gz GPVDUAXNOMXFBM-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@](C)(C(N)=O)C3)C2=O)ccc1Br ZINC000483278232 650675832 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COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000528339151 650689046 /nfs/dbraw/zinc/68/90/46/650689046.db2.gz MXLRUWKIRSBMQL-LLVKDONJSA-N 1 1 382.404 2.214 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000484973746 650691632 /nfs/dbraw/zinc/69/16/32/650691632.db2.gz ZQQLVDXHUVWQFV-VBNZEHGJSA-N 1 1 394.313 2.310 20 0 GEADMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000528540361 650695624 /nfs/dbraw/zinc/69/56/24/650695624.db2.gz ZLZZFJTXIUNCPH-UHFFFAOYSA-N 1 1 390.908 2.496 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)[C@@H]2C[C@@]2(C)Br)c2cccs2)CC1 ZINC000528554638 650696639 /nfs/dbraw/zinc/69/66/39/650696639.db2.gz XCBOLWDRGZKOHP-WOSRLPQWSA-N 1 1 386.359 2.326 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000485671794 650698450 /nfs/dbraw/zinc/69/84/50/650698450.db2.gz KIHMSEJMOLNWIR-GFCCVEGCSA-N 1 1 378.416 2.401 20 0 GEADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@]1(C)Br ZINC000528647636 650697289 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C[C@H]1CCC[N@@H+](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000486269800 650710295 /nfs/dbraw/zinc/71/02/95/650710295.db2.gz NYYVPAXPARSCKF-ZDUSSCGKSA-N 1 1 397.317 2.419 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000486368392 650712399 /nfs/dbraw/zinc/71/23/99/650712399.db2.gz HXTYDOPHWBMEEN-UHFFFAOYSA-N 1 1 382.302 2.496 20 0 GEADMO O=C(NC1(c2cccc(Br)c2)CCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000486654536 650717951 /nfs/dbraw/zinc/71/79/51/650717951.db2.gz RQJNLLIQFRJMOB-INIZCTEOSA-N 1 1 378.314 2.334 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@H]2C1 ZINC000486682233 650718941 /nfs/dbraw/zinc/71/89/41/650718941.db2.gz HSWQWOLLQSPBQF-RNCFNFMXSA-N 1 1 395.269 2.442 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)[C@H]2C1 ZINC000486682233 650718945 /nfs/dbraw/zinc/71/89/45/650718945.db2.gz HSWQWOLLQSPBQF-RNCFNFMXSA-N 1 1 395.269 2.442 20 0 GEADMO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[NH+]2CCC1CC2 ZINC000530345803 650722489 /nfs/dbraw/zinc/72/24/89/650722489.db2.gz DHYGZUIHOWSACM-UHFFFAOYSA-N 1 1 376.254 2.211 20 0 GEADMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000486807759 650722559 /nfs/dbraw/zinc/72/25/59/650722559.db2.gz AGLZKKLZKXNRIC-IRXDYDNUSA-N 1 1 375.579 2.063 20 0 GEADMO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000487282637 650732112 /nfs/dbraw/zinc/73/21/12/650732112.db2.gz WMUQUFZWPJWWCJ-UHFFFAOYSA-N 1 1 381.523 2.235 20 0 GEADMO Cn1ncc(Br)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000487299110 650732385 /nfs/dbraw/zinc/73/23/85/650732385.db2.gz TZKNYASKHPOGMW-FMKPAKJESA-N 1 1 389.297 2.429 20 0 GEADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2sccc2Cl)c1 ZINC000487295701 650732499 /nfs/dbraw/zinc/73/24/99/650732499.db2.gz DOMAKNHGEDJSKC-JTQLQIEISA-N 1 1 387.914 2.426 20 0 GEADMO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487317660 650732764 /nfs/dbraw/zinc/73/27/64/650732764.db2.gz HGOXKRYIBYVXLP-WFASDCNBSA-N 1 1 383.286 2.148 20 0 GEADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N(CCO)Cc1cccc(Br)c1 ZINC000487494015 650734564 /nfs/dbraw/zinc/73/45/64/650734564.db2.gz DCSCHUMDWHQNGA-HNNXBMFYSA-N 1 1 382.302 2.190 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487510075 650734898 /nfs/dbraw/zinc/73/48/98/650734898.db2.gz ZVPUCFILJTWDDH-UHFFFAOYSA-N 1 1 381.274 2.158 20 0 GEADMO C[C@H]1[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CCC[N@H+]1C ZINC000487555385 650735519 /nfs/dbraw/zinc/73/55/19/650735519.db2.gz GGMLOGRZYBMLID-XJKSGUPXSA-N 1 1 384.318 2.436 20 0 GEADMO C[N@@H+](CCNC(=O)NCc1n[nH]cc1Br)Cc1ccc(F)cc1 ZINC000531137269 650735587 /nfs/dbraw/zinc/73/55/87/650735587.db2.gz NGZLEERUXCLDHO-UHFFFAOYSA-N 1 1 384.253 2.243 20 0 GEADMO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1c(Br)cnn1C ZINC000487555459 650735628 /nfs/dbraw/zinc/73/56/28/650735628.db2.gz USVUKVPOCHPJMA-LLVKDONJSA-N 1 1 376.258 2.071 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000531722897 650743482 /nfs/dbraw/zinc/74/34/82/650743482.db2.gz MJDHIWGFTCIBOB-SNVBAGLBSA-N 1 1 388.693 2.499 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487819199 650738238 /nfs/dbraw/zinc/73/82/38/650738238.db2.gz PGHPRAIVGQLOID-CQSZACIVSA-N 1 1 383.290 2.171 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000487844342 650738368 /nfs/dbraw/zinc/73/83/68/650738368.db2.gz VGSJIQXBGAZYQD-BXUZGUMPSA-N 1 1 383.290 2.170 20 0 GEADMO C[N@@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000487961445 650740062 /nfs/dbraw/zinc/74/00/62/650740062.db2.gz WIHRUNNWLUJDKT-OAHLLOKOSA-N 1 1 385.295 2.492 20 0 GEADMO Cc1ccc(SCCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000531570245 650741030 /nfs/dbraw/zinc/74/10/30/650741030.db2.gz DYDCZWOXPVBHNH-MRXNPFEDSA-N 1 1 384.567 2.055 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000531722896 650743319 /nfs/dbraw/zinc/74/33/19/650743319.db2.gz MJDHIWGFTCIBOB-JTQLQIEISA-N 1 1 388.693 2.499 20 0 GEADMO 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GEADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+](C)C1 ZINC000413900980 648083292 /nfs/dbraw/zinc/08/32/92/648083292.db2.gz LQBLBCQOUSMFDH-NSHDSACASA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+](C)C1 ZINC000413915327 648085236 /nfs/dbraw/zinc/08/52/36/648085236.db2.gz HSQBMRKNTRQOPX-LBPRGKRZSA-N 1 1 394.269 2.107 20 0 GEADMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414278521 648089471 /nfs/dbraw/zinc/08/94/71/648089471.db2.gz XDUKFVARUYJCPX-GFCCVEGCSA-N 1 1 390.347 2.061 20 0 GEADMO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414280546 648089796 /nfs/dbraw/zinc/08/97/96/648089796.db2.gz DFFRDPQCOVZDOD-LBPRGKRZSA-N 1 1 390.347 2.061 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414280546 648089801 /nfs/dbraw/zinc/08/98/01/648089801.db2.gz DFFRDPQCOVZDOD-LBPRGKRZSA-N 1 1 390.347 2.061 20 0 GEADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCC(F)(F)C[NH3+])ccc1Cl ZINC000414715192 648101211 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COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)ccc2Br)CC[N@@H+](C)C1 ZINC000416962659 648219467 /nfs/dbraw/zinc/21/94/67/648219467.db2.gz QUDFJOXQHTVVQW-LBPRGKRZSA-N 1 1 384.274 2.326 20 0 GEADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC[C@@H]1CCC[NH2+]C1 ZINC000417718814 648258450 /nfs/dbraw/zinc/25/84/50/648258450.db2.gz CASZXRXBLNXMIA-LLVKDONJSA-N 1 1 393.289 2.033 20 0 GEADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC[C@@H]1CCC[NH2+]C1 ZINC000417718814 648258456 /nfs/dbraw/zinc/25/84/56/648258456.db2.gz CASZXRXBLNXMIA-LLVKDONJSA-N 1 1 393.289 2.033 20 0 GEADMO CCC[NH2+]CCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417717706 648258539 /nfs/dbraw/zinc/25/85/39/648258539.db2.gz BFNVNABOCCCSTE-UHFFFAOYSA-N 1 1 381.278 2.033 20 0 GEADMO CCC[NH2+]CCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417717706 648258546 /nfs/dbraw/zinc/25/85/46/648258546.db2.gz BFNVNABOCCCSTE-UHFFFAOYSA-N 1 1 381.278 2.033 20 0 GEADMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417721102 648259130 /nfs/dbraw/zinc/25/91/30/648259130.db2.gz FKPNYKPFDSGAAU-ZWNOBZJWSA-N 1 1 393.289 2.031 20 0 GEADMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417721102 648259137 /nfs/dbraw/zinc/25/91/37/648259137.db2.gz FKPNYKPFDSGAAU-ZWNOBZJWSA-N 1 1 393.289 2.031 20 0 GEADMO CC[NH2+][C@H](C)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417720682 648259273 /nfs/dbraw/zinc/25/92/73/648259273.db2.gz FFKPJPOGMDYCIZ-SNVBAGLBSA-N 1 1 381.278 2.031 20 0 GEADMO CC[NH2+][C@H](C)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417720682 648259277 /nfs/dbraw/zinc/25/92/77/648259277.db2.gz FFKPJPOGMDYCIZ-SNVBAGLBSA-N 1 1 381.278 2.031 20 0 GEADMO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417729659 648259508 /nfs/dbraw/zinc/25/95/08/648259508.db2.gz NELJFXXZMOQAOA-PWSUYJOCSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417729659 648259513 /nfs/dbraw/zinc/25/95/13/648259513.db2.gz NELJFXXZMOQAOA-PWSUYJOCSA-N 1 1 393.289 2.113 20 0 GEADMO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417735687 648260339 /nfs/dbraw/zinc/26/03/39/648260339.db2.gz SKBBEDNJUVKJSC-CHWSQXEVSA-N 1 1 393.289 2.303 20 0 GEADMO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417735687 648260343 /nfs/dbraw/zinc/26/03/43/648260343.db2.gz SKBBEDNJUVKJSC-CHWSQXEVSA-N 1 1 393.289 2.303 20 0 GEADMO C[C@H]1[NH2+]CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H]1C ZINC000417741678 648260835 /nfs/dbraw/zinc/26/08/35/648260835.db2.gz ZHZNAYFQVIJIBC-GHMZBOCLSA-N 1 1 393.289 2.126 20 0 GEADMO C[C@H]1[NH2+]CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]1C ZINC000417741678 648260839 /nfs/dbraw/zinc/26/08/39/648260839.db2.gz ZHZNAYFQVIJIBC-GHMZBOCLSA-N 1 1 393.289 2.126 20 0 GEADMO COCC[N@H+]1CC[C@H](NCc2ccc(F)cc2I)C1 ZINC000417932861 648266783 /nfs/dbraw/zinc/26/67/83/648266783.db2.gz RBGIVBVEZZFLSQ-ZDUSSCGKSA-N 1 1 378.229 2.241 20 0 GEADMO COCCN1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417932861 648266787 /nfs/dbraw/zinc/26/67/87/648266787.db2.gz RBGIVBVEZZFLSQ-ZDUSSCGKSA-N 1 1 378.229 2.241 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418260758 648290184 /nfs/dbraw/zinc/29/01/84/648290184.db2.gz HBHGXTPGGLPNQA-OAHLLOKOSA-N 1 1 384.253 2.168 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)[C@@H]1n1cccn1 ZINC000419202688 648341570 /nfs/dbraw/zinc/34/15/70/648341570.db2.gz ZCMTYONKZJNEET-FZKCQIBNSA-N 1 1 393.285 2.180 20 0 GEADMO Cc1cc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1Br ZINC000419322253 648347073 /nfs/dbraw/zinc/34/70/73/648347073.db2.gz HGCYMXUWVRLZMJ-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C[N@H+]1CCO ZINC000419328443 648347799 /nfs/dbraw/zinc/34/77/99/648347799.db2.gz OUSIGXTXRFLKDD-OLZOCXBDSA-N 1 1 385.302 2.107 20 0 GEADMO Cc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000419339226 648348432 /nfs/dbraw/zinc/34/84/32/648348432.db2.gz LUCOIBURFNQBRO-KGLIPLIRSA-N 1 1 384.318 2.083 20 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GEADMO C[NH+]1CCN(CC2CN(C(=O)CCCc3ccccc3Br)C2)CC1 ZINC000615273393 651859068 /nfs/dbraw/zinc/85/90/68/651859068.db2.gz PJGIVLZTEBGYJK-UHFFFAOYSA-N 1 1 394.357 2.478 20 0 GEADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)[C@H](C(F)(F)F)C1 ZINC000571888945 651859846 /nfs/dbraw/zinc/85/98/46/651859846.db2.gz WAPYSTXZGOVYLH-GIPNMCIBSA-N 1 1 376.341 2.421 20 0 GEADMO C[NH+]1CCN(CC2CN(C(=O)C(C)(C)c3ccccc3Br)C2)CC1 ZINC000615278726 651859928 /nfs/dbraw/zinc/85/99/28/651859928.db2.gz JKZVNCSQEWFHJG-UHFFFAOYSA-N 1 1 394.357 2.433 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1F ZINC000615276287 651860074 /nfs/dbraw/zinc/86/00/74/651860074.db2.gz RCXWSUDXVVYQJB-CVEARBPZSA-N 1 1 385.277 2.452 20 0 GEADMO C[NH+]1CCN(CC2CN(C(=O)c3c(Cl)cccc3Br)C2)CC1 ZINC000615281915 651860560 /nfs/dbraw/zinc/86/05/60/651860560.db2.gz XNKRDXMEUNHVKV-UHFFFAOYSA-N 1 1 386.721 2.422 20 0 GEADMO C[N@@H+](C[C@@H](O)CNCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000571910311 651861000 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CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632047077 652546598 /nfs/dbraw/zinc/54/65/98/652546598.db2.gz BRLKJFOCELRCIX-NSHDSACASA-N 1 1 396.376 2.399 20 0 GEADMO CCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)S(N)(=O)=O ZINC000665386368 652552040 /nfs/dbraw/zinc/55/20/40/652552040.db2.gz VNRCKLUGAZMHQR-HZPDHXFCSA-N 1 1 387.933 2.050 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000589177891 652561323 /nfs/dbraw/zinc/56/13/23/652561323.db2.gz SBNWMZYRAILZHX-QWRGUYRKSA-N 1 1 390.347 2.475 20 0 GEADMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc(F)ccc1Br ZINC000632478401 652565978 /nfs/dbraw/zinc/56/59/78/652565978.db2.gz FNRWRENVBWILIS-CYBMUJFWSA-N 1 1 377.279 2.303 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[C@H](C)C1 ZINC000632566566 652566971 /nfs/dbraw/zinc/56/69/71/652566971.db2.gz GEKTTXYPAUGPBF-HGBDLFLASA-N 1 1 393.325 2.248 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[C@H](C)C1 ZINC000632566566 652566975 /nfs/dbraw/zinc/56/69/75/652566975.db2.gz GEKTTXYPAUGPBF-HGBDLFLASA-N 1 1 393.325 2.248 20 0 GEADMO Cn1nc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000589646490 652570401 /nfs/dbraw/zinc/57/04/01/652570401.db2.gz ZYNDCEDTFXQEDC-UHFFFAOYSA-N 1 1 378.885 2.295 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@@H]2C1 ZINC000590045309 652573382 /nfs/dbraw/zinc/57/33/82/652573382.db2.gz PAUUQGGTBSXDKD-AMIZOPFISA-N 1 1 392.187 2.346 20 0 GEADMO CC1(C)CN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC[N@@H+]1CCO ZINC000632675667 652573708 /nfs/dbraw/zinc/57/37/08/652573708.db2.gz SLZHLSGDKXHEQL-UHFFFAOYSA-N 1 1 379.448 2.096 20 0 GEADMO CC1(C)CN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC[N@H+]1CCO ZINC000632675667 652573715 /nfs/dbraw/zinc/57/37/15/652573715.db2.gz SLZHLSGDKXHEQL-UHFFFAOYSA-N 1 1 379.448 2.096 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000632842929 652581407 /nfs/dbraw/zinc/58/14/07/652581407.db2.gz ZKMPQUOXQJXXFG-UHFFFAOYSA-N 1 1 392.301 2.040 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000592090949 652584972 /nfs/dbraw/zinc/58/49/72/652584972.db2.gz IIVOIZGQLXZSLD-ZDUSSCGKSA-N 1 1 399.285 2.061 20 0 GEADMO C[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000633128973 652587052 /nfs/dbraw/zinc/58/70/52/652587052.db2.gz IEDZQTOCKZLJNA-HZMBPMFUSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000633128973 652587057 /nfs/dbraw/zinc/58/70/57/652587057.db2.gz IEDZQTOCKZLJNA-HZMBPMFUSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000633129458 652587156 /nfs/dbraw/zinc/58/71/56/652587156.db2.gz MPJAJLHQVMSMSO-IAQYHMDHSA-N 1 1 388.281 2.449 20 0 GEADMO C[C@@H](NC(=O)N(C)Cc1ccc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000633129458 652587160 /nfs/dbraw/zinc/58/71/60/652587160.db2.gz MPJAJLHQVMSMSO-IAQYHMDHSA-N 1 1 388.281 2.449 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1C[N@H+](C)CCO1 ZINC000633129796 652587483 /nfs/dbraw/zinc/58/74/83/652587483.db2.gz RTRSVZBCPLJFKC-GFVQHMJJSA-N 1 1 394.313 2.106 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129796 652587490 /nfs/dbraw/zinc/58/74/90/652587490.db2.gz RTRSVZBCPLJFKC-GFVQHMJJSA-N 1 1 394.313 2.106 20 0 GEADMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000592386138 652592456 /nfs/dbraw/zinc/59/24/56/652592456.db2.gz VRPRNGDFEYGUJV-GFCCVEGCSA-N 1 1 394.278 2.054 20 0 GEADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000592389086 652592884 /nfs/dbraw/zinc/59/28/84/652592884.db2.gz RQUKBISEXNDHGR-OAHLLOKOSA-N 1 1 382.869 2.019 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000592389934 652593298 /nfs/dbraw/zinc/59/32/98/652593298.db2.gz CMXLDXSKBSZESW-IOASZLSFSA-N 1 1 389.309 2.490 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000592389934 652593301 /nfs/dbraw/zinc/59/33/01/652593301.db2.gz CMXLDXSKBSZESW-IOASZLSFSA-N 1 1 389.309 2.490 20 0 GEADMO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000592404556 652593653 /nfs/dbraw/zinc/59/36/53/652593653.db2.gz KVVHXKRTWCMHJU-CABCVRRESA-N 1 1 383.286 2.129 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000633428160 652596527 /nfs/dbraw/zinc/59/65/27/652596527.db2.gz KYKZFLLWZQZIQP-SWLSCSKDSA-N 1 1 396.333 2.341 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](Cc2cn(-c3ccccc3Br)nn2)C[C@H]1C ZINC000592515430 652598224 /nfs/dbraw/zinc/59/82/24/652598224.db2.gz DFUUJFAHLBPQPP-DGCLKSJQSA-N 1 1 379.258 2.271 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C[C@H]1C ZINC000592515430 652598228 /nfs/dbraw/zinc/59/82/28/652598228.db2.gz DFUUJFAHLBPQPP-DGCLKSJQSA-N 1 1 379.258 2.271 20 0 GEADMO C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000760318110 652603377 /nfs/dbraw/zinc/60/33/77/652603377.db2.gz HEMGXZKUOMKANI-QMMMGPOBSA-N 1 1 377.080 2.383 20 0 GEADMO C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[N@H+]1C ZINC000760318110 652603380 /nfs/dbraw/zinc/60/33/80/652603380.db2.gz HEMGXZKUOMKANI-QMMMGPOBSA-N 1 1 377.080 2.383 20 0 GEADMO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1C[N@H+](C)CCO1 ZINC000760390800 652606357 /nfs/dbraw/zinc/60/63/57/652606357.db2.gz RWHNKTVMEGCEJP-SWLSCSKDSA-N 1 1 393.285 2.084 20 0 GEADMO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000760390800 652606361 /nfs/dbraw/zinc/60/63/61/652606361.db2.gz RWHNKTVMEGCEJP-SWLSCSKDSA-N 1 1 393.285 2.084 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000592878247 652606705 /nfs/dbraw/zinc/60/67/05/652606705.db2.gz CDCIRFBMUQHEQZ-LBPRGKRZSA-N 1 1 379.302 2.296 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000593313326 652616691 /nfs/dbraw/zinc/61/66/91/652616691.db2.gz HRXSKBRPYDHMHC-CQSZACIVSA-N 1 1 389.924 2.270 20 0 GEADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3SCCS3)cc2)CC1 ZINC000761178130 652635827 /nfs/dbraw/zinc/63/58/27/652635827.db2.gz NILYFMSJSUZWMP-UHFFFAOYSA-N 1 1 379.551 2.138 20 0 GEADMO CN(C)c1[nH+]cc(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)n1C ZINC000761270073 652639941 /nfs/dbraw/zinc/63/99/41/652639941.db2.gz UPFJKQSLADWNMO-CYBMUJFWSA-N 1 1 392.257 2.042 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000668365392 652640371 /nfs/dbraw/zinc/64/03/71/652640371.db2.gz IQYZSYDSPGABDN-IUODEOHRSA-N 1 1 382.302 2.227 20 0 GEADMO Cn1nncc1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000668490262 652645123 /nfs/dbraw/zinc/64/51/23/652645123.db2.gz UFZZTSLVUVPESL-UHFFFAOYSA-N 1 1 382.295 2.445 20 0 GEADMO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@H]1COCCO1 ZINC000668544716 652646644 /nfs/dbraw/zinc/64/66/44/652646644.db2.gz FWWYELOUTZUBDB-INIZCTEOSA-N 1 1 385.302 2.133 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Br)ccc1C(N)=O ZINC000634652496 652647214 /nfs/dbraw/zinc/64/72/14/652647214.db2.gz SDCPLIRKWQRYJU-OAHLLOKOSA-N 1 1 393.281 2.420 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000761504583 652649611 /nfs/dbraw/zinc/64/96/11/652649611.db2.gz NPQFFWCAWVXUOF-ZDUSSCGKSA-N 1 1 389.974 2.192 20 0 GEADMO O=C(OCCC[NH+]1CCOCC1)c1c(F)cccc1I ZINC000761520649 652650320 /nfs/dbraw/zinc/65/03/20/652650320.db2.gz KKMSJHWWPYBBQX-UHFFFAOYSA-N 1 1 393.196 2.309 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1F ZINC000594463646 652657237 /nfs/dbraw/zinc/65/72/37/652657237.db2.gz JFNNAKAMNLVVEB-UHFFFAOYSA-N 1 1 392.880 2.418 20 0 GEADMO Cc1c(Br)cncc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000668671016 652658984 /nfs/dbraw/zinc/65/89/84/652658984.db2.gz OCQCQTIHGFREHZ-MRXNPFEDSA-N 1 1 383.334 2.154 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000668727210 652663804 /nfs/dbraw/zinc/66/38/04/652663804.db2.gz VAOWUGLMYBKYTO-SNVBAGLBSA-N 1 1 388.331 2.116 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668798105 652667592 /nfs/dbraw/zinc/66/75/92/652667592.db2.gz ITIGHMFMSYTOOZ-JTQLQIEISA-N 1 1 381.274 2.445 20 0 GEADMO O=C1N[C@]2(CCSC2)C(=O)N1C[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000762188682 652679889 /nfs/dbraw/zinc/67/98/89/652679889.db2.gz CPVCPEMDTUBXJO-YJBOKZPZSA-N 1 1 377.535 2.032 20 0 GEADMO O=C1N[C@]2(CCSC2)C(=O)N1C[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000762188682 652679893 /nfs/dbraw/zinc/67/98/93/652679893.db2.gz CPVCPEMDTUBXJO-YJBOKZPZSA-N 1 1 377.535 2.032 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccsc1Br ZINC000668995192 652680347 /nfs/dbraw/zinc/68/03/47/652680347.db2.gz IYECLXHNJQAJRE-LLVKDONJSA-N 1 1 388.331 2.116 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2sccc2S(N)(=O)=O)[C@@H]1c1cccs1 ZINC000669150184 652682130 /nfs/dbraw/zinc/68/21/30/652682130.db2.gz PJHFILDKKNJQMT-SMDDNHRTSA-N 1 1 399.563 2.270 20 0 GEADMO COC(=O)c1cc(NC(=O)CC[NH+]2CCOCC2)cc(Br)c1F ZINC000762500292 652693783 /nfs/dbraw/zinc/69/37/83/652693783.db2.gz CSHWOAZBULSDLM-UHFFFAOYSA-N 1 1 389.221 2.036 20 0 GEADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC[C@H]1CCCC[NH2+]1 ZINC000669493739 652702769 /nfs/dbraw/zinc/70/27/69/652702769.db2.gz FTZANLRPIFQVKV-CYBMUJFWSA-N 1 1 393.289 2.176 20 0 GEADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC[C@H]1CCCC[NH2+]1 ZINC000669493739 652702778 /nfs/dbraw/zinc/70/27/78/652702778.db2.gz FTZANLRPIFQVKV-CYBMUJFWSA-N 1 1 393.289 2.176 20 0 GEADMO C[C@](N)(C(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(Br)cc1 ZINC000669513433 652704315 /nfs/dbraw/zinc/70/43/15/652704315.db2.gz NRRGTCYBVSXUBJ-QGZVFWFLSA-N 1 1 375.270 2.302 20 0 GEADMO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000762600150 652706061 /nfs/dbraw/zinc/70/60/61/652706061.db2.gz WWXVJRUVJSOBLB-JZAWBGDQSA-N 1 1 385.599 2.309 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@@H](C)O1 ZINC000635279106 652709877 /nfs/dbraw/zinc/70/98/77/652709877.db2.gz SBTGQYITKYGQDV-HFAKWTLXSA-N 1 1 398.301 2.131 20 0 GEADMO C[NH+]1CCN(CCCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635281009 652710403 /nfs/dbraw/zinc/71/04/03/652710403.db2.gz XKODLSWHWODLCT-UHFFFAOYSA-N 1 1 377.291 2.472 20 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Cc1cc(Br)cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000891704553 654307816 /nfs/dbraw/zinc/30/78/16/654307816.db2.gz CROOPCADUDTIHI-UHFFFAOYSA-N 1 1 381.318 2.287 20 0 GEADMO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000891702507 654307962 /nfs/dbraw/zinc/30/79/62/654307962.db2.gz UNPHCEVVNRBRFX-QFBILLFUSA-N 1 1 392.341 2.367 20 0 GEADMO C[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)[C@@H](C)C[N@H+]1CCO ZINC000853694904 654315610 /nfs/dbraw/zinc/31/56/10/654315610.db2.gz ZWZGPXZDNMYKAX-BDAKNGLRSA-N 1 1 388.697 2.265 20 0 GEADMO O[C@H](C[NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cccc(Br)c1 ZINC000872221750 654318157 /nfs/dbraw/zinc/31/81/57/654318157.db2.gz JLIBNGDBDXBECX-CQSZACIVSA-N 1 1 381.274 2.284 20 0 GEADMO OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921764589 654319363 /nfs/dbraw/zinc/31/93/63/654319363.db2.gz LZCRCLVWWCZPMX-CABCVRRESA-N 1 1 379.302 2.145 20 0 GEADMO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000921764589 654319366 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Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[N@H+](C)C3)nc12 ZINC000680387539 532413589 /nfs/dbraw/zinc/41/35/89/532413589.db2.gz WQPICMHGGKGJME-CQSZACIVSA-N 1 1 394.317 2.341 20 0 GEADMO COc1cc(CNC(=O)[C@H](C)[NH+]2CCSCC2)c(Br)cc1O ZINC000649195732 532416745 /nfs/dbraw/zinc/41/67/45/532416745.db2.gz UIRFYMFJDKEXQP-JTQLQIEISA-N 1 1 389.315 2.217 20 0 GEADMO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000427207428 532416314 /nfs/dbraw/zinc/41/63/14/532416314.db2.gz VYLWCLNFLRANGD-QWHCGFSZSA-N 1 1 383.480 2.325 20 0 GEADMO COc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1O ZINC000680649435 532418632 /nfs/dbraw/zinc/41/86/32/532418632.db2.gz BLZBXNJJPREVKG-HNNXBMFYSA-N 1 1 398.345 2.375 20 0 GEADMO CNS(=O)(=O)NC1CC[NH+](Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000280937579 532417874 /nfs/dbraw/zinc/41/78/74/532417874.db2.gz HORFLLPIYZNMLW-UHFFFAOYSA-N 1 1 382.917 2.215 20 0 GEADMO Cc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Br ZINC000465786157 532419954 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20 0 GEADMO C[C@H]1C[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@H+]1C ZINC000428168584 532446528 /nfs/dbraw/zinc/44/65/28/532446528.db2.gz BXBAQFJDHPJIJD-IUCAKERBSA-N 1 1 380.283 2.130 20 0 GEADMO CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1Br ZINC000627264890 532448316 /nfs/dbraw/zinc/44/83/16/532448316.db2.gz AEQDBJHJAYDXIC-ZIAGYGMSSA-N 1 1 381.314 2.394 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000592313923 532448685 /nfs/dbraw/zinc/44/86/85/532448685.db2.gz XMOBUHAPJVIPMH-ZDUSSCGKSA-N 1 1 385.295 2.411 20 0 GEADMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(C)c1Br ZINC000682897145 532450380 /nfs/dbraw/zinc/45/03/80/532450380.db2.gz HAVPDIDGKIVAMM-UHFFFAOYSA-N 1 1 396.329 2.348 20 0 GEADMO Cc1sc(Br)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C ZINC000282255101 532450751 /nfs/dbraw/zinc/45/07/51/532450751.db2.gz HAFRTMDWCYPOQT-UHFFFAOYSA-N 1 1 388.331 2.021 20 0 GEADMO O=C(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000194488234 532452695 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O=C(NCc1cc(Cl)cc(Br)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651156293 532461953 /nfs/dbraw/zinc/46/19/53/532461953.db2.gz ISXXSZDVTANMQB-CQSZACIVSA-N 1 1 388.693 2.063 20 0 GEADMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428796693 532462177 /nfs/dbraw/zinc/46/21/77/532462177.db2.gz MSJOLRVSIPZBEL-NSHDSACASA-N 1 1 394.324 2.288 20 0 GEADMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000562336703 532462583 /nfs/dbraw/zinc/46/25/83/532462583.db2.gz FVGDURCIISDOHP-LSDHHAIUSA-N 1 1 388.917 2.270 20 0 GEADMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565681 532457801 /nfs/dbraw/zinc/45/78/01/532457801.db2.gz DRFXMYQFUDVZCV-STQMWFEESA-N 1 1 388.917 2.402 20 0 GEADMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000373565681 532457810 /nfs/dbraw/zinc/45/78/10/532457810.db2.gz DRFXMYQFUDVZCV-STQMWFEESA-N 1 1 388.917 2.402 20 0 GEADMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC000562336703 532462590 /nfs/dbraw/zinc/46/25/90/532462590.db2.gz FVGDURCIISDOHP-LSDHHAIUSA-N 1 1 388.917 2.270 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2ccc(I)cc2NC)[C@@H](C)C1 ZINC000519178244 532458942 /nfs/dbraw/zinc/45/89/42/532458942.db2.gz FBSXABRVJSYTDU-NSHDSACASA-N 1 1 387.265 2.499 20 0 GEADMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295583353 532460159 /nfs/dbraw/zinc/46/01/59/532460159.db2.gz ZSGYTPABAGHDDU-UNEWFSDZSA-N 1 1 375.296 2.138 20 0 GEADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccoc1Br ZINC000194848261 532460904 /nfs/dbraw/zinc/46/09/04/532460904.db2.gz UBYAQJFAPPJECX-CQSZACIVSA-N 1 1 379.254 2.191 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1ccc(Br)cc1F ZINC000592788845 532464338 /nfs/dbraw/zinc/46/43/38/532464338.db2.gz LMZFTCOXLPCTCR-CYBMUJFWSA-N 1 1 386.309 2.273 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1cncc(Br)c1)c1ccsc1 ZINC000519483698 532464714 /nfs/dbraw/zinc/46/47/14/532464714.db2.gz XDBYBOPLCNSIBX-CYBMUJFWSA-N 1 1 390.328 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314346 532465309 /nfs/dbraw/zinc/46/53/09/532465309.db2.gz XOPPTVZPILWKKR-LLVKDONJSA-N 1 1 396.358 3.034 20 0 GEADMO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314346 532465315 /nfs/dbraw/zinc/46/53/15/532465315.db2.gz XOPPTVZPILWKKR-LLVKDONJSA-N 1 1 396.358 3.034 20 0 GEADMO C[C@@H]1[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCC[N@H+]1C ZINC000428973420 532467199 /nfs/dbraw/zinc/46/71/99/532467199.db2.gz YQBMKXAAGCYPOL-FRFSOERESA-N 1 1 398.345 2.382 20 0 GEADMO CN(C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000683622334 532462960 /nfs/dbraw/zinc/46/29/60/532462960.db2.gz ASSMEFQACLZSRG-GXTWGEPZSA-N 1 1 380.286 2.428 20 0 GEADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468545673 532469088 /nfs/dbraw/zinc/46/90/88/532469088.db2.gz ZKRMSRDRXQDGPW-HZSPNIEDSA-N 1 1 387.571 2.317 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000373792670 532470228 /nfs/dbraw/zinc/47/02/28/532470228.db2.gz XAYMNAINBAZQQD-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000373792670 532470234 /nfs/dbraw/zinc/47/02/34/532470234.db2.gz XAYMNAINBAZQQD-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000562535766 532470352 /nfs/dbraw/zinc/47/03/52/532470352.db2.gz LYGXEYVYNSKNRF-CQSZACIVSA-N 1 1 389.315 2.036 20 0 GEADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000562535766 532470355 /nfs/dbraw/zinc/47/03/55/532470355.db2.gz LYGXEYVYNSKNRF-CQSZACIVSA-N 1 1 389.315 2.036 20 0 GEADMO O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628546794 532470941 /nfs/dbraw/zinc/47/09/41/532470941.db2.gz XZOVSQLSHQPYSK-CYBMUJFWSA-N 1 1 398.301 2.295 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000373792669 532470984 /nfs/dbraw/zinc/47/09/84/532470984.db2.gz XAYMNAINBAZQQD-AWEZNQCLSA-N 1 1 382.917 2.359 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000373792669 532470991 /nfs/dbraw/zinc/47/09/91/532470991.db2.gz XAYMNAINBAZQQD-AWEZNQCLSA-N 1 1 382.917 2.359 20 0 GEADMO Brc1cc2cccnc2c(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000519605633 532471115 /nfs/dbraw/zinc/47/11/15/532471115.db2.gz LXWOKTLJDYGXQK-KRWDZBQOSA-N 1 1 375.314 2.477 20 0 GEADMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684182975 532471404 /nfs/dbraw/zinc/47/14/04/532471404.db2.gz MRORCCZVZMMBSR-LSDHHAIUSA-N 1 1 388.270 2.368 20 0 GEADMO CC[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@H+]1C[C@@H](C)O ZINC000282567129 532478741 /nfs/dbraw/zinc/47/87/41/532478741.db2.gz TUDLPXISLHHBMD-YPMHNXCESA-N 1 1 395.301 2.243 20 0 GEADMO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000295836944 532480365 /nfs/dbraw/zinc/48/03/65/532480365.db2.gz AHQHGMCANCRPRH-SMDDNHRTSA-N 1 1 385.921 2.208 20 0 GEADMO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000295836942 532480989 /nfs/dbraw/zinc/48/09/89/532480989.db2.gz AHQHGMCANCRPRH-FZMZJTMJSA-N 1 1 385.921 2.208 20 0 GEADMO O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629170880 532482663 /nfs/dbraw/zinc/48/26/63/532482663.db2.gz ZDJJRCIRRNIJBC-MRXNPFEDSA-N 1 1 379.913 2.113 20 0 GEADMO COCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000282600624 532482704 /nfs/dbraw/zinc/48/27/04/532482704.db2.gz YFLSJVLFPBEJGU-UHFFFAOYSA-N 1 1 398.280 2.152 20 0 GEADMO C[C@@H](CNC(=O)Cn1cc(Br)cn1)[N@H+]1CCc2ccccc2C1 ZINC000520002691 532483408 /nfs/dbraw/zinc/48/34/08/532483408.db2.gz PPWLMLCIYUBZSW-ZDUSSCGKSA-N 1 1 377.286 2.209 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000684794447 532484596 /nfs/dbraw/zinc/48/45/96/532484596.db2.gz NMGJNTJVWNJKDP-CAPXZKIUSA-N 1 1 382.302 2.323 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684794447 532484602 /nfs/dbraw/zinc/48/46/02/532484602.db2.gz NMGJNTJVWNJKDP-CAPXZKIUSA-N 1 1 382.302 2.323 20 0 GEADMO C[N@H+]1CCN(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000282635951 532484848 /nfs/dbraw/zinc/48/48/48/532484848.db2.gz TUEOIZSJZCJMKG-UHFFFAOYSA-N 1 1 379.448 2.010 20 0 GEADMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000520182807 532485323 /nfs/dbraw/zinc/48/53/23/532485323.db2.gz GQQIBPQKJIAAKZ-JSGCOSHPSA-N 1 1 383.286 2.291 20 0 GEADMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000374033744 532486739 /nfs/dbraw/zinc/48/67/39/532486739.db2.gz NCEWBWDTLHUGNU-WMLDXEAASA-N 1 1 387.293 2.418 20 0 GEADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000374033744 532486742 /nfs/dbraw/zinc/48/67/42/532486742.db2.gz NCEWBWDTLHUGNU-WMLDXEAASA-N 1 1 387.293 2.418 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@@H](CO)C1)Nc1ccc(I)cc1 ZINC000374049978 532486929 /nfs/dbraw/zinc/48/69/29/532486929.db2.gz LUZSJSKIZMXQBG-GFCCVEGCSA-N 1 1 388.249 2.324 20 0 GEADMO COC1(CS(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CCOCC1 ZINC000651692780 532487675 /nfs/dbraw/zinc/48/76/75/532487675.db2.gz REJFICIPTHGTCG-INIZCTEOSA-N 1 1 390.933 2.058 20 0 GEADMO Cc1nn2c(C[NH2+]CCS(=O)(=O)CCc3ccccc3)c(C)nc2s1 ZINC000282679151 532488069 /nfs/dbraw/zinc/48/80/69/532488069.db2.gz NHAQUXHEOCCLEX-UHFFFAOYSA-N 1 1 378.523 2.155 20 0 GEADMO Cn1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(-c2ccccc2Cl)n1 ZINC000430108219 532488628 /nfs/dbraw/zinc/48/86/28/532488628.db2.gz SDCWPKXDVMFEAB-AWEZNQCLSA-N 1 1 382.917 2.206 20 0 GEADMO Cn1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(-c2ccccc2Cl)n1 ZINC000430108219 532488632 /nfs/dbraw/zinc/48/86/32/532488632.db2.gz SDCWPKXDVMFEAB-AWEZNQCLSA-N 1 1 382.917 2.206 20 0 GEADMO COc1nccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000295930367 532488701 /nfs/dbraw/zinc/48/87/01/532488701.db2.gz AOGCUBFWAROVIN-CQSZACIVSA-N 1 1 377.242 2.143 20 0 GEADMO COCCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1OC ZINC000469053488 532488900 /nfs/dbraw/zinc/48/89/00/532488900.db2.gz VCEXTNDTPGJYKX-UHFFFAOYSA-N 1 1 385.507 2.475 20 0 GEADMO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295963296 532490647 /nfs/dbraw/zinc/49/06/47/532490647.db2.gz BVVSWDJWYOPTJI-SNVBAGLBSA-N 1 1 392.258 2.034 20 0 GEADMO COCCN1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430134870 532490986 /nfs/dbraw/zinc/49/09/86/532490986.db2.gz DPQHNUTVAZZUEY-INIZCTEOSA-N 1 1 375.282 2.322 20 0 GEADMO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1nnc2n1CCC2 ZINC000562988416 532492518 /nfs/dbraw/zinc/49/25/18/532492518.db2.gz ZJGCRFGURVTZFR-GXFFZTMASA-N 1 1 399.264 2.216 20 0 GEADMO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000430272148 532493208 /nfs/dbraw/zinc/49/32/08/532493208.db2.gz XFHKOWBITIWWAX-OAHLLOKOSA-N 1 1 388.693 2.499 20 0 GEADMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000430272148 532493219 /nfs/dbraw/zinc/49/32/19/532493219.db2.gz XFHKOWBITIWWAX-OAHLLOKOSA-N 1 1 388.693 2.499 20 0 GEADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000563024659 532493554 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C[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000562625714 532475346 /nfs/dbraw/zinc/47/53/46/532475346.db2.gz LCADDTNFGKDWPY-CYBMUJFWSA-N 1 1 394.273 2.393 20 0 GEADMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(Br)cc1C ZINC000651547885 532475672 /nfs/dbraw/zinc/47/56/72/532475672.db2.gz BXJUSLMTRRLVDN-NSHDSACASA-N 1 1 397.360 2.208 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(Br)cc1C ZINC000651547885 532475675 /nfs/dbraw/zinc/47/56/75/532475675.db2.gz BXJUSLMTRRLVDN-NSHDSACASA-N 1 1 397.360 2.208 20 0 GEADMO C[C@H]1C[C@H](NC(=O)COc2cccc(I)c2)CC[N@H+]1C ZINC000469464118 532503188 /nfs/dbraw/zinc/50/31/88/532503188.db2.gz DWRJJKHBUPZOMC-WCQYABFASA-N 1 1 388.249 2.269 20 0 GEADMO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000521076426 532504588 /nfs/dbraw/zinc/50/45/88/532504588.db2.gz TUCICNKWTHMFOY-CQSZACIVSA-N 1 1 394.313 2.198 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000630006097 532505572 /nfs/dbraw/zinc/50/55/72/532505572.db2.gz 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Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Br ZINC000469613290 532506934 /nfs/dbraw/zinc/50/69/34/532506934.db2.gz LBQPZIQONBOFRA-QWHCGFSZSA-N 1 1 380.286 2.439 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C1 ZINC000594457019 532507088 /nfs/dbraw/zinc/50/70/88/532507088.db2.gz VZEYQNGETXTVEF-LLVKDONJSA-N 1 1 392.880 2.228 20 0 GEADMO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000296229859 532508514 /nfs/dbraw/zinc/50/85/14/532508514.db2.gz KNGDAAALGPANMR-ZFWWWQNUSA-N 1 1 385.555 2.138 20 0 GEADMO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000296229859 532508518 /nfs/dbraw/zinc/50/85/18/532508518.db2.gz KNGDAAALGPANMR-ZFWWWQNUSA-N 1 1 385.555 2.138 20 0 GEADMO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000470010381 532519054 /nfs/dbraw/zinc/51/90/54/532519054.db2.gz WRAFYFRPDCZDRP-MRXNPFEDSA-N 1 1 380.330 2.401 20 0 GEADMO O=C(Cc1csc(NC(=O)c2cccs2)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000521223386 532509404 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[NH3+]Cc1nc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cs1 ZINC000237930860 532513593 /nfs/dbraw/zinc/51/35/93/532513593.db2.gz NGKXSAIDCNRHEJ-QMMMGPOBSA-N 1 1 376.265 2.078 20 0 GEADMO [NH3+]Cc1nc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cs1 ZINC000237930349 532513905 /nfs/dbraw/zinc/51/39/05/532513905.db2.gz NGKXSAIDCNRHEJ-MRVPVSSYSA-N 1 1 376.265 2.078 20 0 GEADMO C[C@@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000652464211 532514300 /nfs/dbraw/zinc/51/43/00/532514300.db2.gz OSCJEUYAJIZVGW-IAQYHMDHSA-N 1 1 376.284 2.391 20 0 GEADMO C[C@@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000652464211 532514304 /nfs/dbraw/zinc/51/43/04/532514304.db2.gz OSCJEUYAJIZVGW-IAQYHMDHSA-N 1 1 376.284 2.391 20 0 GEADMO C[C@H](NC(=O)NC/C=C/c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000652463930 532514585 /nfs/dbraw/zinc/51/45/85/532514585.db2.gz CNTRMHPNRHTPFL-JNFNSLLPSA-N 1 1 382.302 2.481 20 0 GEADMO C[C@H](NC(=O)NC/C=C/c1ccc(Br)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000652463930 532514588 /nfs/dbraw/zinc/51/45/88/532514588.db2.gz CNTRMHPNRHTPFL-JNFNSLLPSA-N 1 1 382.302 2.481 20 0 GEADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000283066100 532516568 /nfs/dbraw/zinc/51/65/68/532516568.db2.gz NARHDOHIOZFLPS-UHFFFAOYSA-N 1 1 393.962 2.385 20 0 GEADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000594651565 532516586 /nfs/dbraw/zinc/51/65/86/532516586.db2.gz JKJVMCGVOKKDIH-ZDUSSCGKSA-N 1 1 381.270 2.434 20 0 GEADMO [NH3+]Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cs1 ZINC000238045148 532516650 /nfs/dbraw/zinc/51/66/50/532516650.db2.gz VYRKNQDCHPXEBQ-LLVKDONJSA-N 1 1 381.299 2.373 20 0 GEADMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@H]2CCNC(=O)CC2)c1 ZINC000296396201 532519368 /nfs/dbraw/zinc/51/93/68/532519368.db2.gz UOFSKFZSGCRKOO-MLGOLLRUSA-N 1 1 385.302 2.339 20 0 GEADMO [NH3+]Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cs1 ZINC000238047721 532517432 /nfs/dbraw/zinc/51/74/32/532517432.db2.gz VYRKNQDCHPXEBQ-NSHDSACASA-N 1 1 381.299 2.373 20 0 GEADMO Cc1cnc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)s1 ZINC000296380140 532517797 /nfs/dbraw/zinc/51/77/97/532517797.db2.gz KIZBHALOXCSIDD-HNNXBMFYSA-N 1 1 381.523 2.199 20 0 GEADMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470028295 532518355 /nfs/dbraw/zinc/51/83/55/532518355.db2.gz MLHDBMKCIMLJHI-CYBMUJFWSA-N 1 1 389.279 2.468 20 0 GEADMO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470028295 532518360 /nfs/dbraw/zinc/51/83/60/532518360.db2.gz MLHDBMKCIMLJHI-CYBMUJFWSA-N 1 1 389.279 2.468 20 0 GEADMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)s2)cn1 ZINC000282797028 532497951 /nfs/dbraw/zinc/49/79/51/532497951.db2.gz MTIPUHLGGJAVNP-OAHLLOKOSA-N 1 1 380.539 2.149 20 0 GEADMO COC(=O)c1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(C)s1 ZINC000282813397 532499413 /nfs/dbraw/zinc/49/94/13/532499413.db2.gz RJYYIRYDTLDDOW-UHFFFAOYSA-N 1 1 386.539 2.233 20 0 GEADMO COCCNC(=O)C1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000685833472 532500091 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/nfs/dbraw/zinc/74/37/95/532743795.db2.gz AOGXETHAJYUDMC-UHFFFAOYSA-N 1 1 381.177 2.233 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000502894704 532743932 /nfs/dbraw/zinc/74/39/32/532743932.db2.gz CNYBCRWOIPJVIW-AWEZNQCLSA-N 1 1 387.933 2.417 20 0 GEADMO Cc1nnc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864743 532746639 /nfs/dbraw/zinc/74/66/39/532746639.db2.gz PFHJSTANGRNBJV-ZFWWWQNUSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864743 532746644 /nfs/dbraw/zinc/74/66/44/532746644.db2.gz PFHJSTANGRNBJV-ZFWWWQNUSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864743 532746648 /nfs/dbraw/zinc/74/66/48/532746648.db2.gz PFHJSTANGRNBJV-ZFWWWQNUSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864743 532746653 /nfs/dbraw/zinc/74/66/53/532746653.db2.gz PFHJSTANGRNBJV-ZFWWWQNUSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864743 532746656 /nfs/dbraw/zinc/74/66/56/532746656.db2.gz PFHJSTANGRNBJV-ZFWWWQNUSA-N 1 1 395.301 2.495 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000540910103 532747686 /nfs/dbraw/zinc/74/76/86/532747686.db2.gz ZLKHPUBWRAAHOH-XHDPSFHLSA-N 1 1 395.301 2.170 20 0 GEADMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000539808820 532733864 /nfs/dbraw/zinc/73/38/64/532733864.db2.gz XZEOQXITMXVFPF-TZMCWYRMSA-N 1 1 395.301 2.115 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267615028 532747838 /nfs/dbraw/zinc/74/78/38/532747838.db2.gz CDBFAAOQBPJJSY-GFCCVEGCSA-N 1 1 380.286 2.378 20 0 GEADMO C[NH+](C)Cc1cc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)ccc1Cl ZINC000500745904 532735639 /nfs/dbraw/zinc/73/56/39/532735639.db2.gz RWUXEDJSNBYPLX-UHFFFAOYSA-N 1 1 381.885 2.442 20 0 GEADMO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614501481 532736921 /nfs/dbraw/zinc/73/69/21/532736921.db2.gz FMLQRKVQFOVLQN-CYBMUJFWSA-N 1 1 386.721 2.151 20 0 GEADMO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000501127692 532737157 /nfs/dbraw/zinc/73/71/57/532737157.db2.gz IZJWMIGRHUFFST-HOCLYGCPSA-N 1 1 379.551 2.272 20 0 GEADMO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515016 532738206 /nfs/dbraw/zinc/73/82/06/532738206.db2.gz RPIBPNOJEHXAFS-OAHLLOKOSA-N 1 1 396.329 2.113 20 0 GEADMO COC(=O)CC[N@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H](C)C1 ZINC000540422464 532739122 /nfs/dbraw/zinc/73/91/22/532739122.db2.gz URCPEYCSSHJOOB-GFCCVEGCSA-N 1 1 399.285 2.247 20 0 GEADMO O=C(CCCc1ccc(Br)s1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614511552 532739195 /nfs/dbraw/zinc/73/91/95/532739195.db2.gz JRJFSDOENCVYIL-CYBMUJFWSA-N 1 1 386.359 2.339 20 0 GEADMO C[C@H]1COCC[N@@H+]1CCN1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000410412031 532740100 /nfs/dbraw/zinc/74/01/00/532740100.db2.gz YBRNTMWLAJPUTA-AWEZNQCLSA-N 1 1 379.551 2.441 20 0 GEADMO C[C@H]1COCC[N@H+]1CCN1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000410412031 532740104 /nfs/dbraw/zinc/74/01/04/532740104.db2.gz YBRNTMWLAJPUTA-AWEZNQCLSA-N 1 1 379.551 2.441 20 0 GEADMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2I)[C@H](C)C1 ZINC000286317138 532740329 /nfs/dbraw/zinc/74/03/29/532740329.db2.gz DEMHGXMCVXRMIO-GFCCVEGCSA-N 1 1 387.265 2.256 20 0 GEADMO CNS(=O)(=O)c1cccc2c1CCN(c1cc[nH+]cc1Br)C2 ZINC000286335360 532740427 /nfs/dbraw/zinc/74/04/27/532740427.db2.gz GMHLAGJIXDLAGT-UHFFFAOYSA-N 1 1 382.283 2.315 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)c2csc(=O)[nH]2)CC1 ZINC000579321985 532740587 /nfs/dbraw/zinc/74/05/87/532740587.db2.gz YHCNIRVGJOKGQK-UHFFFAOYSA-N 1 1 398.286 2.010 20 0 GEADMO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000502821452 532741228 /nfs/dbraw/zinc/74/12/28/532741228.db2.gz GRQNFFRQWIEKED-UHFFFAOYSA-N 1 1 383.290 2.414 20 0 GEADMO C[N@H+]1CCCN(CCCNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000676378559 532741764 /nfs/dbraw/zinc/74/17/64/532741764.db2.gz HEJNCMUMKYDKOU-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO CN1CCC[N@H+](CCCNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000676378559 532741768 /nfs/dbraw/zinc/74/17/68/532741768.db2.gz HEJNCMUMKYDKOU-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO CN1CCC[N@@H+](CCCNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000676378559 532741771 /nfs/dbraw/zinc/74/17/71/532741771.db2.gz HEJNCMUMKYDKOU-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000268072451 532755055 /nfs/dbraw/zinc/75/50/55/532755055.db2.gz WRRBEDKSXWDOGD-MKBNYLNASA-N 1 1 390.311 2.435 20 0 GEADMO COc1ccc(Br)cc1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620481529 532763456 /nfs/dbraw/zinc/76/34/56/532763456.db2.gz FXEHCNOKHSQZAR-AWEZNQCLSA-N 1 1 383.286 2.129 20 0 GEADMO Cc1cc(Br)cnc1N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000301659574 532756495 /nfs/dbraw/zinc/75/64/95/532756495.db2.gz WWZSXPLLYHWPJG-UHFFFAOYSA-N 1 1 377.290 2.335 20 0 GEADMO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000268179547 532757249 /nfs/dbraw/zinc/75/72/49/532757249.db2.gz QRWKXRMUDGRAAA-LBPRGKRZSA-N 1 1 389.315 2.019 20 0 GEADMO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cnn1C ZINC000541661564 532757318 /nfs/dbraw/zinc/75/73/18/532757318.db2.gz PMTOBNMVJISTSI-SNVBAGLBSA-N 1 1 384.889 2.075 20 0 GEADMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1F ZINC000286596182 532757386 /nfs/dbraw/zinc/75/73/86/532757386.db2.gz GQHFPCYYMVKRIC-WCQYABFASA-N 1 1 387.297 2.194 20 0 GEADMO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1F ZINC000286596178 532757557 /nfs/dbraw/zinc/75/75/57/532757557.db2.gz GQHFPCYYMVKRIC-DGCLKSJQSA-N 1 1 387.297 2.194 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000541721814 532758667 /nfs/dbraw/zinc/75/86/67/532758667.db2.gz LALWJENNKFORTJ-LLVKDONJSA-N 1 1 396.285 2.242 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000411387603 532758839 /nfs/dbraw/zinc/75/88/39/532758839.db2.gz KNPURWNUQWVGNH-FHLIZLRMSA-N 1 1 387.567 2.436 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000411387603 532758844 /nfs/dbraw/zinc/75/88/44/532758844.db2.gz KNPURWNUQWVGNH-FHLIZLRMSA-N 1 1 387.567 2.436 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000411387604 532759357 /nfs/dbraw/zinc/75/93/57/532759357.db2.gz KNPURWNUQWVGNH-JLSDUUJJSA-N 1 1 387.567 2.436 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000411387604 532759362 /nfs/dbraw/zinc/75/93/62/532759362.db2.gz KNPURWNUQWVGNH-JLSDUUJJSA-N 1 1 387.567 2.436 20 0 GEADMO C[C@@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)CC[N@H+]1CC(C)(C)O ZINC000286662531 532761162 /nfs/dbraw/zinc/76/11/62/532761162.db2.gz CRNMORMQSCSQLD-GFCCVEGCSA-N 1 1 395.301 2.014 20 0 GEADMO CCN(Cc1cc(Br)ccc1F)C[C@H](O)C[N@@H+](C)CCOC ZINC000583031817 532762561 /nfs/dbraw/zinc/76/25/61/532762561.db2.gz DQDPCLRMEFTSPY-OAHLLOKOSA-N 1 1 377.298 2.349 20 0 GEADMO CN(C)S(=O)(=O)C[C@@H](Nc1cc[nH+]cc1Br)C(F)(F)F ZINC000286698848 532762688 /nfs/dbraw/zinc/76/26/88/532762688.db2.gz YIBSJVZQOJWFCI-SECBINFHSA-N 1 1 376.198 2.078 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411265063 532752522 /nfs/dbraw/zinc/75/25/22/532752522.db2.gz NUWFOUFNEUXIFR-NSHDSACASA-N 1 1 377.304 2.143 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411265063 532752523 /nfs/dbraw/zinc/75/25/23/532752523.db2.gz NUWFOUFNEUXIFR-NSHDSACASA-N 1 1 377.304 2.143 20 0 GEADMO CC[N@H+]1CCN(CC(=O)Nc2ccc(I)cc2)[C@@H](C)C1 ZINC000286530132 532753038 /nfs/dbraw/zinc/75/30/38/532753038.db2.gz NPZKTCPDUDTVAF-LBPRGKRZSA-N 1 1 387.265 2.256 20 0 GEADMO O=C(c1ccc(Br)cc1)N1CC[NH+](CCC2OCCCO2)CC1 ZINC000267988170 532753853 /nfs/dbraw/zinc/75/38/53/532753853.db2.gz ZTTNAHJRBPQBNP-UHFFFAOYSA-N 1 1 383.286 2.360 20 0 GEADMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)C(=O)NCC(F)(F)F ZINC000411761306 532774907 /nfs/dbraw/zinc/77/49/07/532774907.db2.gz VAHRIKVUGBYHSI-WRWORJQWSA-N 1 1 387.171 2.278 20 0 GEADMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000542693038 532776101 /nfs/dbraw/zinc/77/61/01/532776101.db2.gz VHDLYKZONGLKKU-HNNXBMFYSA-N 1 1 376.247 2.221 20 0 GEADMO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000453816259 532777287 /nfs/dbraw/zinc/77/72/87/532777287.db2.gz IKCUVYDTQWNLAU-LBPRGKRZSA-N 1 1 388.295 2.203 20 0 GEADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000512273293 532777434 /nfs/dbraw/zinc/77/74/34/532777434.db2.gz ZJDHHBRXNKHJQM-JTQLQIEISA-N 1 1 380.297 2.075 20 0 GEADMO Cc1nc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000310790851 532777857 /nfs/dbraw/zinc/77/78/57/532777857.db2.gz DPSCLPILFSEMSE-SWLSCSKDSA-N 1 1 380.539 2.421 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000411857864 532777911 /nfs/dbraw/zinc/77/79/11/532777911.db2.gz IRNVTOPQPILHGL-UHFFFAOYSA-N 1 1 375.282 2.367 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000512270493 532777918 /nfs/dbraw/zinc/77/79/18/532777918.db2.gz MMYCXHHAGRQXAM-DYVFJYSZSA-N 1 1 386.323 2.435 20 0 GEADMO Cn1ncc(Cl)c1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512895033 532778976 /nfs/dbraw/zinc/77/89/76/532778976.db2.gz MUUNQNDMJMCEGU-UHFFFAOYSA-N 1 1 397.715 2.448 20 0 GEADMO COc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c(Br)c1O ZINC000512898487 532778987 /nfs/dbraw/zinc/77/89/87/532778987.db2.gz CYSCIZKHDJKNBA-VIFPVBQESA-N 1 1 378.288 2.219 20 0 GEADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000454005917 532779205 /nfs/dbraw/zinc/77/92/05/532779205.db2.gz UEOCMQNQDVLRDG-NSHDSACASA-N 1 1 386.265 2.469 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478182 532763533 /nfs/dbraw/zinc/76/35/33/532763533.db2.gz UEADIJXEPMZARZ-XJKSGUPXSA-N 1 1 397.313 2.274 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620488201 532763794 /nfs/dbraw/zinc/76/37/94/532763794.db2.gz GQEBZQXVAWBKIY-CYBMUJFWSA-N 1 1 383.286 2.129 20 0 GEADMO 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CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000736637902 598760507 /nfs/dbraw/zinc/76/05/07/598760507.db2.gz UOOSKQCOOQZOHG-HOTGVXAUSA-N 1 1 385.472 2.356 20 0 GEADMO Cc1nccc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737499587 598761045 /nfs/dbraw/zinc/76/10/45/598761045.db2.gz MBUKRFBXDQHANX-HNNXBMFYSA-N 1 1 392.467 2.173 20 0 GEADMO O=C1[C@@H]([N@H+]2CC[C@@H](Nc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291564 598764470 /nfs/dbraw/zinc/76/44/70/598764470.db2.gz VHIZWJWMQJDSFO-MJGOQNOKSA-N 1 1 389.463 2.158 20 0 GEADMO Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822230933 599305164 /nfs/dbraw/zinc/30/51/64/599305164.db2.gz VOFIYTHYMPQZHE-FQEVSTJZSA-N 1 1 378.480 2.421 20 0 GEADMO Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822230934 599305368 /nfs/dbraw/zinc/30/53/68/599305368.db2.gz VOFIYTHYMPQZHE-HXUWFJFHSA-N 1 1 378.480 2.421 20 0 GEADMO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822230779 599306969 /nfs/dbraw/zinc/30/69/69/599306969.db2.gz QGOIYFVEMJDVPB-LJQANCHMSA-N 1 1 382.443 2.170 20 0 GEADMO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737120872 599312318 /nfs/dbraw/zinc/31/23/18/599312318.db2.gz IJHHXSJTFYIYBP-HNNXBMFYSA-N 1 1 392.463 2.394 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736860231 599433726 /nfs/dbraw/zinc/43/37/26/599433726.db2.gz MRZTUMYGVMCXPZ-INIZCTEOSA-N 1 1 392.511 2.021 20 0 GEADMO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000737740746 599445957 /nfs/dbraw/zinc/44/59/57/599445957.db2.gz OHQMJJQAOZVYOG-GOSISDBHSA-N 1 1 380.427 2.412 20 0 GEADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736238736 599478915 /nfs/dbraw/zinc/47/89/15/599478915.db2.gz ZVVXCAAAYSSCPF-KDOFPFPSSA-N 1 1 394.454 2.500 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC[C@@H](N4CCNC4=O)C3)c2c1 ZINC000822194945 599495916 /nfs/dbraw/zinc/49/59/16/599495916.db2.gz AXTNDRXOXZQEQD-CQSZACIVSA-N 1 1 392.467 2.026 20 0 GEADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736705398 599504000 /nfs/dbraw/zinc/50/40/00/599504000.db2.gz IPRTZUDAGBBRMP-INIZCTEOSA-N 1 1 380.456 2.172 20 0 GEADMO COC(=O)N1CCC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)C1 ZINC000821664997 599516518 /nfs/dbraw/zinc/51/65/18/599516518.db2.gz RJONHDRKSCYRJV-CYBMUJFWSA-N 1 1 381.440 2.096 20 0 GEADMO C[C@H]1CN(c2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820778985 599531018 /nfs/dbraw/zinc/53/10/18/599531018.db2.gz ZSPZTUCFRXTQHV-IFXJQAMLSA-N 1 1 382.443 2.250 20 0 GEADMO COCC[N@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)C[C@H]1C ZINC000821691040 599534887 /nfs/dbraw/zinc/53/48/87/599534887.db2.gz GEMVCVKSJOMLFT-CYBMUJFWSA-N 1 1 385.447 2.019 20 0 GEADMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313325 599534940 /nfs/dbraw/zinc/53/49/40/599534940.db2.gz 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GEADMO O=C(NCCCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000823190701 599548453 /nfs/dbraw/zinc/54/84/53/599548453.db2.gz DDKOKLHUHUHBQQ-UHFFFAOYSA-N 1 1 391.410 2.208 20 0 GEADMO CC[NH+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736570935 599561907 /nfs/dbraw/zinc/56/19/07/599561907.db2.gz PYFWMMJEVDEBCG-UHFFFAOYSA-N 1 1 377.452 2.388 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736849787 599565689 /nfs/dbraw/zinc/56/56/89/599565689.db2.gz XBGZBTANWXPKMA-CQSZACIVSA-N 1 1 377.452 2.292 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736857568 599569802 /nfs/dbraw/zinc/56/98/02/599569802.db2.gz ORLRKUAQVPDWDW-SFHVURJKSA-N 1 1 377.452 2.434 20 0 GEADMO c1cn([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000738446378 599579848 /nfs/dbraw/zinc/57/98/48/599579848.db2.gz WUEGRUPHUFPRNN-QGZVFWFLSA-N 1 1 375.440 2.221 20 0 GEADMO c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000738446378 599579850 /nfs/dbraw/zinc/57/98/50/599579850.db2.gz WUEGRUPHUFPRNN-QGZVFWFLSA-N 1 1 375.440 2.221 20 0 GEADMO CCc1nc(CN2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)cs1 ZINC000736704093 599581081 /nfs/dbraw/zinc/58/10/81/599581081.db2.gz IPBPPUDRZUAFRQ-UHFFFAOYSA-N 1 1 399.524 2.082 20 0 GEADMO CCc1nc(CN2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736705200 599581107 /nfs/dbraw/zinc/58/11/07/599581107.db2.gz YWMHVQXDTHDARM-UHFFFAOYSA-N 1 1 399.524 2.082 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000819939438 599588359 /nfs/dbraw/zinc/58/83/59/599588359.db2.gz BWPYUQNPJOMCLV-CQSZACIVSA-N 1 1 388.472 2.235 20 0 GEADMO C[C@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666269 599589750 /nfs/dbraw/zinc/58/97/50/599589750.db2.gz HLTFPNSVJUMTSU-QWRGUYRKSA-N 1 1 389.410 2.333 20 0 GEADMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335126 599589814 /nfs/dbraw/zinc/58/98/14/599589814.db2.gz 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ZINC000826407422 607646818 /nfs/dbraw/zinc/64/68/18/607646818.db2.gz MOSQIZIPCGVNJY-CHWSQXEVSA-N 1 1 376.486 2.005 20 0 GEADMO CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000825381099 607703996 /nfs/dbraw/zinc/70/39/96/607703996.db2.gz ZLUJJZAGWZCOGQ-ZBFHGGJFSA-N 1 1 379.468 2.492 20 0 GEADMO C[C@@H](CCNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000833515147 605054250 /nfs/dbraw/zinc/05/42/50/605054250.db2.gz MPEBTQJVRVEYFN-ZWKOTPCHSA-N 1 1 390.528 2.087 20 0 GEADMO C[C@@H](CCNC(=O)N1CC[NH+](CCC(=O)[O-])C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000833515147 605054252 /nfs/dbraw/zinc/05/42/52/605054252.db2.gz MPEBTQJVRVEYFN-ZWKOTPCHSA-N 1 1 390.528 2.087 20 0 GEADMO C[C@@H](CCNC(=O)N1CC[NH+](CCC(=O)[O-])C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000833515147 605054254 /nfs/dbraw/zinc/05/42/54/605054254.db2.gz MPEBTQJVRVEYFN-ZWKOTPCHSA-N 1 1 390.528 2.087 20 0 GEADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000825897993 607735032 /nfs/dbraw/zinc/73/50/32/607735032.db2.gz UMQYCQQIFJQGGY-UHFFFAOYSA-N 1 1 399.421 2.075 20 0 GEADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000833622038 605135610 /nfs/dbraw/zinc/13/56/10/605135610.db2.gz DRSIYEWRRYVGQR-HOTGVXAUSA-N 1 1 394.541 2.075 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1CCC(=O)[O-] ZINC000833619181 605275245 /nfs/dbraw/zinc/27/52/45/605275245.db2.gz SVNHVOJTZWSSKU-SJLPKXTDSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1CCC(=O)[O-] ZINC000833619181 605275250 /nfs/dbraw/zinc/27/52/50/605275250.db2.gz SVNHVOJTZWSSKU-SJLPKXTDSA-N 1 1 391.487 2.045 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1CCC(=O)[O-] ZINC000833619181 605275254 /nfs/dbraw/zinc/27/52/54/605275254.db2.gz SVNHVOJTZWSSKU-SJLPKXTDSA-N 1 1 391.487 2.045 20 0 GEADMO CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)O1 ZINC000833576174 605349220 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CCS[C@@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821446937 606190722 /nfs/dbraw/zinc/19/07/22/606190722.db2.gz GBTYVIHRZUUCGZ-LSDHHAIUSA-N 1 1 395.554 2.246 20 0 GEADMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821446937 606190723 /nfs/dbraw/zinc/19/07/23/606190723.db2.gz GBTYVIHRZUUCGZ-LSDHHAIUSA-N 1 1 395.554 2.246 20 0 GEADMO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000820769025 606225669 /nfs/dbraw/zinc/22/56/69/606225669.db2.gz QMMNEPJGMAQRAO-NHYWBVRUSA-N 1 1 382.390 2.042 20 0 GEADMO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000823467576 606251000 /nfs/dbraw/zinc/25/10/00/606251000.db2.gz XTPSTDYODMVUNO-UHFFFAOYSA-N 1 1 385.859 2.196 20 0 GEADMO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000823467576 606251001 /nfs/dbraw/zinc/25/10/01/606251001.db2.gz XTPSTDYODMVUNO-UHFFFAOYSA-N 1 1 385.859 2.196 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000821001345 606275207 /nfs/dbraw/zinc/27/52/07/606275207.db2.gz QMUMLIPKIVGSKT-HOTGVXAUSA-N 1 1 386.525 2.434 20 0 GEADMO C[N@H+](CCCOc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821600631 606315390 /nfs/dbraw/zinc/31/53/90/606315390.db2.gz WAGOZZLJGOSROK-MRXNPFEDSA-N 1 1 398.492 2.434 20 0 GEADMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821600631 606315392 /nfs/dbraw/zinc/31/53/92/606315392.db2.gz WAGOZZLJGOSROK-MRXNPFEDSA-N 1 1 398.492 2.434 20 0 GEADMO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000821651722 606319121 /nfs/dbraw/zinc/31/91/21/606319121.db2.gz FMZWFQOFPQZOGL-QXGSTGNESA-N 1 1 398.511 2.418 20 0 GEADMO CCCO[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821127211 606322287 /nfs/dbraw/zinc/32/22/87/606322287.db2.gz CYHPETUCJCUTAI-DZGCQCFKSA-N 1 1 390.513 2.315 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000634 606333704 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ZINC000451096881 650085775 /nfs/dbraw/zinc/08/57/75/650085775.db2.gz CDQNPDNVWPZTCE-GFCCVEGCSA-N 1 1 379.295 2.492 20 0 GEADMO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000451208081 650096498 /nfs/dbraw/zinc/09/64/98/650096498.db2.gz NBWTUSICDJFIFU-CPJLOUKISA-N 1 1 387.929 2.020 20 0 GEADMO CC[N@H+]1CCCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451174877 650093246 /nfs/dbraw/zinc/09/32/46/650093246.db2.gz YZRDOXHSTYSJOP-UHFFFAOYSA-N 1 1 379.295 2.446 20 0 GEADMO O=C1NCCN1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451196097 650095506 /nfs/dbraw/zinc/09/55/06/650095506.db2.gz VLIJUTGGQBMBRG-CQSZACIVSA-N 1 1 399.276 2.181 20 0 GEADMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000451327101 650103736 /nfs/dbraw/zinc/10/37/36/650103736.db2.gz FZRNLTDXOLSCMN-SUMWQHHRSA-N 1 1 392.279 2.245 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C2(CCCC2)CN1C[C@@H](O)C(F)(F)F ZINC000451349917 650106082 /nfs/dbraw/zinc/10/60/82/650106082.db2.gz ZVLMUSKSYGHFTC-IJLUTSLNSA-N 1 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COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451456217 650116252 /nfs/dbraw/zinc/11/62/52/650116252.db2.gz KZUXYZZIVCJJHA-RVKKMQEKSA-N 1 1 399.329 2.286 20 0 GEADMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000451660089 650130001 /nfs/dbraw/zinc/13/00/01/650130001.db2.gz PGHQMQPCOIECIW-IAGOWNOFSA-N 1 1 375.918 2.117 20 0 GEADMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000451660089 650130002 /nfs/dbraw/zinc/13/00/02/650130002.db2.gz PGHQMQPCOIECIW-IAGOWNOFSA-N 1 1 375.918 2.117 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c(F)c1Cl ZINC000451668150 650131486 /nfs/dbraw/zinc/13/14/86/650131486.db2.gz KVIVVPXCZKUANA-SNVBAGLBSA-N 1 1 385.288 2.258 20 0 GEADMO O=S(=O)(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)c(F)c1Cl ZINC000451668150 650131489 /nfs/dbraw/zinc/13/14/89/650131489.db2.gz KVIVVPXCZKUANA-SNVBAGLBSA-N 1 1 385.288 2.258 20 0 GEADMO O=S(=O)(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c(F)c1Cl ZINC000451668149 650131499 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ZINC000451914339 650153162 /nfs/dbraw/zinc/15/31/62/650153162.db2.gz UEIKBQLWQLUYKN-SWLSCSKDSA-N 1 1 381.416 2.104 20 0 GEADMO CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451914339 650153164 /nfs/dbraw/zinc/15/31/64/650153164.db2.gz UEIKBQLWQLUYKN-SWLSCSKDSA-N 1 1 381.416 2.104 20 0 GEADMO COC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000451923099 650153972 /nfs/dbraw/zinc/15/39/72/650153972.db2.gz GZYBPYIMLUWUCO-INIZCTEOSA-N 1 1 378.803 2.211 20 0 GEADMO COC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000451923099 650153973 /nfs/dbraw/zinc/15/39/73/650153973.db2.gz GZYBPYIMLUWUCO-INIZCTEOSA-N 1 1 378.803 2.211 20 0 GEADMO CCN1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000451996090 650163460 /nfs/dbraw/zinc/16/34/60/650163460.db2.gz XUWVDJFVISZBPO-UHFFFAOYSA-N 1 1 397.361 2.393 20 0 GEADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c(-c2ccc(Cl)s2)n1 ZINC000452363398 650181858 /nfs/dbraw/zinc/18/18/58/650181858.db2.gz LXXWFXMBWDYFGO-GFCCVEGCSA-N 1 1 382.917 2.379 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c(F)cc(Br)cc1F ZINC000452361292 650181869 /nfs/dbraw/zinc/18/18/69/650181869.db2.gz JWXXPGSEMCEBAO-NSHDSACASA-N 1 1 377.229 2.304 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452361700 650181961 /nfs/dbraw/zinc/18/19/61/650181961.db2.gz KBNVJBLJSLGSCP-ZFWWWQNUSA-N 1 1 385.302 2.179 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452383458 650183323 /nfs/dbraw/zinc/18/33/23/650183323.db2.gz AQQSDBBFXYKAOD-HIFRSBDPSA-N 1 1 385.302 2.179 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br)C1CC1 ZINC000453643361 650211809 /nfs/dbraw/zinc/21/18/09/650211809.db2.gz LADYNVQEGTUGHC-UHFFFAOYSA-N 1 1 386.265 2.436 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000453739994 650221542 /nfs/dbraw/zinc/22/15/42/650221542.db2.gz DDDPOKWVVSCUGI-GHMZBOCLSA-N 1 1 386.265 2.386 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000453739994 650221545 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CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000454050586 650249170 /nfs/dbraw/zinc/24/91/70/650249170.db2.gz XNRHJDZHIGOYNI-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454499266 650268179 /nfs/dbraw/zinc/26/81/79/650268179.db2.gz PLTAFCLESACZGC-HNNXBMFYSA-N 1 1 399.333 2.175 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000454532391 650268514 /nfs/dbraw/zinc/26/85/14/650268514.db2.gz CACQYMXMEMOACY-GFCCVEGCSA-N 1 1 376.284 2.392 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454642843 650274277 /nfs/dbraw/zinc/27/42/77/650274277.db2.gz GILNTOKDRLUNFL-BWPKMQGJSA-N 1 1 395.345 2.397 20 0 GEADMO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000454642610 650274283 /nfs/dbraw/zinc/27/42/83/650274283.db2.gz MLVKPSJELDANLS-CQSZACIVSA-N 1 1 385.917 2.040 20 0 GEADMO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000454642610 650274285 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382.555 2.196 20 0 GEADMO O=C(NC[C@@H](O)COc1ccccc1Br)[C@H]1CCCc2[nH+]ccn21 ZINC000368676382 647764001 /nfs/dbraw/zinc/76/40/01/647764001.db2.gz SKIKMKHEBFKFCR-TZMCWYRMSA-N 1 1 394.269 2.079 20 0 GEADMO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369446437 647778303 /nfs/dbraw/zinc/77/83/03/647778303.db2.gz DJWKUMQIGIWUAS-OAGGEKHMSA-N 1 1 388.295 2.189 20 0 GEADMO CC(C)N1CC[NH+](C2CCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000371342313 647792531 /nfs/dbraw/zinc/79/25/31/647792531.db2.gz WVJLBVYEVCNHLA-UHFFFAOYSA-N 1 1 382.496 2.439 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(OC)ccc3Br)C2)nn1 ZINC000371881236 647801718 /nfs/dbraw/zinc/80/17/18/647801718.db2.gz FUTQBASNSOWKGU-LBPRGKRZSA-N 1 1 395.257 2.283 20 0 GEADMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(OC)ccc3Br)C2)nn1 ZINC000371881236 647801726 /nfs/dbraw/zinc/80/17/26/647801726.db2.gz FUTQBASNSOWKGU-LBPRGKRZSA-N 1 1 395.257 2.283 20 0 GEADMO COC1(CO)CC[NH+]([C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000373188099 647810538 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GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]21 ZINC000376496242 647847109 /nfs/dbraw/zinc/84/71/09/647847109.db2.gz VSTFAUCRKHZWGR-UKRRQHHQSA-N 1 1 384.322 2.161 20 0 GEADMO COCC[NH+]1CCN([C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000376953335 647851636 /nfs/dbraw/zinc/85/16/36/647851636.db2.gz FESQRUIHBXTVEJ-KRWDZBQOSA-N 1 1 396.329 2.127 20 0 GEADMO Cn1ccc(N2CC[C@@H]([NH2+]Cc3nc4ccccn4c3Br)C2)n1 ZINC000377648174 647862764 /nfs/dbraw/zinc/86/27/64/647862764.db2.gz KYUSZSYDFIKBJK-GFCCVEGCSA-N 1 1 375.274 2.199 20 0 GEADMO C[C@@H]1C[C@@H](C)N(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC000397335296 647898051 /nfs/dbraw/zinc/89/80/51/647898051.db2.gz STZICNUZHQUQFS-UPJWGTAASA-N 1 1 379.302 2.262 20 0 GEADMO C[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1CC[NH3+] ZINC000404267415 647907275 /nfs/dbraw/zinc/90/72/75/647907275.db2.gz IJJVSCCDALOTCC-DOMZBBRYSA-N 1 1 379.302 2.406 20 0 GEADMO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405308996 647910396 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COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Br)CC[N@@H+](C)C1 ZINC000413898765 648082328 /nfs/dbraw/zinc/08/23/28/648082328.db2.gz JBRQRHVUWSPIRR-SNVBAGLBSA-N 1 1 389.677 2.279 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CC[N@@H+](C)C1 ZINC000413896456 648082432 /nfs/dbraw/zinc/08/24/32/648082432.db2.gz SJKLTMKDIZBNDM-OCCSQVGLSA-N 1 1 383.286 2.116 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413928137 648086753 /nfs/dbraw/zinc/08/67/53/648086753.db2.gz YMBHIWWXDZCJKU-VXGBXAGGSA-N 1 1 389.279 2.324 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC[N@@H+](C)C1 ZINC000413928137 648086761 /nfs/dbraw/zinc/08/67/61/648086761.db2.gz YMBHIWWXDZCJKU-VXGBXAGGSA-N 1 1 389.279 2.324 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCCCn1cc[nH+]c1C ZINC000416409576 648115185 /nfs/dbraw/zinc/11/51/85/648115185.db2.gz VCRVZXJDPCSTGN-UHFFFAOYSA-N 1 1 385.873 2.390 20 0 GEADMO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000416456302 648131535 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COc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416775548 648212169 /nfs/dbraw/zinc/21/21/69/648212169.db2.gz WFDWAVDNRWDESZ-RYUDHWBXSA-N 1 1 386.290 2.377 20 0 GEADMO COc1ccc(Br)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416775548 648212173 /nfs/dbraw/zinc/21/21/73/648212173.db2.gz WFDWAVDNRWDESZ-RYUDHWBXSA-N 1 1 386.290 2.377 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+](C)C1 ZINC000416778003 648212217 /nfs/dbraw/zinc/21/22/17/648212217.db2.gz XHKFTHJNDHCUBW-JTQLQIEISA-N 1 1 388.237 2.157 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+](C)C1 ZINC000416895307 648215429 /nfs/dbraw/zinc/21/54/29/648215429.db2.gz UBJXZYPESKWHRE-SNVBAGLBSA-N 1 1 388.237 2.157 20 0 GEADMO COc1cc(F)c(Br)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000417588794 648254321 /nfs/dbraw/zinc/25/43/21/648254321.db2.gz VAZCIAPZLIGGFZ-SNVBAGLBSA-N 1 1 390.253 2.127 20 0 GEADMO COc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000417588794 648254325 /nfs/dbraw/zinc/25/43/25/648254325.db2.gz VAZCIAPZLIGGFZ-SNVBAGLBSA-N 1 1 390.253 2.127 20 0 GEADMO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417718882 648258941 /nfs/dbraw/zinc/25/89/41/648258941.db2.gz CHKHNDGSRFDUSF-ZWNOBZJWSA-N 1 1 393.289 2.161 20 0 GEADMO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417718882 648258945 /nfs/dbraw/zinc/25/89/45/648258945.db2.gz CHKHNDGSRFDUSF-ZWNOBZJWSA-N 1 1 393.289 2.161 20 0 GEADMO C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000417742274 648260959 /nfs/dbraw/zinc/26/09/59/648260959.db2.gz ZYWWHWKNMCZOSQ-GXFFZTMASA-N 1 1 393.289 2.113 20 0 GEADMO C[C@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC[C@H]1[NH3+] ZINC000417742274 648260963 /nfs/dbraw/zinc/26/09/63/648260963.db2.gz ZYWWHWKNMCZOSQ-GXFFZTMASA-N 1 1 393.289 2.113 20 0 GEADMO COCC[N@@H+](C)CCCNCc1ccc(F)cc1I ZINC000417873626 648263938 /nfs/dbraw/zinc/26/39/38/648263938.db2.gz OCCJEIGQUDSLQX-UHFFFAOYSA-N 1 1 380.245 2.488 20 0 GEADMO COc1cc(Br)ccc1CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000417997836 648268760 /nfs/dbraw/zinc/26/87/60/648268760.db2.gz GLJDVPQTOFXSMK-UHFFFAOYSA-N 1 1 380.233 2.284 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2I)[C@@H](C)C1 ZINC000418036909 648272898 /nfs/dbraw/zinc/27/28/98/648272898.db2.gz WXPASIOMPZTKAX-NWDGAFQWSA-N 1 1 392.256 2.317 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094972 648279234 /nfs/dbraw/zinc/27/92/34/648279234.db2.gz IQOBOXYXMGCVDZ-PBHICJAKSA-N 1 1 399.308 2.371 20 0 GEADMO COC(=O)CNC(=O)[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000419014426 648327236 /nfs/dbraw/zinc/32/72/36/648327236.db2.gz IQBVCTWJDIQOKW-HNNXBMFYSA-N 1 1 392.253 2.255 20 0 GEADMO CC[C@@H](C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)OC ZINC000419212355 648342253 /nfs/dbraw/zinc/34/22/53/648342253.db2.gz ZTTASZYJNNHUFG-HNNXBMFYSA-N 1 1 385.302 2.397 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000419322141 648346894 /nfs/dbraw/zinc/34/68/94/648346894.db2.gz GYPCZOOBOMQRPV-CHWSQXEVSA-N 1 1 395.301 2.386 20 0 GEADMO C[C@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419324386 648347043 /nfs/dbraw/zinc/34/70/43/648347043.db2.gz JZNXCIYKHYMJPI-ILXRZTDVSA-N 1 1 398.345 2.013 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328447 648347922 /nfs/dbraw/zinc/34/79/22/648347922.db2.gz OUSIGXTXRFLKDD-STQMWFEESA-N 1 1 385.302 2.107 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1cc(Br)cs1 ZINC000419425058 648352264 /nfs/dbraw/zinc/35/22/64/648352264.db2.gz DOXBLPWMSAGSKP-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419442916 648352693 /nfs/dbraw/zinc/35/26/93/648352693.db2.gz RKTORSIKUJKVKZ-KFWWJZLASA-N 1 1 398.345 2.477 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419442917 648352827 /nfs/dbraw/zinc/35/28/27/648352827.db2.gz RKTORSIKUJKVKZ-QLFBSQMISA-N 1 1 398.345 2.477 20 0 GEADMO Cc1cc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1Br ZINC000419505788 648355019 /nfs/dbraw/zinc/35/50/19/648355019.db2.gz KYBWPLRARUISLH-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSCc2nnc(C3CC3)s2)C1 ZINC000419595200 648357906 /nfs/dbraw/zinc/35/79/06/648357906.db2.gz KXUXVWFVHWYARD-CQSZACIVSA-N 1 1 384.571 2.122 20 0 GEADMO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000419807244 648380465 /nfs/dbraw/zinc/38/04/65/648380465.db2.gz FONIMDWCUVLHOC-NEPJUHHUSA-N 1 1 385.192 2.181 20 0 GEADMO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000419835163 648384010 /nfs/dbraw/zinc/38/40/10/648384010.db2.gz XZQVRVAXRHTFCP-RYUDHWBXSA-N 1 1 382.096 2.218 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670942 648431874 /nfs/dbraw/zinc/43/18/74/648431874.db2.gz IPXXJMGSOBWGKD-UHFFFAOYSA-N 1 1 386.848 2.188 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421181543 648467656 /nfs/dbraw/zinc/46/76/56/648467656.db2.gz QTXWFMZDQNCHRV-ZDUSSCGKSA-N 1 1 394.313 2.186 20 0 GEADMO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2nn(C)c(C)c2Cl)CC1 ZINC000421357640 648488416 /nfs/dbraw/zinc/48/84/16/648488416.db2.gz PSLCCYBPAIVMSN-GFCCVEGCSA-N 1 1 376.954 2.264 20 0 GEADMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2nn(C)c(C)c2Cl)CC1 ZINC000421357640 648488419 /nfs/dbraw/zinc/48/84/19/648488419.db2.gz PSLCCYBPAIVMSN-GFCCVEGCSA-N 1 1 376.954 2.264 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421371069 648488663 /nfs/dbraw/zinc/48/86/63/648488663.db2.gz ZXKIAKAPHDCJDH-RDBSUJKOSA-N 1 1 399.329 2.413 20 0 GEADMO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421461498 648493652 /nfs/dbraw/zinc/49/36/52/648493652.db2.gz BGSAPRSLKIUITA-UHFFFAOYSA-N 1 1 384.498 2.495 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC12CCSCC2)c1ccsc1 ZINC000421499772 648495176 /nfs/dbraw/zinc/49/51/76/648495176.db2.gz BDEHMCVAJFCMDF-HUUCEWRRSA-N 1 1 381.567 2.117 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000421709100 648505988 /nfs/dbraw/zinc/50/59/88/648505988.db2.gz CLXGDMXPQKMAED-ZDUSSCGKSA-N 1 1 378.274 2.196 20 0 GEADMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000421715743 648506039 /nfs/dbraw/zinc/50/60/39/648506039.db2.gz YQJHCMZDTWNZBZ-GFCCVEGCSA-N 1 1 389.315 2.019 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000421715743 648506041 /nfs/dbraw/zinc/50/60/41/648506041.db2.gz YQJHCMZDTWNZBZ-GFCCVEGCSA-N 1 1 389.315 2.019 20 0 GEADMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(I)c1 ZINC000421708915 648506078 /nfs/dbraw/zinc/50/60/78/648506078.db2.gz BNPIJJMMMHWIBN-NSHDSACASA-N 1 1 388.249 2.466 20 0 GEADMO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422109835 648522903 /nfs/dbraw/zinc/52/29/03/648522903.db2.gz VXJQHGSTHQCUNT-GFCCVEGCSA-N 1 1 388.331 2.022 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000422406692 648543994 /nfs/dbraw/zinc/54/39/94/648543994.db2.gz AVTYGYXNMMLLRI-JSGCOSHPSA-N 1 1 394.313 2.115 20 0 GEADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422478156 648549330 /nfs/dbraw/zinc/54/93/30/648549330.db2.gz OPJPPDSTCHWKQS-UHFFFAOYSA-N 1 1 396.329 2.051 20 0 GEADMO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422491411 648551284 /nfs/dbraw/zinc/55/12/84/648551284.db2.gz NWDZPBZVNAHNQR-AWEZNQCLSA-N 1 1 396.329 2.256 20 0 GEADMO CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000422548336 648558295 /nfs/dbraw/zinc/55/82/95/648558295.db2.gz YTKHADRZNJTPHR-STQMWFEESA-N 1 1 394.313 2.105 20 0 GEADMO Cc1nc(C[NH3+])ccc1[C@@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750986 648574768 /nfs/dbraw/zinc/57/47/68/648574768.db2.gz ASXRLVUNCJEPAA-GFCCVEGCSA-N 1 1 382.917 2.131 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCCN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422907235 648576822 /nfs/dbraw/zinc/57/68/22/648576822.db2.gz LEJJFTZWNVETHZ-BLLLJJGKSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423423094 648590504 /nfs/dbraw/zinc/59/05/04/648590504.db2.gz KSHODQLAXZVSKP-SUMWQHHRSA-N 1 1 376.298 2.476 20 0 GEADMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000424002147 648608644 /nfs/dbraw/zinc/60/86/44/648608644.db2.gz CTDYRKBLJABBKL-ZJUUUORDSA-N 1 1 398.248 2.224 20 0 GEADMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000424002144 648608669 /nfs/dbraw/zinc/60/86/69/648608669.db2.gz CTDYRKBLJABBKL-VHSXEESVSA-N 1 1 398.248 2.224 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000424663902 648637354 /nfs/dbraw/zinc/63/73/54/648637354.db2.gz LIGNBONRPKXILB-UHFFFAOYSA-N 1 1 398.345 2.476 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000424858527 648653744 /nfs/dbraw/zinc/65/37/44/648653744.db2.gz BTAVAGNIQKEIHD-CYBMUJFWSA-N 1 1 385.302 2.343 20 0 GEADMO CN(C)c1[nH+]cc(CN(CCO)Cc2cc(Br)ccc2F)n1C ZINC000425323636 648672440 /nfs/dbraw/zinc/67/24/40/648672440.db2.gz JFIUUKSCYYTYCU-UHFFFAOYSA-N 1 1 385.281 2.382 20 0 GEADMO COc1ccc(Br)c([C@@H](CO)N(C)Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425369047 648674724 /nfs/dbraw/zinc/67/47/24/648674724.db2.gz LAVHYTBOGZEXBG-MRXNPFEDSA-N 1 1 397.317 2.423 20 0 GEADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425515141 648683778 /nfs/dbraw/zinc/68/37/78/648683778.db2.gz WOHAXDPSKRZKDC-XFBWCDHKSA-N 1 1 395.297 2.305 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1Br ZINC000425822755 648699882 /nfs/dbraw/zinc/69/98/82/648699882.db2.gz UUAQVHHJPVYKEH-WCQYABFASA-N 1 1 398.276 2.388 20 0 GEADMO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425820908 648699907 /nfs/dbraw/zinc/69/99/07/648699907.db2.gz PJCMWUQDWPXAGE-IINYFYTJSA-N 1 1 386.279 2.493 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000426195876 648707897 /nfs/dbraw/zinc/70/78/97/648707897.db2.gz ILYLWFJITXMEOF-LLVKDONJSA-N 1 1 394.324 2.336 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427079501 648722377 /nfs/dbraw/zinc/72/23/77/648722377.db2.gz CBVSNBZTCRNZJA-UHFFFAOYSA-N 1 1 378.217 2.122 20 0 GEADMO C[C@H](CNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000428573483 648738149 /nfs/dbraw/zinc/73/81/49/648738149.db2.gz NASPVKAVBZWSEN-UKRRQHHQSA-N 1 1 398.345 2.382 20 0 GEADMO O=C(NC[C@H](CO)Cc1ccccc1Br)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000428591882 648740124 /nfs/dbraw/zinc/74/01/24/648740124.db2.gz AMLZZTPUJCEESP-UKRRQHHQSA-N 1 1 396.329 2.136 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000428620648 648741748 /nfs/dbraw/zinc/74/17/48/648741748.db2.gz LUANRBGUKIPCPX-UKPHBRMFSA-N 1 1 398.345 2.382 20 0 GEADMO O=C(NCCOC(F)(F)F)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429007200 648742025 /nfs/dbraw/zinc/74/20/25/648742025.db2.gz UUIOJYXGRSTMQM-CQSZACIVSA-N 1 1 377.432 2.440 20 0 GEADMO O=C(NCCOC(F)(F)F)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429007200 648742035 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COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1 ZINC000852189974 654224511 /nfs/dbraw/zinc/22/45/11/654224511.db2.gz FOOISJNQEXRUTP-SOUVJXGZSA-N 1 1 382.254 2.343 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903208262 654226620 /nfs/dbraw/zinc/22/66/20/654226620.db2.gz FIOKTDLKNPBDKW-SNVBAGLBSA-N 1 1 393.278 2.066 20 0 GEADMO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903213329 654227481 /nfs/dbraw/zinc/22/74/81/654227481.db2.gz MNHTVLWJYXRCQJ-NSHDSACASA-N 1 1 393.278 2.066 20 0 GEADMO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(Br)cs1 ZINC000903227078 654228988 /nfs/dbraw/zinc/22/89/88/654228988.db2.gz QBVGLMWYTTUXHZ-QMMMGPOBSA-N 1 1 389.362 2.219 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000903226859 654228963 /nfs/dbraw/zinc/22/89/63/654228963.db2.gz PTMBCMBUMCYZFY-CYBMUJFWSA-N 1 1 395.344 2.083 20 0 GEADMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000903229113 654229692 /nfs/dbraw/zinc/22/96/92/654229692.db2.gz DMJHOPXJPSSQCG-NSHDSACASA-N 1 1 384.470 2.304 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852289047 654230112 /nfs/dbraw/zinc/23/01/12/654230112.db2.gz JXUJLRLDWAYPQU-AWEZNQCLSA-N 1 1 384.322 2.291 20 0 GEADMO CCOC(=O)[C@]1(F)C[N@@H+](C[C@@H](O)P(=O)(OCC)OCC)CC12CCC2 ZINC000852317206 654231783 /nfs/dbraw/zinc/23/17/83/654231783.db2.gz LEGZYAZXVRFGRZ-XJKSGUPXSA-N 1 1 381.381 2.328 20 0 GEADMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903297739 654233386 /nfs/dbraw/zinc/23/33/86/654233386.db2.gz WOPMOZSXIIOTKK-ZEGGKSINSA-N 1 1 383.297 2.095 20 0 GEADMO C[C@@](CO)(NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000890632949 654235614 /nfs/dbraw/zinc/23/56/14/654235614.db2.gz ULQAZUDPZMAJHP-SFHVURJKSA-N 1 1 399.329 2.275 20 0 GEADMO COC(=O)c1ncsc1S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921282064 654242166 /nfs/dbraw/zinc/24/21/66/654242166.db2.gz UKUGNAUASFLBLS-UHFFFAOYSA-N 1 1 387.527 2.005 20 0 GEADMO O=C(CC[N@@H+]1CCn2ncc(Br)c2C1)N1CCc2sccc2C1 ZINC000852624549 654250338 /nfs/dbraw/zinc/25/03/38/654250338.db2.gz LFOSSEXQGTVNAI-UHFFFAOYSA-N 1 1 395.326 2.498 20 0 GEADMO O=C(CC[N@H+]1CCn2ncc(Br)c2C1)N1CCc2sccc2C1 ZINC000852624549 654250348 /nfs/dbraw/zinc/25/03/48/654250348.db2.gz LFOSSEXQGTVNAI-UHFFFAOYSA-N 1 1 395.326 2.498 20 0 GEADMO Cc1ccc2c(c1Br)C[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852719389 654255485 /nfs/dbraw/zinc/25/54/85/654255485.db2.gz IETAHJUDSJHDSW-SFHVURJKSA-N 1 1 375.266 2.446 20 0 GEADMO Cc1ccc2c(c1Br)C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852719389 654255489 /nfs/dbraw/zinc/25/54/89/654255489.db2.gz IETAHJUDSJHDSW-SFHVURJKSA-N 1 1 375.266 2.446 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000903576050 654259780 /nfs/dbraw/zinc/25/97/80/654259780.db2.gz NELQTIIBQCLXKV-NSHDSACASA-N 1 1 386.823 2.358 20 0 GEADMO [NH3+][C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC[C@H]1C(F)(F)F ZINC000903578350 654260721 /nfs/dbraw/zinc/26/07/21/654260721.db2.gz GLCLOROUFUYROC-BDAKNGLRSA-N 1 1 392.321 2.311 20 0 GEADMO C[C@]12CCN(C(=O)[C@H]3CSC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901804 654266687 /nfs/dbraw/zinc/26/66/87/654266687.db2.gz RUGCXVKMPSPGSB-MRTMQBJTSA-N 1 1 384.137 2.003 20 0 GEADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921427084 654266365 /nfs/dbraw/zinc/26/63/65/654266365.db2.gz WZOINPRBEFHLJZ-CYBMUJFWSA-N 1 1 384.322 2.358 20 0 GEADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000903601525 654266760 /nfs/dbraw/zinc/26/67/60/654266760.db2.gz NQIMDXUVSDXBLX-CYBMUJFWSA-N 1 1 387.914 2.072 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921436703 654267262 /nfs/dbraw/zinc/26/72/62/654267262.db2.gz ZYTKDJHECSCZHC-SMDDNHRTSA-N 1 1 394.317 2.400 20 0 GEADMO C[C@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)C1 ZINC000903618640 654268230 /nfs/dbraw/zinc/26/82/30/654268230.db2.gz NTPXACRPMPPNQE-BSEYFRJRSA-N 1 1 388.559 2.150 20 0 GEADMO O[C@H](CNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000853031182 654273320 /nfs/dbraw/zinc/27/33/20/654273320.db2.gz HTAZQAPCAQMDEG-OAHLLOKOSA-N 1 1 392.352 2.213 20 0 GEADMO C[N@H+]1CC[C@H]1CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000921487773 654273990 /nfs/dbraw/zinc/27/39/90/654273990.db2.gz WREGYMGXOZWTTB-KRWDZBQOSA-N 1 1 395.345 2.417 20 0 GEADMO Brc1ccc(N2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903767430 654282324 /nfs/dbraw/zinc/28/23/24/654282324.db2.gz XIUWRSZPMSQSOD-QZTJIDSGSA-N 1 1 380.330 2.340 20 0 GEADMO O=C(COC(=O)CCCC[NH+]1CCOCC1)Nc1ncc(Cl)cc1Cl ZINC000803512563 654282381 /nfs/dbraw/zinc/28/23/81/654282381.db2.gz MDMHBICPRCGXFJ-UHFFFAOYSA-N 1 1 390.267 2.373 20 0 GEADMO C[NH+]1CCN(C(=O)Cc2ccc(NCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921571585 654282623 /nfs/dbraw/zinc/28/26/23/654282623.db2.gz HLSHIUFYPFROFH-UHFFFAOYSA-N 1 1 392.301 2.101 20 0 GEADMO C[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)C[C@H](O)c1ccccc1Br ZINC000832679420 654286657 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20 0 GEADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853401129 654294792 /nfs/dbraw/zinc/29/47/92/654294792.db2.gz HVASJNWCLSIJGS-ZDUSSCGKSA-N 1 1 394.313 2.146 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832782642 654296213 /nfs/dbraw/zinc/29/62/13/654296213.db2.gz JAXGBWGWJOLAKT-SNVBAGLBSA-N 1 1 387.303 2.059 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832782642 654296217 /nfs/dbraw/zinc/29/62/17/654296217.db2.gz JAXGBWGWJOLAKT-SNVBAGLBSA-N 1 1 387.303 2.059 20 0 GEADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)C1 ZINC000891529596 654299273 /nfs/dbraw/zinc/29/92/73/654299273.db2.gz SIOSWHFBEIOQRX-UIBIWLFHSA-N 1 1 386.378 2.282 20 0 GEADMO Cc1nc(CNCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)sc1Br ZINC000921654268 654299399 /nfs/dbraw/zinc/29/93/99/654299399.db2.gz WXFVLGQOYVLJOZ-LBPRGKRZSA-N 1 1 389.363 2.246 20 0 GEADMO COCC[C@@H]([NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904103451 654301694 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20 0 GEADMO COCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)o1 ZINC000892698250 654359952 /nfs/dbraw/zinc/35/99/52/654359952.db2.gz ZQXZNKCIYFOLPF-UHFFFAOYSA-N 1 1 388.873 2.026 20 0 GEADMO CN(C)c1cc[nH+]c(CNC[C@H](O)COc2ccc(Br)cc2)c1 ZINC000905526182 654363564 /nfs/dbraw/zinc/36/35/64/654363564.db2.gz UCJVTAKEHDPCTH-INIZCTEOSA-N 1 1 380.286 2.440 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)NCCc1sccc1Br ZINC000905531141 654364474 /nfs/dbraw/zinc/36/44/74/654364474.db2.gz UVZIUJMJMFZOPC-UHFFFAOYSA-N 1 1 392.388 2.240 20 0 GEADMO Cc1cc(N2CCC[C@H](OC(=O)c3cc(Br)n(C)n3)C2)nc(C)[nH+]1 ZINC000835149145 654365350 /nfs/dbraw/zinc/36/53/50/654365350.db2.gz QDYKPSBVZBFPCQ-LBPRGKRZSA-N 1 1 394.273 2.415 20 0 GEADMO C[C@@H](NC(=S)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccs1 ZINC000905556724 654365774 /nfs/dbraw/zinc/36/57/74/654365774.db2.gz WHPPQQUHYCHFMK-CVEARBPZSA-N 1 1 382.599 2.070 20 0 GEADMO S=C(Nc1ccccc1Cl)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905555431 654366052 /nfs/dbraw/zinc/36/60/52/654366052.db2.gz JJJMFLPZZJASKY-OAHLLOKOSA-N 1 1 382.961 2.423 20 0 GEADMO CCO[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)CN(C)C ZINC000905580331 654367461 /nfs/dbraw/zinc/36/74/61/654367461.db2.gz OHIAFXAYLHEJKW-CZUORRHYSA-N 1 1 377.298 2.352 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000854603432 654370117 /nfs/dbraw/zinc/37/01/17/654370117.db2.gz SHWRPADEKRMZAR-LBPRGKRZSA-N 1 1 385.917 2.085 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC[N@H+](C2CCC2)C1 ZINC000854603432 654370119 /nfs/dbraw/zinc/37/01/19/654370119.db2.gz SHWRPADEKRMZAR-LBPRGKRZSA-N 1 1 385.917 2.085 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000854642347 654372392 /nfs/dbraw/zinc/37/23/92/654372392.db2.gz KPEDJHLFPNHQKA-KBPBESRZSA-N 1 1 399.333 2.336 20 0 GEADMO CCn1c(C[NH2+][C@@H](C)CC(=O)NC)nc(Br)c1Br ZINC000922161303 654372679 /nfs/dbraw/zinc/37/26/79/654372679.db2.gz ATHDFTQKLAUAFT-ZETCQYMHSA-N 1 1 382.100 2.042 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)c1nnn(-c2ccccc2Br)c1C ZINC000922166341 654373143 /nfs/dbraw/zinc/37/31/43/654373143.db2.gz OAVFTGPSBLTUKT-LBPRGKRZSA-N 1 1 378.274 2.162 20 0 GEADMO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905696999 654375477 /nfs/dbraw/zinc/37/54/77/654375477.db2.gz SVMUVNBHVVNBJT-GDBMZVCRSA-N 1 1 395.297 2.417 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@@H]1C ZINC000835263421 654375974 /nfs/dbraw/zinc/37/59/74/654375974.db2.gz SEJBQSPJSBHXEP-RYUDHWBXSA-N 1 1 383.290 2.032 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C[C@@H]1C ZINC000835263421 654375978 /nfs/dbraw/zinc/37/59/78/654375978.db2.gz SEJBQSPJSBHXEP-RYUDHWBXSA-N 1 1 383.290 2.032 20 0 GEADMO C[C@@]12CN(S(=O)(=O)c3c[nH]nc3Cl)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000872597654 654377769 /nfs/dbraw/zinc/37/77/69/654377769.db2.gz KFIFSGUDGFRTTH-WMLDXEAASA-N 1 1 380.901 2.206 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[N@H+]1C ZINC000922258435 654379551 /nfs/dbraw/zinc/37/95/51/654379551.db2.gz GIENDXGXQWSFHE-MFKMUULPSA-N 1 1 394.273 2.391 20 0 GEADMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000922291248 654381857 /nfs/dbraw/zinc/38/18/57/654381857.db2.gz WFDBGQGVMVXLMH-WFASDCNBSA-N 1 1 397.317 2.458 20 0 GEADMO O=C(/C=C/c1ccc(Cl)s1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922346616 654384889 /nfs/dbraw/zinc/38/48/89/654384889.db2.gz KKOAXGDJEOQRGX-CSPWOOARSA-N 1 1 383.945 2.328 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1F ZINC000872664015 654387242 /nfs/dbraw/zinc/38/72/42/654387242.db2.gz HHYAUTZDXCPJCU-OLZOCXBDSA-N 1 1 390.864 2.123 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1F ZINC000872664015 654387243 /nfs/dbraw/zinc/38/72/43/654387243.db2.gz HHYAUTZDXCPJCU-OLZOCXBDSA-N 1 1 390.864 2.123 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1Cl ZINC000872663240 654387252 /nfs/dbraw/zinc/38/72/52/654387252.db2.gz JNPZOPLIVDRCCI-HUUCEWRRSA-N 1 1 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ZINC000181782010 532306696 /nfs/dbraw/zinc/30/66/96/532306696.db2.gz QRKSQBLDEIVMFB-WMZOPIPTSA-N 1 1 383.897 2.455 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000151147016 532307326 /nfs/dbraw/zinc/30/73/26/532307326.db2.gz RXJDQXFLWULVJB-CZUORRHYSA-N 1 1 396.329 2.499 20 0 GEADMO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000151147016 532307328 /nfs/dbraw/zinc/30/73/28/532307328.db2.gz RXJDQXFLWULVJB-CZUORRHYSA-N 1 1 396.329 2.499 20 0 GEADMO COc1cc(Br)ccc1CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000181892208 532307461 /nfs/dbraw/zinc/30/74/61/532307461.db2.gz CONFUGYBYSTIIH-AWEZNQCLSA-N 1 1 391.331 2.014 20 0 GEADMO COc1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc(OC)c1Br ZINC000182511989 532314629 /nfs/dbraw/zinc/31/46/29/532314629.db2.gz XDWCGEKFRAAADC-NSHDSACASA-N 1 1 386.290 2.041 20 0 GEADMO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000182659204 532315829 /nfs/dbraw/zinc/31/58/29/532315829.db2.gz BOTFPGONIGRKOD-LSDHHAIUSA-N 1 1 379.931 2.059 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000182651932 532316097 /nfs/dbraw/zinc/31/60/97/532316097.db2.gz LKTURIWRBBWWHC-UWVGGRQHSA-N 1 1 378.288 2.304 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182768082 532317603 /nfs/dbraw/zinc/31/76/03/532317603.db2.gz LKUOKHQTMANKKJ-CYBMUJFWSA-N 1 1 383.290 2.082 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000182792581 532318014 /nfs/dbraw/zinc/31/80/14/532318014.db2.gz AUZOCLGWUREIFK-CQSZACIVSA-N 1 1 397.313 2.396 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000182792581 532318016 /nfs/dbraw/zinc/31/80/16/532318016.db2.gz AUZOCLGWUREIFK-CQSZACIVSA-N 1 1 397.313 2.396 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182959577 532319954 /nfs/dbraw/zinc/31/99/54/532319954.db2.gz QVYHFGVJSLQGFK-OAHLLOKOSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182959577 532319957 /nfs/dbraw/zinc/31/99/57/532319957.db2.gz QVYHFGVJSLQGFK-OAHLLOKOSA-N 1 1 390.355 2.302 20 0 GEADMO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)s1 ZINC000183139007 532321607 /nfs/dbraw/zinc/32/16/07/532321607.db2.gz CVWXHRVKZIEBJJ-HWRSSNJWSA-N 1 1 380.539 2.385 20 0 GEADMO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)s1 ZINC000183138992 532321860 /nfs/dbraw/zinc/32/18/60/532321860.db2.gz CVWXHRVKZIEBJJ-PWECECGKSA-N 1 1 380.539 2.385 20 0 GEADMO O=C(CC[N@H+]1CCO[C@@]2(CCOC2)C1)Nc1ccc(Br)cc1F ZINC000185182707 532337179 /nfs/dbraw/zinc/33/71/79/532337179.db2.gz FBAYJIXIZMQGGP-INIZCTEOSA-N 1 1 387.249 2.408 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000185319552 532337600 /nfs/dbraw/zinc/33/76/00/532337600.db2.gz HZGCGMLEKBGSCL-ZDUSSCGKSA-N 1 1 382.452 2.092 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000185466012 532337853 /nfs/dbraw/zinc/33/78/53/532337853.db2.gz GSBNUQJCRHPLAY-UHFFFAOYSA-N 1 1 396.289 2.071 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000185597227 532338010 /nfs/dbraw/zinc/33/80/10/532338010.db2.gz KGWDZNTWXLMYKD-UHFFFAOYSA-N 1 1 382.675 2.016 20 0 GEADMO C[C@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)[N@@H+](C)C1CC1 ZINC000185953696 532339256 /nfs/dbraw/zinc/33/92/56/532339256.db2.gz NNGISHSAPPBAQL-SNVBAGLBSA-N 1 1 389.315 2.145 20 0 GEADMO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000186249286 532340223 /nfs/dbraw/zinc/34/02/23/532340223.db2.gz ZXSWEDRMASDMAI-SSDOTTSWSA-N 1 1 377.080 2.101 20 0 GEADMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000186249286 532340224 /nfs/dbraw/zinc/34/02/24/532340224.db2.gz ZXSWEDRMASDMAI-SSDOTTSWSA-N 1 1 377.080 2.101 20 0 GEADMO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(Br)n1 ZINC000186719881 532341809 /nfs/dbraw/zinc/34/18/09/532341809.db2.gz KXEWXSYCICZQPD-GFCCVEGCSA-N 1 1 385.306 2.461 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186776861 532341921 /nfs/dbraw/zinc/34/19/21/532341921.db2.gz GYZAFEXYJOAMOJ-CYBMUJFWSA-N 1 1 394.313 2.355 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186938220 532342605 /nfs/dbraw/zinc/34/26/05/532342605.db2.gz QFDOYFCMBHZZJA-NSHDSACASA-N 1 1 382.555 2.341 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186938220 532342606 /nfs/dbraw/zinc/34/26/06/532342606.db2.gz QFDOYFCMBHZZJA-NSHDSACASA-N 1 1 382.555 2.341 20 0 GEADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cnc1Cl ZINC000186922020 532342618 /nfs/dbraw/zinc/34/26/18/532342618.db2.gz WWLYDXFSRJRTQU-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cnc1Cl ZINC000186922020 532342619 /nfs/dbraw/zinc/34/26/19/532342619.db2.gz WWLYDXFSRJRTQU-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183652789 532327182 /nfs/dbraw/zinc/32/71/82/532327182.db2.gz QJYMLBKPBXGXTR-CQSZACIVSA-N 1 1 396.285 2.192 20 0 GEADMO CNC(=O)[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(C)C ZINC000183678826 532328017 /nfs/dbraw/zinc/32/80/17/532328017.db2.gz JRBPHKWZEYYENA-HNNXBMFYSA-N 1 1 381.523 2.074 20 0 GEADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183820128 532329469 /nfs/dbraw/zinc/32/94/69/532329469.db2.gz FBVGJEWXYWDLMD-LLVKDONJSA-N 1 1 384.274 2.136 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000187212768 532343474 /nfs/dbraw/zinc/34/34/74/532343474.db2.gz VJFIDYFOIYJCIF-LLVKDONJSA-N 1 1 384.249 2.142 20 0 GEADMO COc1ccc(CNC(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183917137 532329975 /nfs/dbraw/zinc/32/99/75/532329975.db2.gz DCXVTVQRQVCGCM-QGZVFWFLSA-N 1 1 393.281 2.397 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000183958394 532330553 /nfs/dbraw/zinc/33/05/53/532330553.db2.gz SGMQBQUFTAVODZ-GFCCVEGCSA-N 1 1 375.332 2.360 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000184330341 532332032 /nfs/dbraw/zinc/33/20/32/532332032.db2.gz NONPPDTURNVLOV-HUUCEWRRSA-N 1 1 380.432 2.407 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000184331680 532332063 /nfs/dbraw/zinc/33/20/63/532332063.db2.gz KOITYVKIXLXSNN-SWLSCSKDSA-N 1 1 380.432 2.264 20 0 GEADMO Brc1ccc2nc(CN3CC[C@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000184974778 532336461 /nfs/dbraw/zinc/33/64/61/532336461.db2.gz SAQGMDICVSLIOQ-CYBMUJFWSA-N 1 1 379.302 2.480 20 0 GEADMO C[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000188041220 532346351 /nfs/dbraw/zinc/34/63/51/532346351.db2.gz XMKLENBUVCSYOX-SJCJKPOMSA-N 1 1 390.311 2.437 20 0 GEADMO CC(C)[C@H](CNC(=O)Nc1cccc(Br)n1)N1CC[NH+](C)CC1 ZINC000188494063 532348499 /nfs/dbraw/zinc/34/84/99/532348499.db2.gz RUXIJJOYZGCQMK-ZDUSSCGKSA-N 1 1 384.322 2.238 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc2ccc(Br)cn12 ZINC000188743755 532349426 /nfs/dbraw/zinc/34/94/26/532349426.db2.gz VYNHZZIMUPMPHS-CYBMUJFWSA-N 1 1 381.318 2.374 20 0 GEADMO C[C@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@@H+]1CCO ZINC000188774283 532349621 /nfs/dbraw/zinc/34/96/21/532349621.db2.gz OQCLHKCAKOCLAQ-AWEZNQCLSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@H]1CN(C(=O)CCCOc2ccccc2Br)CC[N@H+]1CCO ZINC000188774283 532349622 /nfs/dbraw/zinc/34/96/22/532349622.db2.gz OQCLHKCAKOCLAQ-AWEZNQCLSA-N 1 1 385.302 2.133 20 0 GEADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1Cl ZINC000188942176 532350448 /nfs/dbraw/zinc/35/04/48/532350448.db2.gz WLJVAUAVUNURSU-LLVKDONJSA-N 1 1 390.709 2.464 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000189422477 532352032 /nfs/dbraw/zinc/35/20/32/532352032.db2.gz HVNKREDASZKHEF-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000189422477 532352033 /nfs/dbraw/zinc/35/20/33/532352033.db2.gz HVNKREDASZKHEF-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[N@@H+]1CCO ZINC000189397021 532352158 /nfs/dbraw/zinc/35/21/58/532352158.db2.gz CABGJPJGSGZUIW-LLVKDONJSA-N 1 1 381.889 2.389 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC[N@H+]1CCO ZINC000189397021 532352159 /nfs/dbraw/zinc/35/21/59/532352159.db2.gz CABGJPJGSGZUIW-LLVKDONJSA-N 1 1 381.889 2.389 20 0 GEADMO O=C(CCOCC(F)F)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000189509235 532352519 /nfs/dbraw/zinc/35/25/19/532352519.db2.gz OVQSPJWFFPYSOC-UHFFFAOYSA-N 1 1 375.847 2.250 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C)C1 ZINC000189547600 532352627 /nfs/dbraw/zinc/35/26/27/532352627.db2.gz KTRCYOZSFLDRGR-QWHCGFSZSA-N 1 1 395.301 2.386 20 0 GEADMO Cc1cc(N2CCC(NS(=O)(=O)CCc3cccs3)CC2)nc(C)[nH+]1 ZINC000189699934 532353280 /nfs/dbraw/zinc/35/32/80/532353280.db2.gz YNPPEKARWGUASM-UHFFFAOYSA-N 1 1 380.539 2.286 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000189735943 532353447 /nfs/dbraw/zinc/35/34/47/532353447.db2.gz WYVDTWOLHAQIKO-AWEZNQCLSA-N 1 1 385.302 2.133 20 0 GEADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000189755995 532353547 /nfs/dbraw/zinc/35/35/47/532353547.db2.gz VTCYDTPBCWTOCH-UHFFFAOYSA-N 1 1 375.296 2.425 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC1(O)CCOCC1 ZINC000189748802 532353627 /nfs/dbraw/zinc/35/36/27/532353627.db2.gz JISIBKCJXJUDTK-UHFFFAOYSA-N 1 1 389.265 2.390 20 0 GEADMO C[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@H+]1CC(C)(C)O ZINC000189877058 532353933 /nfs/dbraw/zinc/35/39/33/532353933.db2.gz RUUIYNMJSDEWIV-CYBMUJFWSA-N 1 1 384.318 2.165 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1Br ZINC000190090891 532354796 /nfs/dbraw/zinc/35/47/96/532354796.db2.gz RBEMEYWDAKDKAC-STQMWFEESA-N 1 1 380.286 2.391 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000190439809 532356164 /nfs/dbraw/zinc/35/61/64/532356164.db2.gz UIAAYLCWNKIDEF-ZDUSSCGKSA-N 1 1 376.906 2.080 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000190439809 532356165 /nfs/dbraw/zinc/35/61/65/532356165.db2.gz UIAAYLCWNKIDEF-ZDUSSCGKSA-N 1 1 376.906 2.080 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000190634995 532357138 /nfs/dbraw/zinc/35/71/38/532357138.db2.gz AGBCDRRTJPJIEM-KBPBESRZSA-N 1 1 390.933 2.374 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000190643199 532357288 /nfs/dbraw/zinc/35/72/88/532357288.db2.gz IDWTWIGEFNZESN-DZGCQCFKSA-N 1 1 388.917 2.222 20 0 GEADMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000191170383 532359717 /nfs/dbraw/zinc/35/97/17/532359717.db2.gz VCXNFUGRENVFFB-UOJCXKCYSA-N 1 1 398.297 2.462 20 0 GEADMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000191170383 532359718 /nfs/dbraw/zinc/35/97/18/532359718.db2.gz VCXNFUGRENVFFB-UOJCXKCYSA-N 1 1 398.297 2.462 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000191141830 532359833 /nfs/dbraw/zinc/35/98/33/532359833.db2.gz RMLCXVROQXYRAV-UHFFFAOYSA-N 1 1 390.228 2.220 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)c1ccccc1Br ZINC000187375819 532344180 /nfs/dbraw/zinc/34/41/80/532344180.db2.gz CATKEUVHTMPWSF-UHFFFAOYSA-N 1 1 386.334 2.340 20 0 GEADMO C[C@@H](C[S@@](C)=O)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187412206 532344372 /nfs/dbraw/zinc/34/43/72/532344372.db2.gz WMPPRQQZYRCNQH-JVQKCWSZSA-N 1 1 379.448 2.374 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc(I)cc1 ZINC000187421499 532344473 /nfs/dbraw/zinc/34/44/73/532344473.db2.gz RXEDBAIYHFHMNB-UHFFFAOYSA-N 1 1 389.237 2.135 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2nnc(C(F)(F)F)s2)C1 ZINC000187420111 532344505 /nfs/dbraw/zinc/34/45/05/532344505.db2.gz BWZMZOVOPPOGNH-JTQLQIEISA-N 1 1 398.476 2.122 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000187593258 532344948 /nfs/dbraw/zinc/34/49/48/532344948.db2.gz FRLGUILLDTYSIV-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000463426843 532372597 /nfs/dbraw/zinc/37/25/97/532372597.db2.gz RLUFVAFNPWVMPZ-AWEZNQCLSA-N 1 1 375.332 2.205 20 0 GEADMO 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O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630405032 532515767 /nfs/dbraw/zinc/51/57/67/532515767.db2.gz KVUJZFMNAAWPKV-IXDOHACOSA-N 1 1 379.298 2.173 20 0 GEADMO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594640363 532517334 /nfs/dbraw/zinc/51/73/34/532517334.db2.gz FHPGOTGIWKKIQW-MRXNPFEDSA-N 1 1 394.313 2.170 20 0 GEADMO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1Br ZINC000521620873 532517384 /nfs/dbraw/zinc/51/73/84/532517384.db2.gz SRFVCYKCDCSEHA-CQSZACIVSA-N 1 1 377.242 2.040 20 0 GEADMO CCCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)Nc1cc(C)on1 ZINC000469245856 532497760 /nfs/dbraw/zinc/49/77/60/532497760.db2.gz MLOVJEDEBBHASA-CYBMUJFWSA-N 1 1 385.511 2.735 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000651857411 532498621 /nfs/dbraw/zinc/49/86/21/532498621.db2.gz ARZOJWYLNCDKKD-GFCCVEGCSA-N 1 1 389.315 2.274 20 0 GEADMO O=C1CCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)N1 ZINC000685845444 532499207 /nfs/dbraw/zinc/49/92/07/532499207.db2.gz VAMSNLYKJGQJCF-QMMMGPOBSA-N 1 1 377.080 2.365 20 0 GEADMO C[C@H](NCc1c(Br)cncc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000685842166 532499425 /nfs/dbraw/zinc/49/94/25/532499425.db2.gz IMIRNCHGLPQXCH-ZANVPECISA-N 1 1 393.123 2.415 20 0 GEADMO C[C@H](NCc1c(Br)cncc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000685842166 532499431 /nfs/dbraw/zinc/49/94/31/532499431.db2.gz IMIRNCHGLPQXCH-ZANVPECISA-N 1 1 393.123 2.415 20 0 GEADMO C[C@H]([NH2+]Cc1c(Br)cncc1Br)[C@@H]1CN(C)CCO1 ZINC000685842166 532499436 /nfs/dbraw/zinc/49/94/36/532499436.db2.gz IMIRNCHGLPQXCH-ZANVPECISA-N 1 1 393.123 2.415 20 0 GEADMO C[C@H]1COCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000374366798 532499423 /nfs/dbraw/zinc/49/94/23/532499423.db2.gz VYQDPQAENSHRAZ-CYBMUJFWSA-N 1 1 387.311 2.005 20 0 GEADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000685839282 532499493 /nfs/dbraw/zinc/49/94/93/532499493.db2.gz DIFHHKUFVOBMOA-UHFFFAOYSA-N 1 1 377.297 2.177 20 0 GEADMO COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000563364519 532501341 /nfs/dbraw/zinc/50/13/41/532501341.db2.gz OGBIIJMFKUDISU-DLBZAZTESA-N 1 1 397.313 2.460 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(Cl)ccc1Br ZINC000593898070 532501337 /nfs/dbraw/zinc/50/13/37/532501337.db2.gz NBFMYQZKKQFAQK-CYBMUJFWSA-N 1 1 388.693 2.172 20 0 GEADMO CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000593896901 532501570 /nfs/dbraw/zinc/50/15/70/532501570.db2.gz SMWDFXMRRKMHSR-OAHLLOKOSA-N 1 1 396.329 2.183 20 0 GEADMO Cc1ccc(CC(=O)NCCCCN2CC[NH+](C)CC2)cc1Br ZINC000525864884 532536450 /nfs/dbraw/zinc/53/64/50/532536450.db2.gz SYABDUQVGHULGP-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000296721589 532536560 /nfs/dbraw/zinc/53/65/60/532536560.db2.gz FJCYFQSYOOFHAA-RYUDHWBXSA-N 1 1 379.262 2.240 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2sc(C)nc2C)[C@@H](C)C1 ZINC000246492570 532539631 /nfs/dbraw/zinc/53/96/31/532539631.db2.gz MJMXUWCHDHTGMS-SWLSCSKDSA-N 1 1 375.560 2.175 20 0 GEADMO CC(C)[C@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)[NH+]1CCOCC1 ZINC000296771163 532540298 /nfs/dbraw/zinc/54/02/98/532540298.db2.gz FVNQQQYIBODHHR-RYUDHWBXSA-N 1 1 380.436 2.403 20 0 GEADMO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ncc(Br)cc1Cl)CC2 ZINC000631088993 532542765 /nfs/dbraw/zinc/54/27/65/532542765.db2.gz RWKWRVILLMIYFF-SNVBAGLBSA-N 1 1 386.681 2.340 20 0 GEADMO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)ccc1Cl ZINC000631091075 532543150 /nfs/dbraw/zinc/54/31/50/532543150.db2.gz KDVXSCYAEAAOCJ-HNNXBMFYSA-N 1 1 385.917 2.011 20 0 GEADMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000471147029 532543547 /nfs/dbraw/zinc/54/35/47/532543547.db2.gz ILZZANNHPGIWRG-JTQLQIEISA-N 1 1 380.297 2.075 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000470091292 532519709 /nfs/dbraw/zinc/51/97/09/532519709.db2.gz QBWKVNYYDQURGS-JTQLQIEISA-N 1 1 377.229 2.256 20 0 GEADMO C[C@H]1C[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C[N@@H+]1C1CC1 ZINC000522046915 532522051 /nfs/dbraw/zinc/52/20/51/532522051.db2.gz MQNVZKKKPBORJA-IUCAKERBSA-N 1 1 392.294 2.273 20 0 GEADMO C[C@H]1C[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C[N@H+]1C1CC1 ZINC000522046915 532522057 /nfs/dbraw/zinc/52/20/57/532522057.db2.gz MQNVZKKKPBORJA-IUCAKERBSA-N 1 1 392.294 2.273 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000283174576 532523624 /nfs/dbraw/zinc/52/36/24/532523624.db2.gz XMEJFXNUUXVNMU-JTQLQIEISA-N 1 1 393.962 2.289 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000470275943 532523936 /nfs/dbraw/zinc/52/39/36/532523936.db2.gz PNWKOWGIDNVPFQ-UHFFFAOYSA-N 1 1 397.317 2.086 20 0 GEADMO O=C(CCc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000374941070 532524644 /nfs/dbraw/zinc/52/46/44/532524644.db2.gz BEHTYMYPHPNTJU-HNNXBMFYSA-N 1 1 385.277 2.454 20 0 GEADMO C[C@@H](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000652893468 532524803 /nfs/dbraw/zinc/52/48/03/532524803.db2.gz KKVUQKQQTOIUSI-SMDDNHRTSA-N 1 1 385.277 2.359 20 0 GEADMO C[C@@H](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000652893468 532524806 /nfs/dbraw/zinc/52/48/06/532524806.db2.gz KKVUQKQQTOIUSI-SMDDNHRTSA-N 1 1 385.277 2.359 20 0 GEADMO O=C(NCCn1cc(Br)cn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564481336 532524764 /nfs/dbraw/zinc/52/47/64/532524764.db2.gz CVXQHFMNAYMIKX-INIZCTEOSA-N 1 1 392.301 2.219 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432004676 532525925 /nfs/dbraw/zinc/52/59/25/532525925.db2.gz CBGSDWKAYUXLCT-UHFFFAOYSA-N 1 1 395.301 2.333 20 0 GEADMO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652886100 532526333 /nfs/dbraw/zinc/52/63/33/532526333.db2.gz XCHJXUPKFXYBOO-SNVBAGLBSA-N 1 1 379.671 2.303 20 0 GEADMO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652886100 532526337 /nfs/dbraw/zinc/52/63/37/532526337.db2.gz XCHJXUPKFXYBOO-SNVBAGLBSA-N 1 1 379.671 2.303 20 0 GEADMO Cn1cc(-c2ccc(C[N@H+]3CC[C@H](S(=O)(=O)N4CCCC4)C3)s2)cn1 ZINC000375001029 532526758 /nfs/dbraw/zinc/52/67/58/532526758.db2.gz MEULQDILOALFFY-INIZCTEOSA-N 1 1 380.539 2.149 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(I)o3)C[C@@H]21 ZINC000375025154 532528134 /nfs/dbraw/zinc/52/81/34/532528134.db2.gz YTGWKQLWUZAMKS-JZLDWQBISA-N 1 1 386.233 2.450 20 0 GEADMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Br)c1 ZINC000524048581 532528766 /nfs/dbraw/zinc/52/87/66/532528766.db2.gz RMOFCCPNXUAWBS-LSDHHAIUSA-N 1 1 396.285 2.139 20 0 GEADMO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000564746362 532530841 /nfs/dbraw/zinc/53/08/41/532530841.db2.gz GXQFWFFVMBMGTQ-MRXNPFEDSA-N 1 1 383.583 2.223 20 0 GEADMO COc1ccc(I)c(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000296593662 532530931 /nfs/dbraw/zinc/53/09/31/532530931.db2.gz XIUAUWVVGSYKOQ-JTQLQIEISA-N 1 1 389.237 2.373 20 0 GEADMO [NH3+]CC(F)(F)CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000653112942 532532604 /nfs/dbraw/zinc/53/26/04/532532604.db2.gz NJBILMXUEXBOSV-LLVKDONJSA-N 1 1 376.245 2.376 20 0 GEADMO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)nc12 ZINC000564825513 532533030 /nfs/dbraw/zinc/53/30/30/532533030.db2.gz MJVNFCUAEHZHMO-HOTGVXAUSA-N 1 1 379.302 2.262 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1=O ZINC000654018686 532545636 /nfs/dbraw/zinc/54/56/36/532545636.db2.gz KDODFCNCKXTMOU-GXTWGEPZSA-N 1 1 383.290 2.286 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2nn(C)cc2Br)CC1 ZINC000432937259 532550073 /nfs/dbraw/zinc/55/00/73/532550073.db2.gz GYWKEZMOHRAHGW-GASCZTMLSA-N 1 1 384.366 2.173 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)c1 ZINC000471500742 532550908 /nfs/dbraw/zinc/55/09/08/532550908.db2.gz TWELGAXYJVOCLR-UHFFFAOYSA-N 1 1 377.809 2.293 20 0 GEADMO Cc1c(Br)cccc1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000565178867 532552458 /nfs/dbraw/zinc/55/24/58/532552458.db2.gz KCDFNXHRLJVMCR-OLZOCXBDSA-N 1 1 384.318 2.354 20 0 GEADMO C[C@H](OCC1CC1)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000654156917 532552515 /nfs/dbraw/zinc/55/25/15/532552515.db2.gz IUXKVBSPSCDFIO-LBPRGKRZSA-N 1 1 397.317 2.350 20 0 GEADMO Cc1nc(-c2ccc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)s2)cs1 ZINC000631269562 532552891 /nfs/dbraw/zinc/55/28/91/532552891.db2.gz RRIDISKGTLUMKE-UHFFFAOYSA-N 1 1 378.523 2.074 20 0 GEADMO O=C(CNC(=O)c1cccc(Br)c1)NCc1c[nH+]c2n1CCCC2 ZINC000375381451 532552884 /nfs/dbraw/zinc/55/28/84/532552884.db2.gz SQBXKQBVWZXTID-UHFFFAOYSA-N 1 1 391.269 2.028 20 0 GEADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000595660820 532569746 /nfs/dbraw/zinc/56/97/46/532569746.db2.gz GILYRGUHTCHCCJ-DDTOSNHZSA-N 1 1 385.258 2.005 20 0 GEADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000527822047 532554713 /nfs/dbraw/zinc/55/47/13/532554713.db2.gz PZYJFBXLQKWHOT-UHFFFAOYSA-N 1 1 381.263 2.483 20 0 GEADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000654252332 532555329 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532825878 /nfs/dbraw/zinc/82/58/78/532825878.db2.gz UUOYSFFEAARSMM-RYUDHWBXSA-N 1 1 377.432 2.263 20 0 GEADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000288293198 532823998 /nfs/dbraw/zinc/82/39/98/532823998.db2.gz HSLUPXWIPKRRDX-UHFFFAOYSA-N 1 1 399.925 2.005 20 0 GEADMO CCc1ncc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000414447611 532827594 /nfs/dbraw/zinc/82/75/94/532827594.db2.gz LGYCGBHTWRNJRQ-UHFFFAOYSA-N 1 1 396.232 2.372 20 0 GEADMO COC(C[N@@H+](CCCO)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)OC ZINC000273664901 532830196 /nfs/dbraw/zinc/83/01/96/532830196.db2.gz YIMOVBOZCGXINX-RHSMWYFYSA-N 1 1 375.893 2.082 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccncc1I ZINC000273669817 532830281 /nfs/dbraw/zinc/83/02/81/532830281.db2.gz DLVICIFTPUXHBX-UHFFFAOYSA-N 1 1 385.209 2.403 20 0 GEADMO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000330930410 532830552 /nfs/dbraw/zinc/83/05/52/532830552.db2.gz ZVDCHTJNKCINHA-NSHDSACASA-N 1 1 376.320 2.028 20 0 GEADMO C[NH+](C)CCN(C(=O)CSc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000273684782 532831200 /nfs/dbraw/zinc/83/12/00/532831200.db2.gz ZHHXQFYKGVKNSK-ZDUSSCGKSA-N 1 1 390.958 2.009 20 0 GEADMO C[NH2+]C[C@@H](C)CNCc1cc(I)c(OC)c(OC)c1 ZINC000414837608 532835729 /nfs/dbraw/zinc/83/57/29/532835729.db2.gz KNMDLYWVBFYFCP-SNVBAGLBSA-N 1 1 378.254 2.254 20 0 GEADMO COc1cc(CNC[C@H]2C[NH2+]CCO2)cc(Br)c1OC(F)F ZINC000415090677 532837684 /nfs/dbraw/zinc/83/76/84/532837684.db2.gz AZKUHLZRGIPBMT-SNVBAGLBSA-N 1 1 381.217 2.137 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCCn1cc(Br)cn1 ZINC000288806969 532838557 /nfs/dbraw/zinc/83/85/57/532838557.db2.gz JRNHDFNZKIFIKE-UHFFFAOYSA-N 1 1 383.294 2.272 20 0 GEADMO O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000359870511 209197888 /nfs/dbraw/zinc/19/78/88/209197888.db2.gz MDCFSLRKNMFMNR-CQSZACIVSA-N 1 1 386.418 2.233 20 0 GEADMO NC(=O)NCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000359938474 209205239 /nfs/dbraw/zinc/20/52/39/209205239.db2.gz VEEZXSWGKDLNST-IBGZPJMESA-N 1 1 380.492 2.149 20 0 GEADMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000288830140 532839558 /nfs/dbraw/zinc/83/95/58/532839558.db2.gz OOUZRLMBXPUNGQ-UHFFFAOYSA-N 1 1 393.290 2.071 20 0 GEADMO CN(CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)CC[NH+](C)C ZINC000288830140 532839560 /nfs/dbraw/zinc/83/95/60/532839560.db2.gz OOUZRLMBXPUNGQ-UHFFFAOYSA-N 1 1 393.290 2.071 20 0 GEADMO CC[NH+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186637463 209137488 /nfs/dbraw/zinc/13/74/88/209137488.db2.gz RVIIKXJJQGZIEM-LJQANCHMSA-N 1 1 387.524 2.296 20 0 GEADMO CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000186637463 209137477 /nfs/dbraw/zinc/13/74/77/209137477.db2.gz RVIIKXJJQGZIEM-LJQANCHMSA-N 1 1 387.524 2.296 20 0 GEADMO CC[NH+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000186637463 209137482 /nfs/dbraw/zinc/13/74/82/209137482.db2.gz RVIIKXJJQGZIEM-LJQANCHMSA-N 1 1 387.524 2.296 20 0 GEADMO C[NH+](C)C[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000331677110 532842153 /nfs/dbraw/zinc/84/21/53/532842153.db2.gz ZZKYVNISUAWYLC-SNVBAGLBSA-N 1 1 398.248 2.191 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000288989245 532843693 /nfs/dbraw/zinc/84/36/93/532843693.db2.gz RWHUBLVZCCTFNK-WFASDCNBSA-N 1 1 394.313 2.149 20 0 GEADMO C[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000331865665 532845863 /nfs/dbraw/zinc/84/58/63/532845863.db2.gz BXWQWDCUFSJOPL-NEPJUHHUSA-N 1 1 380.290 2.342 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000331914462 532846699 /nfs/dbraw/zinc/84/66/99/532846699.db2.gz NKFLGBVYGBTFQN-NEPJUHHUSA-N 1 1 378.274 2.194 20 0 GEADMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@@H]2C1 ZINC000332248476 532850511 /nfs/dbraw/zinc/85/05/11/532850511.db2.gz XICGDDSTEPPBEP-NEPJUHHUSA-N 1 1 396.843 2.035 20 0 GEADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@@H]2C1 ZINC000332248476 532850515 /nfs/dbraw/zinc/85/05/15/532850515.db2.gz XICGDDSTEPPBEP-NEPJUHHUSA-N 1 1 396.843 2.035 20 0 GEADMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@H]2C1 ZINC000332248477 532850605 /nfs/dbraw/zinc/85/06/05/532850605.db2.gz XICGDDSTEPPBEP-NWDGAFQWSA-N 1 1 396.843 2.035 20 0 GEADMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@H]2C1 ZINC000332248477 532850607 /nfs/dbraw/zinc/85/06/07/532850607.db2.gz XICGDDSTEPPBEP-NWDGAFQWSA-N 1 1 396.843 2.035 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000274455195 532850639 /nfs/dbraw/zinc/85/06/39/532850639.db2.gz WVCSIKQKGKUIDH-CQSZACIVSA-N 1 1 377.388 2.416 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415616519 532851375 /nfs/dbraw/zinc/85/13/75/532851375.db2.gz TYCJMRFHAFSPFM-UHFFFAOYSA-N 1 1 388.827 2.036 20 0 GEADMO COc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(Br)c1 ZINC000289370555 532853398 /nfs/dbraw/zinc/85/33/98/532853398.db2.gz LJEQBFTXVHOFAN-UHFFFAOYSA-N 1 1 391.331 2.219 20 0 GEADMO CN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)C1=O ZINC000274660986 532853692 /nfs/dbraw/zinc/85/36/92/532853692.db2.gz NIDYUGQOZCHIIV-LLVKDONJSA-N 1 1 391.107 2.456 20 0 GEADMO CN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)C1=O ZINC000274660986 532853695 /nfs/dbraw/zinc/85/36/95/532853695.db2.gz NIDYUGQOZCHIIV-LLVKDONJSA-N 1 1 391.107 2.456 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1csc(Br)c1 ZINC000274704385 532854514 /nfs/dbraw/zinc/85/45/14/532854514.db2.gz ZJRZHMCRVYJQQX-LBPRGKRZSA-N 1 1 389.363 2.336 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289407239 532854197 /nfs/dbraw/zinc/85/41/97/532854197.db2.gz UJHDFLQCJGRQRC-HOTGVXAUSA-N 1 1 385.302 2.050 20 0 GEADMO CN1CCN(CCC[N@H+](C)Cc2cccc(I)c2)CC1 ZINC000289423298 532854222 /nfs/dbraw/zinc/85/42/22/532854222.db2.gz JKWUGJNVCSBLME-UHFFFAOYSA-N 1 1 387.309 2.361 20 0 GEADMO CN1CCN(CCC[N@@H+](C)Cc2cccc(I)c2)CC1 ZINC000289423298 532854227 /nfs/dbraw/zinc/85/42/27/532854227.db2.gz JKWUGJNVCSBLME-UHFFFAOYSA-N 1 1 387.309 2.361 20 0 GEADMO CCOC(=O)CSc1nnc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)s1 ZINC000289458343 532855730 /nfs/dbraw/zinc/85/57/30/532855730.db2.gz LTBPZMFAJSNWDG-HNNXBMFYSA-N 1 1 390.506 2.344 20 0 GEADMO CCOC(=O)CSc1nnc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)s1 ZINC000289458343 532855732 /nfs/dbraw/zinc/85/57/32/532855732.db2.gz LTBPZMFAJSNWDG-HNNXBMFYSA-N 1 1 390.506 2.344 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000332489674 532856303 /nfs/dbraw/zinc/85/63/03/532856303.db2.gz ACGOZONCXCYCAW-QWHCGFSZSA-N 1 1 395.297 2.138 20 0 GEADMO Cc1c(Cl)cc(F)c(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1F ZINC000332589228 532857256 /nfs/dbraw/zinc/85/72/56/532857256.db2.gz DLPXUXPCOZJSDM-INIZCTEOSA-N 1 1 377.819 2.131 20 0 GEADMO C[C@@H]1C[NH+](CCCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H](C)O1 ZINC000332600555 532857730 /nfs/dbraw/zinc/85/77/30/532857730.db2.gz KSJUOEYLKWPMSG-CHWSQXEVSA-N 1 1 378.897 2.398 20 0 GEADMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cnc2ccc(Br)cn12 ZINC000289540339 532857787 /nfs/dbraw/zinc/85/77/87/532857787.db2.gz IAAHXILHBSWZCZ-UKRRQHHQSA-N 1 1 379.302 2.392 20 0 GEADMO COc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc(Br)c1OC(F)F ZINC000289537922 532857920 /nfs/dbraw/zinc/85/79/20/532857920.db2.gz HXUIHIINAYSRCH-GHMZBOCLSA-N 1 1 382.201 2.251 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000332600558 532857972 /nfs/dbraw/zinc/85/79/72/532857972.db2.gz KSKJIPMMWRVCQV-IUODEOHRSA-N 1 1 382.302 2.168 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605587 532860547 /nfs/dbraw/zinc/86/05/47/532860547.db2.gz KZSJDLLAQFAHFX-SJKOYZFVSA-N 1 1 396.285 2.410 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC000332694707 532860647 /nfs/dbraw/zinc/86/06/47/532860647.db2.gz VRINNWMXEHVHGT-XNRPHZJLSA-N 1 1 394.313 2.401 20 0 GEADMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nc2ccccn2c1Br ZINC000289653010 532862017 /nfs/dbraw/zinc/86/20/17/532862017.db2.gz MWPPGRVUZAYUEP-KGLIPLIRSA-N 1 1 379.302 2.392 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000275037989 532862285 /nfs/dbraw/zinc/86/22/85/532862285.db2.gz QQBIMYAPAXEDCB-WFASDCNBSA-N 1 1 380.286 2.249 20 0 GEADMO O=C(Nc1cncc(Br)c1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333077186 532863804 /nfs/dbraw/zinc/86/38/04/532863804.db2.gz ACKQNWSGMUPGFP-UHFFFAOYSA-N 1 1 382.306 2.182 20 0 GEADMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000275124825 532865541 /nfs/dbraw/zinc/86/55/41/532865541.db2.gz QFJKMKCTAPZSOT-AAEUAGOBSA-N 1 1 380.794 2.080 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275139101 532866146 /nfs/dbraw/zinc/86/61/46/532866146.db2.gz URUCGDYOXUUZNU-ZJUUUORDSA-N 1 1 378.782 2.062 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275139101 532866149 /nfs/dbraw/zinc/86/61/49/532866149.db2.gz URUCGDYOXUUZNU-ZJUUUORDSA-N 1 1 378.782 2.062 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(Br)cc4c3O)[C@@H]2C1 ZINC000333354818 532867398 /nfs/dbraw/zinc/86/73/98/532867398.db2.gz SGNURMVYWWRHIL-MEDUHNTESA-N 1 1 390.281 2.457 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCc1cc(Br)cs1 ZINC000416297445 532869362 /nfs/dbraw/zinc/86/93/62/532869362.db2.gz PSGKJSMBOUKQLA-VXGBXAGGSA-N 1 1 375.332 2.357 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416297620 532869424 /nfs/dbraw/zinc/86/94/24/532869424.db2.gz PVIGESDGXXMFLQ-RRFJBIMHSA-N 1 1 399.329 2.438 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416297620 532869425 /nfs/dbraw/zinc/86/94/25/532869425.db2.gz PVIGESDGXXMFLQ-RRFJBIMHSA-N 1 1 399.329 2.438 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000416302002 532870127 /nfs/dbraw/zinc/87/01/27/532870127.db2.gz WBSDAGVTMCBPPK-NWDGAFQWSA-N 1 1 377.432 2.263 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000416302002 532870128 /nfs/dbraw/zinc/87/01/28/532870128.db2.gz 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380.286 2.250 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3c(F)cccc3Br)C2)C1 ZINC000293293947 532924768 /nfs/dbraw/zinc/92/47/68/532924768.db2.gz SDJNBFXJXJUSII-MRXNPFEDSA-N 1 1 384.249 2.081 20 0 GEADMO NC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000367702634 532926360 /nfs/dbraw/zinc/92/63/60/532926360.db2.gz HSRHFPJLGRETOD-MRVPVSSYSA-N 1 1 391.107 2.491 20 0 GEADMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000367702634 532926362 /nfs/dbraw/zinc/92/63/62/532926362.db2.gz HSRHFPJLGRETOD-MRVPVSSYSA-N 1 1 391.107 2.491 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1CC1 ZINC000293465155 532927202 /nfs/dbraw/zinc/92/72/02/532927202.db2.gz RAUNINZZQNRDKF-UHFFFAOYSA-N 1 1 379.766 2.388 20 0 GEADMO C[C@@H](CO)[N@@H+]1CCCN(c2cc(Br)cnc2Br)CC1 ZINC000367825935 532927862 /nfs/dbraw/zinc/92/78/62/532927862.db2.gz MECRUKOFSJUVFT-JTQLQIEISA-N 1 1 393.123 2.500 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(c2cc(Br)cnc2Br)CC1 ZINC000367825935 532927864 /nfs/dbraw/zinc/92/78/64/532927864.db2.gz MECRUKOFSJUVFT-JTQLQIEISA-N 1 1 393.123 2.500 20 0 GEADMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000367972321 532929066 /nfs/dbraw/zinc/92/90/66/532929066.db2.gz KRAUEUHOMNVCDP-MLGOLLRUSA-N 1 1 385.277 2.452 20 0 GEADMO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368006822 532929233 /nfs/dbraw/zinc/92/92/33/532929233.db2.gz OMZQEWZETCXPNG-GZMMTYOYSA-N 1 1 380.222 2.177 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000293635670 532929644 /nfs/dbraw/zinc/92/96/44/532929644.db2.gz YGEZCTYUEZRJSC-DOMZBBRYSA-N 1 1 377.286 2.433 20 0 GEADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000368177814 532930563 /nfs/dbraw/zinc/93/05/63/532930563.db2.gz GCDMHEPRBMENAX-AWEZNQCLSA-N 1 1 391.331 2.014 20 0 GEADMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@H+](C2CCC2)C1 ZINC000293726178 532930643 /nfs/dbraw/zinc/93/06/43/532930643.db2.gz QACQROFWENBXGM-LBPRGKRZSA-N 1 1 398.301 2.105 20 0 GEADMO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000368207780 532930767 /nfs/dbraw/zinc/93/07/67/532930767.db2.gz GGTYAKZYLRFTIQ-GFCCVEGCSA-N 1 1 381.278 2.006 20 0 GEADMO CN(C)c1cc(Br)cc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000293786209 532931487 /nfs/dbraw/zinc/93/14/87/532931487.db2.gz ZVDRMWJHTDVBHR-UHFFFAOYSA-N 1 1 397.361 2.225 20 0 GEADMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]12 ZINC000368340854 532931685 /nfs/dbraw/zinc/93/16/85/532931685.db2.gz MYWALGJDKHCBFC-ZYHUDNBSSA-N 1 1 390.237 2.199 20 0 GEADMO Cn1nc(Br)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000293896112 532933045 /nfs/dbraw/zinc/93/30/45/532933045.db2.gz FCERATVKPQKAET-INIZCTEOSA-N 1 1 392.301 2.110 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)CCCCCCS(N)(=O)=O)c1ccccc1Cl ZINC000293994191 532934312 /nfs/dbraw/zinc/93/43/12/532934312.db2.gz YHWQGVFFQAIJIE-MRXNPFEDSA-N 1 1 389.949 2.298 20 0 GEADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncncc1Br ZINC000368800919 532934564 /nfs/dbraw/zinc/93/45/64/532934564.db2.gz 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CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279134 532937896 /nfs/dbraw/zinc/93/78/96/532937896.db2.gz VUHGHFJOIZKSQY-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279134 532937898 /nfs/dbraw/zinc/93/78/98/532937898.db2.gz VUHGHFJOIZKSQY-ZDUSSCGKSA-N 1 1 384.293 2.487 20 0 GEADMO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000370499862 532943797 /nfs/dbraw/zinc/94/37/97/532943797.db2.gz OJRXOVCRVCGFKK-JHJVBQTASA-N 1 1 399.333 2.448 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000370461412 532943465 /nfs/dbraw/zinc/94/34/65/532943465.db2.gz DDJDLSGZXZPAQP-BLLLJJGKSA-N 1 1 396.333 2.475 20 0 GEADMO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccnc3Br)CCC[N@H+]2C)cn1 ZINC000370473914 532943659 /nfs/dbraw/zinc/94/36/59/532943659.db2.gz TWVQVCLPWZVORG-IUODEOHRSA-N 1 1 392.301 2.391 20 0 GEADMO CN1C(=O)CSC12CC[NH+](C[C@H](O)c1cccc(Br)c1)CC2 ZINC000369911455 532941213 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GEADMO CS(=O)(=O)c1csc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000371367305 532947678 /nfs/dbraw/zinc/94/76/78/532947678.db2.gz XBSJZQYZQHOIBE-QLPKVWCKSA-N 1 1 376.503 2.012 20 0 GEADMO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000371398442 532947788 /nfs/dbraw/zinc/94/77/88/532947788.db2.gz STNADUWKIATMBG-DJSGYFEHSA-N 1 1 387.249 2.042 20 0 GEADMO CNS(=O)(=O)[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000371454191 532948210 /nfs/dbraw/zinc/94/82/10/532948210.db2.gz FRCBNMYECOUSOA-ZDUSSCGKSA-N 1 1 377.293 2.393 20 0 GEADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000371454191 532948211 /nfs/dbraw/zinc/94/82/11/532948211.db2.gz FRCBNMYECOUSOA-ZDUSSCGKSA-N 1 1 377.293 2.393 20 0 GEADMO O=C(CNC(=O)c1ccc(Br)s1)N1CCC(c2cnc[nH]2)CC1 ZINC000371172890 532947145 /nfs/dbraw/zinc/94/71/45/532947145.db2.gz CTZRDVOMOUNSAO-UHFFFAOYSA-N 1 1 397.298 2.370 20 0 GEADMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000371854273 532949687 /nfs/dbraw/zinc/94/96/87/532949687.db2.gz WKPHAWLOOZGTJO-OAHLLOKOSA-N 1 1 382.917 2.359 20 0 GEADMO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000275356255 570691200 /nfs/dbraw/zinc/69/12/00/570691200.db2.gz ANLGMRFDRTZSEF-IRLDBZIGSA-N 1 1 381.524 2.037 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000738388294 598833738 /nfs/dbraw/zinc/83/37/38/598833738.db2.gz RYWWHJOCPYZMKX-YLJYHZDGSA-N 1 1 395.463 2.150 20 0 GEADMO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000736900217 598862356 /nfs/dbraw/zinc/86/23/56/598862356.db2.gz DEDMDQZUJTWODC-SFHVURJKSA-N 1 1 386.500 2.133 20 0 GEADMO O=C(C[N@@H+](CCO)[C@H]1CCCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866169 598898189 /nfs/dbraw/zinc/89/81/89/598898189.db2.gz XNWFUMDDODPKSV-INIZCTEOSA-N 1 1 398.492 2.239 20 0 GEADMO O=C(C[N@H+](CCO)[C@H]1CCCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866169 598898191 /nfs/dbraw/zinc/89/81/91/598898191.db2.gz 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CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705546 598985104 /nfs/dbraw/zinc/98/51/04/598985104.db2.gz LCUVLVSOZGYMBA-INIZCTEOSA-N 1 1 397.483 2.350 20 0 GEADMO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736293851 598993062 /nfs/dbraw/zinc/99/30/62/598993062.db2.gz SAKMXOBVQWYOBM-RYUDHWBXSA-N 1 1 390.513 2.245 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736854207 599029569 /nfs/dbraw/zinc/02/95/69/599029569.db2.gz BMXONESOEBXHBC-SFHVURJKSA-N 1 1 392.463 2.270 20 0 GEADMO Cc1cccc(NC2CC[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737399910 599051855 /nfs/dbraw/zinc/05/18/55/599051855.db2.gz OMQRYMWUXWLCAA-LJQANCHMSA-N 1 1 391.479 2.278 20 0 GEADMO COc1cc2[nH+]c(NCc3cc(-c4nn[nH]n4)ccc3F)nc(N)c2cc1OC ZINC000821727365 599069717 /nfs/dbraw/zinc/06/97/17/599069717.db2.gz IGZHZZAIBSGYLG-UHFFFAOYSA-N 1 1 396.386 2.161 20 0 GEADMO CCn1c(C)cc2c1CCC[C@@H]2[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736719929 599071528 /nfs/dbraw/zinc/07/15/28/599071528.db2.gz FSVMFRDTZRUDNF-WMZOPIPTSA-N 1 1 379.468 2.190 20 0 GEADMO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473622 599073456 /nfs/dbraw/zinc/07/34/56/599073456.db2.gz FBQGSFYQKATMHU-HZPDHXFCSA-N 1 1 397.508 2.346 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736226972 599078975 /nfs/dbraw/zinc/07/89/75/599078975.db2.gz KBDUUDGDURGZBE-DOTOQJQBSA-N 1 1 386.500 2.357 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736565333 599080132 /nfs/dbraw/zinc/08/01/32/599080132.db2.gz JTLQDYLNOKEZBD-YOEHRIQHSA-N 1 1 388.541 2.289 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000738384175 599081208 /nfs/dbraw/zinc/08/12/08/599081208.db2.gz CZJJWQHZTGOXIZ-IEBWSBKVSA-N 1 1 397.504 2.397 20 0 GEADMO NC(=O)[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736616 599087740 /nfs/dbraw/zinc/08/77/40/599087740.db2.gz JSJIMRDAMZRLSA-OAHLLOKOSA-N 1 1 388.884 2.428 20 0 GEADMO CN(C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000736856059 599090937 /nfs/dbraw/zinc/09/09/37/599090937.db2.gz KRIDTKDUCOHCGS-INIZCTEOSA-N 1 1 393.451 2.220 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)[nH+]1 ZINC000822193086 599095912 /nfs/dbraw/zinc/09/59/12/599095912.db2.gz KWUYYJAHUJDIOK-BRWVUGGUSA-N 1 1 389.463 2.447 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCOc1ccccc1F ZINC000735562697 599106204 /nfs/dbraw/zinc/10/62/04/599106204.db2.gz QFFGGALKXXOQPI-ZDUSSCGKSA-N 1 1 384.415 2.344 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)CCOc1ccccc1F ZINC000735562697 599106207 /nfs/dbraw/zinc/10/62/07/599106207.db2.gz QFFGGALKXXOQPI-ZDUSSCGKSA-N 1 1 384.415 2.344 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC[N@H+]1C ZINC000736234986 599106487 /nfs/dbraw/zinc/10/64/87/599106487.db2.gz LFTBLAUTJKVDNL-BBRMVZONSA-N 1 1 393.451 2.267 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000737188780 599107409 /nfs/dbraw/zinc/10/74/09/599107409.db2.gz GOMQBYDRHMIKIF-PWSUYJOCSA-N 1 1 387.513 2.074 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000735559206 599174427 /nfs/dbraw/zinc/17/44/27/599174427.db2.gz JXQOBVIYXNATGE-ZDUSSCGKSA-N 1 1 384.415 2.344 20 0 GEADMO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000736189949 599220538 /nfs/dbraw/zinc/22/05/38/599220538.db2.gz UYEHJHNCHAXRER-NVXWUHKLSA-N 1 1 393.447 2.452 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736290832 599235383 /nfs/dbraw/zinc/23/53/83/599235383.db2.gz CKCWUFVMDROWEF-GXTWGEPZSA-N 1 1 389.891 2.017 20 0 GEADMO CC[N@@H+](C)[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509516 599245342 /nfs/dbraw/zinc/24/53/42/599245342.db2.gz FCGUBVLJRCPRLC-SFHVURJKSA-N 1 1 380.452 2.055 20 0 GEADMO CN(C)c1cccc(C[N@@H+](C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821590707 607312363 /nfs/dbraw/zinc/31/23/63/607312363.db2.gz BPMCVOAWCLKDLO-IBGZPJMESA-N 1 1 391.479 2.170 20 0 GEADMO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)o1 ZINC000736687391 599272312 /nfs/dbraw/zinc/27/23/12/599272312.db2.gz TWQDJCBYJQMHSX-QGZVFWFLSA-N 1 1 380.452 2.475 20 0 GEADMO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)o1 ZINC000736687391 599272313 /nfs/dbraw/zinc/27/23/13/599272313.db2.gz TWQDJCBYJQMHSX-QGZVFWFLSA-N 1 1 380.452 2.475 20 0 GEADMO Cc1c(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822066509 607321998 /nfs/dbraw/zinc/32/19/98/607321998.db2.gz FMGKNUZVFVJNKD-QGZVFWFLSA-N 1 1 392.463 2.405 20 0 GEADMO Cc1c(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822066509 607321999 /nfs/dbraw/zinc/32/19/99/607321999.db2.gz FMGKNUZVFVJNKD-QGZVFWFLSA-N 1 1 392.463 2.405 20 0 GEADMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000819854894 607325219 /nfs/dbraw/zinc/32/52/19/607325219.db2.gz CVZIPIOGHLDFEA-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000819854894 607325220 /nfs/dbraw/zinc/32/52/20/607325220.db2.gz CVZIPIOGHLDFEA-OAHLLOKOSA-N 1 1 376.464 2.272 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736848276 598239721 /nfs/dbraw/zinc/23/97/21/598239721.db2.gz LFCVAOAPDLDVIX-CQSZACIVSA-N 1 1 396.451 2.062 20 0 GEADMO Cc1ccc(CC(=O)N2CCN(c3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000737329041 598246811 /nfs/dbraw/zinc/24/68/11/598246811.db2.gz IQKWGSOFOSBADP-UHFFFAOYSA-N 1 1 391.479 2.078 20 0 GEADMO COC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000736947420 598250687 /nfs/dbraw/zinc/25/06/87/598250687.db2.gz KGRILQXDTSNRLA-UHFFFAOYSA-N 1 1 383.408 2.290 20 0 GEADMO CC(C)C[C@@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735795165 598334136 /nfs/dbraw/zinc/33/41/36/598334136.db2.gz MBGIWEFEDXUOJV-INIZCTEOSA-N 1 1 397.483 2.099 20 0 GEADMO C[C@H]1CCC[C@@H]([N@@H+](C)CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736254570 598334785 /nfs/dbraw/zinc/33/47/85/598334785.db2.gz ZIRDGTSDGTWWBX-WMLDXEAASA-N 1 1 397.483 2.099 20 0 GEADMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737503035 598348314 /nfs/dbraw/zinc/34/83/14/598348314.db2.gz QRTQWBKLSFSLCT-BBRMVZONSA-N 1 1 381.440 2.003 20 0 GEADMO CC(C)(C)c1coc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000735652798 598348468 /nfs/dbraw/zinc/34/84/68/598348468.db2.gz RTVHEVTURZYOMJ-UHFFFAOYSA-N 1 1 381.484 2.470 20 0 GEADMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737503037 598348474 /nfs/dbraw/zinc/34/84/74/598348474.db2.gz QRTQWBKLSFSLCT-CJNGLKHVSA-N 1 1 381.440 2.003 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)oc1C ZINC000737477791 598349519 /nfs/dbraw/zinc/34/95/19/598349519.db2.gz OVNYKMGYBBQGMR-UHFFFAOYSA-N 1 1 385.447 2.319 20 0 GEADMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737473656 598357466 /nfs/dbraw/zinc/35/74/66/598357466.db2.gz GAGJRETWNLHUBP-MRXNPFEDSA-N 1 1 391.483 2.240 20 0 GEADMO CC[N@@H+](CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736536221 598362022 /nfs/dbraw/zinc/36/20/22/598362022.db2.gz FPRIOWMLQMFSSI-UHFFFAOYSA-N 1 1 391.545 2.129 20 0 GEADMO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736286816 598366020 /nfs/dbraw/zinc/36/60/20/598366020.db2.gz NTQRHXJPGMKHTM-OXJNMPFZSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736286816 598366022 /nfs/dbraw/zinc/36/60/22/598366022.db2.gz NTQRHXJPGMKHTM-OXJNMPFZSA-N 1 1 378.480 2.106 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736286816 598366024 /nfs/dbraw/zinc/36/60/24/598366024.db2.gz NTQRHXJPGMKHTM-OXJNMPFZSA-N 1 1 378.480 2.106 20 0 GEADMO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736828679 598366854 /nfs/dbraw/zinc/36/68/54/598366854.db2.gz QLXKYWFTNWYXPF-INIZCTEOSA-N 1 1 394.483 2.224 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000735559891 598373989 /nfs/dbraw/zinc/37/39/89/598373989.db2.gz ASJSEQOEFURHJL-ZDUSSCGKSA-N 1 1 378.436 2.000 20 0 GEADMO CC(C)c1ncc2c(n1)C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000735943481 598375574 /nfs/dbraw/zinc/37/55/74/598375574.db2.gz RTIWMTMFRVATKO-UHFFFAOYSA-N 1 1 398.496 2.229 20 0 GEADMO CC(C)c1ncc2c(n1)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000735943481 598375576 /nfs/dbraw/zinc/37/55/76/598375576.db2.gz RTIWMTMFRVATKO-UHFFFAOYSA-N 1 1 398.496 2.229 20 0 GEADMO O=C(COc1cccc(-c2nn[nH]n2)c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000737919793 598421726 /nfs/dbraw/zinc/42/17/26/598421726.db2.gz KBGDSGWKKCGLGI-QGZVFWFLSA-N 1 1 390.447 2.257 20 0 GEADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737372042 598441281 /nfs/dbraw/zinc/44/12/81/598441281.db2.gz VFBGTNARHQVULZ-MAUKXSAKSA-N 1 1 375.436 2.018 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CCCO1 ZINC000736284727 598462885 /nfs/dbraw/zinc/46/28/85/598462885.db2.gz DXRGHMFMUNPKSV-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736247450 598465873 /nfs/dbraw/zinc/46/58/73/598465873.db2.gz DEDFBYKDKLQCKU-JTDSTZFVSA-N 1 1 397.527 2.215 20 0 GEADMO C[C@H](CNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[N@@H+](C)C1CC1 ZINC000736026025 598502309 /nfs/dbraw/zinc/50/23/09/598502309.db2.gz LXZKODCUYVYZKB-CYBMUJFWSA-N 1 1 396.451 2.251 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(c3nc4ccccc4o3)CC2)[nH+]1 ZINC000737243891 598502580 /nfs/dbraw/zinc/50/25/80/598502580.db2.gz BZYITLTVEANPQC-UHFFFAOYSA-N 1 1 376.424 2.346 20 0 GEADMO Cc1cc(N2CCC[C@H](OC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272923 598543815 /nfs/dbraw/zinc/54/38/15/598543815.db2.gz WBSHEVUSLZTMOI-KRWDZBQOSA-N 1 1 393.451 2.028 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736569377 598555747 /nfs/dbraw/zinc/55/57/47/598555747.db2.gz HGHVXFCXUGZASA-OAHLLOKOSA-N 1 1 396.451 2.253 20 0 GEADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736224017 598666038 /nfs/dbraw/zinc/66/60/38/598666038.db2.gz LBZPJRVIZKHCIQ-QLFBSQMISA-N 1 1 388.541 2.441 20 0 GEADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738198474 598683445 /nfs/dbraw/zinc/68/34/45/598683445.db2.gz UERHPKASMPFSQO-CQSZACIVSA-N 1 1 381.415 2.252 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736020000 598704417 /nfs/dbraw/zinc/70/44/17/598704417.db2.gz JHBOMMCPLHVKQQ-ZDUSSCGKSA-N 1 1 376.461 2.091 20 0 GEADMO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738302366 598707664 /nfs/dbraw/zinc/70/76/64/598707664.db2.gz LABXIHYFZVFHHS-QGZVFWFLSA-N 1 1 384.484 2.113 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736402561 598710600 /nfs/dbraw/zinc/71/06/00/598710600.db2.gz NYCHPJJBKJDWFR-CQSZACIVSA-N 1 1 392.529 2.046 20 0 GEADMO O=C(OCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738223297 598723935 /nfs/dbraw/zinc/72/39/35/598723935.db2.gz GWPAVFJIQKPCPA-IBGZPJMESA-N 1 1 393.447 2.453 20 0 GEADMO O=C(OCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738223297 598723937 /nfs/dbraw/zinc/72/39/37/598723937.db2.gz GWPAVFJIQKPCPA-IBGZPJMESA-N 1 1 393.447 2.453 20 0 GEADMO c1ccc(NC[C@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000738436478 598763106 /nfs/dbraw/zinc/76/31/06/598763106.db2.gz RAZSUGGFRKMGAC-MRXNPFEDSA-N 1 1 379.468 2.465 20 0 GEADMO C[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736305025 598763371 /nfs/dbraw/zinc/76/33/71/598763371.db2.gz SAQNSHHFALFWMT-GOEBONIOSA-N 1 1 381.436 2.062 20 0 GEADMO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736425662 598764820 /nfs/dbraw/zinc/76/48/20/598764820.db2.gz WOSKCFLQPDRFDG-HUUCEWRRSA-N 1 1 386.500 2.403 20 0 GEADMO CC[C@@H](C)[C@H](O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736335195 598774761 /nfs/dbraw/zinc/77/47/61/598774761.db2.gz YBCQXVLXPUHCCX-YMTOWFKASA-N 1 1 378.383 2.257 20 0 GEADMO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000736702449 599292631 /nfs/dbraw/zinc/29/26/31/599292631.db2.gz PIOLSBBFMQMTLL-MRXNPFEDSA-N 1 1 395.467 2.040 20 0 GEADMO O[C@H](CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(Cl)c1 ZINC000823682895 599303536 /nfs/dbraw/zinc/30/35/36/599303536.db2.gz VVVPUGIJQRGWMB-LJQANCHMSA-N 1 1 398.898 2.371 20 0 GEADMO COc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737120873 599312386 /nfs/dbraw/zinc/31/23/86/599312386.db2.gz IJHHXSJTFYIYBP-OAHLLOKOSA-N 1 1 392.463 2.394 20 0 GEADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822945592 599321508 /nfs/dbraw/zinc/32/15/08/599321508.db2.gz KQQUYVWQTAPNHA-INIZCTEOSA-N 1 1 396.426 2.235 20 0 GEADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822945592 599321510 /nfs/dbraw/zinc/32/15/10/599321510.db2.gz KQQUYVWQTAPNHA-INIZCTEOSA-N 1 1 396.426 2.235 20 0 GEADMO CC[C@@]1(C)CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950128 599329097 /nfs/dbraw/zinc/32/90/97/599329097.db2.gz JYPHEWYDEUNFPI-FQEVSTJZSA-N 1 1 397.483 2.101 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821255379 599344500 /nfs/dbraw/zinc/34/45/00/599344500.db2.gz ZGPZKCXYKVHSHW-DGCLKSJQSA-N 1 1 398.920 2.013 20 0 GEADMO O=C(CC[N@H+](CCCCO)C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838910 599355694 /nfs/dbraw/zinc/35/56/94/599355694.db2.gz OXVAPPRQFAHSQB-UHFFFAOYSA-N 1 1 378.864 2.086 20 0 GEADMO Cc1cccc(NCCNC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)[nH+]1 ZINC000822323451 599361247 /nfs/dbraw/zinc/36/12/47/599361247.db2.gz GYKKUUDIJZXNOH-GOSISDBHSA-N 1 1 395.467 2.202 20 0 GEADMO Cc1ccc(NCCCNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[nH+]c1 ZINC000737361946 599366094 /nfs/dbraw/zinc/36/60/94/599366094.db2.gz KSGDUAMSJIQBGQ-UHFFFAOYSA-N 1 1 397.508 2.422 20 0 GEADMO Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000822309345 599402863 /nfs/dbraw/zinc/40/28/63/599402863.db2.gz VHRQIJPGNNFSMZ-UHFFFAOYSA-N 1 1 395.511 2.460 20 0 GEADMO c1cc(-c2nn[n-]n2)oc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823788256 599410271 /nfs/dbraw/zinc/41/02/71/599410271.db2.gz WETSGYGLZLNQFN-UHFFFAOYSA-N 1 1 381.484 2.152 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820979953 599442939 /nfs/dbraw/zinc/44/29/39/599442939.db2.gz KGBODELKIHWXDS-OAHLLOKOSA-N 1 1 375.452 2.070 20 0 GEADMO Clc1ccc(-n2ncc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000822573774 599452995 /nfs/dbraw/zinc/45/29/95/599452995.db2.gz IFNJGLKIIRQLSZ-UHFFFAOYSA-N 1 1 396.842 2.269 20 0 GEADMO Cc1cccc2c(N[C@@H]3CCN(CC(F)(F)F)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336897 599506146 /nfs/dbraw/zinc/50/61/46/599506146.db2.gz STYOTJOIRUBERL-LLVKDONJSA-N 1 1 377.374 2.194 20 0 GEADMO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000821378633 599533635 /nfs/dbraw/zinc/53/36/35/599533635.db2.gz QPTNKDCFVDOEQQ-GFCCVEGCSA-N 1 1 384.406 2.433 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735749506 599539375 /nfs/dbraw/zinc/53/93/75/599539375.db2.gz MZJHKIATZAMCJG-CQSZACIVSA-N 1 1 379.921 2.489 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCCOC[C@H]3CCOC3)c2c1 ZINC000822195105 599569480 /nfs/dbraw/zinc/56/94/80/599569480.db2.gz HGJPFUHYIXDPHM-OAHLLOKOSA-N 1 1 382.468 2.309 20 0 GEADMO Cc1cccc2c(NCCCOCC3CCOCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334775 599569510 /nfs/dbraw/zinc/56/95/10/599569510.db2.gz GTFWVOBIQILXKT-UHFFFAOYSA-N 1 1 382.468 2.390 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(c3ncnc4ccsc43)CC2)[nH+]1 ZINC000822193040 599579761 /nfs/dbraw/zinc/57/97/61/599579761.db2.gz JDVLESBQMPSXHL-UHFFFAOYSA-N 1 1 393.480 2.210 20 0 GEADMO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844860 599590066 /nfs/dbraw/zinc/59/00/66/599590066.db2.gz WUIDPSFLBLDYHB-MRXNPFEDSA-N 1 1 383.500 2.146 20 0 GEADMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736302927 599591313 /nfs/dbraw/zinc/59/13/13/599591313.db2.gz IPZNXNGVMRBJJL-CXAGYDPISA-N 1 1 383.427 2.365 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822997597 599640871 /nfs/dbraw/zinc/64/08/71/599640871.db2.gz SVXHYDWUWJCOGO-RHSMWYFYSA-N 1 1 392.467 2.255 20 0 GEADMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890696 599643281 /nfs/dbraw/zinc/64/32/81/599643281.db2.gz OBZKOFUALRAYHQ-CQSZACIVSA-N 1 1 380.452 2.377 20 0 GEADMO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159945 599643738 /nfs/dbraw/zinc/64/37/38/599643738.db2.gz DWUDWNLTAYBMEW-CYBMUJFWSA-N 1 1 391.907 2.122 20 0 GEADMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821159945 599643739 /nfs/dbraw/zinc/64/37/39/599643739.db2.gz DWUDWNLTAYBMEW-CYBMUJFWSA-N 1 1 391.907 2.122 20 0 GEADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000820722862 599654852 /nfs/dbraw/zinc/65/48/52/599654852.db2.gz QFTVFUOYIOOVQJ-CQSZACIVSA-N 1 1 393.451 2.235 20 0 GEADMO C[NH+](C)CC(=O)Nc1ccc(NC(=S)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000821583568 599664057 /nfs/dbraw/zinc/66/40/57/599664057.db2.gz ZXYBLMNPIBWELY-UHFFFAOYSA-N 1 1 396.480 2.176 20 0 GEADMO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821604967 599683891 /nfs/dbraw/zinc/68/38/91/599683891.db2.gz PCXYOAJDUOSNSW-AWEZNQCLSA-N 1 1 388.472 2.187 20 0 GEADMO CC(C)[C@](C)(O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820015876 599684736 /nfs/dbraw/zinc/68/47/36/599684736.db2.gz HHOFZRVIWYEFOF-QGZVFWFLSA-N 1 1 378.383 2.257 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000820542212 599692311 /nfs/dbraw/zinc/69/23/11/599692311.db2.gz MFJGQEZZOBUSJC-HNNXBMFYSA-N 1 1 384.484 2.111 20 0 GEADMO Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948179 /nfs/dbraw/zinc/94/81/79/599948179.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948181 /nfs/dbraw/zinc/94/81/81/599948181.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C[C@@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000738598005 599948184 /nfs/dbraw/zinc/94/81/84/599948184.db2.gz NAGUGAIHMBIIKA-GOSISDBHSA-N 1 1 387.524 2.214 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3)c2)C1 ZINC000738436174 600435966 /nfs/dbraw/zinc/43/59/66/600435966.db2.gz FXCTWBUYNYTQQH-UXHICEINSA-N 1 1 381.476 2.299 20 0 GEADMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1(C)C ZINC000821359687 607452277 /nfs/dbraw/zinc/45/22/77/607452277.db2.gz OTDUKQLVMSDHDK-CHWSQXEVSA-N 1 1 376.461 2.150 20 0 GEADMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1(C)C ZINC000821359687 607452279 /nfs/dbraw/zinc/45/22/79/607452279.db2.gz OTDUKQLVMSDHDK-CHWSQXEVSA-N 1 1 376.461 2.150 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330911 607457454 /nfs/dbraw/zinc/45/74/54/607457454.db2.gz NJLHEXZNWYNZKG-UHFFFAOYSA-N 1 1 380.456 2.140 20 0 GEADMO O=C([O-])c1ccsc1N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000833336430 600795406 /nfs/dbraw/zinc/79/54/06/600795406.db2.gz QKLVABYKDNWHSW-MRXNPFEDSA-N 1 1 377.510 2.359 20 0 GEADMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824377961 607472762 /nfs/dbraw/zinc/47/27/62/607472762.db2.gz UOEIJSHTEBOHMQ-UGSOOPFHSA-N 1 1 378.436 2.129 20 0 GEADMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824377961 607472763 /nfs/dbraw/zinc/47/27/63/607472763.db2.gz UOEIJSHTEBOHMQ-UGSOOPFHSA-N 1 1 378.436 2.129 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826176037 607476978 /nfs/dbraw/zinc/47/69/78/607476978.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 1 1 398.511 2.203 20 0 GEADMO OC1CC[NH+](Cc2ccc(CNCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000823705998 607481426 /nfs/dbraw/zinc/48/14/26/607481426.db2.gz JVOZRXGVKLMJAC-UHFFFAOYSA-N 1 1 396.470 2.252 20 0 GEADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232916 607489970 /nfs/dbraw/zinc/48/99/70/607489970.db2.gz LHVULOUKMXHKNF-HOCLYGCPSA-N 1 1 386.500 2.392 20 0 GEADMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194352 607492548 /nfs/dbraw/zinc/49/25/48/607492548.db2.gz JZWYAIBTJVZNQJ-CQSZACIVSA-N 1 1 388.472 2.222 20 0 GEADMO C[C@]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)(C(=O)[O-])C1CC1 ZINC000827727722 601174164 /nfs/dbraw/zinc/17/41/64/601174164.db2.gz MFFVYHADYIZVIG-HSZRJFAPSA-N 1 1 395.503 2.327 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823246267 607497163 /nfs/dbraw/zinc/49/71/63/607497163.db2.gz JACDMZPZUJDVDC-AEFFLSMTSA-N 1 1 381.484 2.025 20 0 GEADMO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823232975 607499172 /nfs/dbraw/zinc/49/91/72/607499172.db2.gz CEMDTFZJPARYCK-KDOFPFPSSA-N 1 1 399.474 2.164 20 0 GEADMO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823066458 607503313 /nfs/dbraw/zinc/50/33/13/607503313.db2.gz ZSQITPSCZAFLRW-MAUKXSAKSA-N 1 1 398.536 2.434 20 0 GEADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000824505481 607523158 /nfs/dbraw/zinc/52/31/58/607523158.db2.gz DXTLKHAHDYZGGL-DZGCQCFKSA-N 1 1 387.488 2.387 20 0 GEADMO C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000263574149 601970125 /nfs/dbraw/zinc/97/01/25/601970125.db2.gz NIKSXLUDDZPWEM-XLIONFOSSA-N 1 1 393.915 2.390 20 0 GEADMO C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000263574149 601970128 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CC(C)(C)NC(=O)NC(=O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451889867 650150449 /nfs/dbraw/zinc/15/04/49/650150449.db2.gz MQBIXGODFDRONC-MRXNPFEDSA-N 1 1 376.284 2.415 20 0 GEADMO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451889866 650150524 /nfs/dbraw/zinc/15/05/24/650150524.db2.gz MQBIXGODFDRONC-INIZCTEOSA-N 1 1 376.284 2.415 20 0 GEADMO C[C@](CO)([NH2+]CC(=O)Nc1nc(C2CC2)no1)c1cc(Cl)cc(Cl)c1 ZINC000451900953 650151445 /nfs/dbraw/zinc/15/14/45/650151445.db2.gz ATSOJJBTGBCGRP-MRXNPFEDSA-N 1 1 385.251 2.112 20 0 GEADMO O[C@H]([C@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C1)C(F)(F)F ZINC000451914394 650153065 /nfs/dbraw/zinc/15/30/65/650153065.db2.gz UKJAOJBZZDAMGP-VHRBIJSZSA-N 1 1 398.219 2.434 20 0 GEADMO COC[C@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000451930314 650154556 /nfs/dbraw/zinc/15/45/56/650154556.db2.gz QQJNZBZTWMTNJZ-MRXNPFEDSA-N 1 1 389.265 2.248 20 0 GEADMO CCN1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000451975889 650160031 /nfs/dbraw/zinc/16/00/31/650160031.db2.gz AJEXESYLPYSHMC-UHFFFAOYSA-N 1 1 397.361 2.393 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452069947 650170970 /nfs/dbraw/zinc/17/09/70/650170970.db2.gz QZTPLUSPNISPOM-GYSYKLTISA-N 1 1 388.249 2.321 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](CCCO)C1)Nc1cccc(I)c1 ZINC000452116155 650174625 /nfs/dbraw/zinc/17/46/25/650174625.db2.gz BXASVGIJBDJBIL-LBPRGKRZSA-N 1 1 388.249 2.324 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](CCCO)C1)Nc1ccc(I)cc1 ZINC000452117428 650174657 /nfs/dbraw/zinc/17/46/57/650174657.db2.gz CYSIZTMNPHRJBZ-GFCCVEGCSA-N 1 1 388.249 2.324 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000452119987 650174874 /nfs/dbraw/zinc/17/48/74/650174874.db2.gz QPUBAFDMDXUIQO-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000452119987 650174877 /nfs/dbraw/zinc/17/48/77/650174877.db2.gz QPUBAFDMDXUIQO-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000452124726 650175331 /nfs/dbraw/zinc/17/53/31/650175331.db2.gz WSRLECIKSVTVJI-LLVKDONJSA-N 1 1 379.810 2.296 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000452124726 650175333 /nfs/dbraw/zinc/17/53/33/650175333.db2.gz WSRLECIKSVTVJI-LLVKDONJSA-N 1 1 379.810 2.296 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c(F)ccc(Br)c1F ZINC000452350096 650180627 /nfs/dbraw/zinc/18/06/27/650180627.db2.gz CBXQPJXVNDLPSA-SNVBAGLBSA-N 1 1 377.229 2.304 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccnc(SCC(F)(F)F)c1 ZINC000452389232 650183729 /nfs/dbraw/zinc/18/37/29/650183729.db2.gz LQJAMCHEXQBSFP-ZDUSSCGKSA-N 1 1 377.432 2.313 20 0 GEADMO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389006 650183963 /nfs/dbraw/zinc/18/39/63/650183963.db2.gz KVALUZXNAUJZGR-CQSZACIVSA-N 1 1 385.295 2.147 20 0 GEADMO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Br ZINC000452393126 650184203 /nfs/dbraw/zinc/18/42/03/650184203.db2.gz RZHDILOUVYVRAI-OAHLLOKOSA-N 1 1 399.329 2.353 20 0 GEADMO C[C@H](C(=O)NCc1nn(C)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000452760150 650196516 /nfs/dbraw/zinc/19/65/16/650196516.db2.gz ZDHGDZARXGJKSM-GFCCVEGCSA-N 1 1 377.286 2.246 20 0 GEADMO C[C@H](C(=O)NCc1nn(C)cc1Br)[N@H+]1CCc2ccccc2C1 ZINC000452760150 650196518 /nfs/dbraw/zinc/19/65/18/650196518.db2.gz ZDHGDZARXGJKSM-GFCCVEGCSA-N 1 1 377.286 2.246 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c(Br)cncc1Br ZINC000452832710 650198952 /nfs/dbraw/zinc/19/89/52/650198952.db2.gz XRFDCBXOBLZKPT-WCBMZHEXSA-N 1 1 391.107 2.421 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ncc(Br)cc3Br)C[C@@H]21 ZINC000452975708 650201914 /nfs/dbraw/zinc/20/19/14/650201914.db2.gz NYWADXPTXPIOQY-KCJUWKMLSA-N 1 1 389.091 2.383 20 0 GEADMO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000453283264 650207839 /nfs/dbraw/zinc/20/78/39/650207839.db2.gz MNNVTUAIURQEQM-SMDDNHRTSA-N 1 1 385.921 2.208 20 0 GEADMO CC[C@H]([NH2+]Cc1nn(C)cc1I)C1(C(=O)OC)CCC1 ZINC000453371570 650208937 /nfs/dbraw/zinc/20/89/37/650208937.db2.gz NSPGFXQBXRHOBY-LBPRGKRZSA-N 1 1 391.253 2.236 20 0 GEADMO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)s1 ZINC000453608155 650210280 /nfs/dbraw/zinc/21/02/80/650210280.db2.gz OQHLSIJLBGJOLX-JTQLQIEISA-N 1 1 384.303 2.347 20 0 GEADMO Cc1cc(Br)c(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)s1 ZINC000453608155 650210283 /nfs/dbraw/zinc/21/02/83/650210283.db2.gz OQHLSIJLBGJOLX-JTQLQIEISA-N 1 1 384.303 2.347 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000453605559 650210332 /nfs/dbraw/zinc/21/03/32/650210332.db2.gz UFDAYUDTLXNJCN-UHFFFAOYSA-N 1 1 386.265 2.388 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000453607506 650210373 /nfs/dbraw/zinc/21/03/73/650210373.db2.gz GCOAZOAAGDSJDF-VXGBXAGGSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000453610990 650210627 /nfs/dbraw/zinc/21/06/27/650210627.db2.gz RJCDXLQAOCGYFG-VXGBXAGGSA-N 1 1 397.317 2.470 20 0 GEADMO CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000453624477 650210748 /nfs/dbraw/zinc/21/07/48/650210748.db2.gz FQSGWTHRHYUJEC-LBPRGKRZSA-N 1 1 397.317 2.006 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000453651477 650212374 /nfs/dbraw/zinc/21/23/74/650212374.db2.gz CMXQZQWIPKQLEI-AGUYFDCRSA-N 1 1 395.301 2.223 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)[C@@H](C)C1 ZINC000453710052 650218516 /nfs/dbraw/zinc/21/85/16/650218516.db2.gz DZUVMAXZTXXEPK-NHYWBVRUSA-N 1 1 397.317 2.280 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000453737383 650221133 /nfs/dbraw/zinc/22/11/33/650221133.db2.gz FMECHPCNNQNLDR-UHFFFAOYSA-N 1 1 386.265 2.388 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453769387 650224644 /nfs/dbraw/zinc/22/46/44/650224644.db2.gz VPDDHGGBZLMKQF-LLVKDONJSA-N 1 1 385.306 2.328 20 0 GEADMO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC[N@H+](C2CC2)C1 ZINC000453768303 650224714 /nfs/dbraw/zinc/22/47/14/650224714.db2.gz MGAHZAFHQVIVOJ-LLVKDONJSA-N 1 1 398.276 2.469 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NC2CC(C)(F)C2)cc1Br ZINC000453784669 650226083 /nfs/dbraw/zinc/22/60/83/650226083.db2.gz APWYHJLUUUACLY-UHFFFAOYSA-N 1 1 386.265 2.456 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000453926691 650236885 /nfs/dbraw/zinc/23/68/85/650236885.db2.gz KJYLJJBFFJWBCM-RNCFNFMXSA-N 1 1 375.778 2.460 20 0 GEADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000453966404 650240810 /nfs/dbraw/zinc/24/08/10/650240810.db2.gz IOBVNTYJGKSJPB-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000453966404 650240813 /nfs/dbraw/zinc/24/08/13/650240813.db2.gz IOBVNTYJGKSJPB-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000453990103 650243967 /nfs/dbraw/zinc/24/39/67/650243967.db2.gz BWNUKOSOBDJNMZ-LLVKDONJSA-N 1 1 386.265 2.469 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H](C)[N@@H+]1C ZINC000454361144 650264055 /nfs/dbraw/zinc/26/40/55/650264055.db2.gz VEHYYKOLWIQGRK-TXEJJXNPSA-N 1 1 380.290 2.331 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)C[C@@H]21 ZINC000454488299 650267664 /nfs/dbraw/zinc/26/76/64/650267664.db2.gz QBQPTGNYCNMXMF-CPUCHLNUSA-N 1 1 393.329 2.373 20 0 GEADMO C[C@H]1C[C@H](NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000454640144 650274297 /nfs/dbraw/zinc/27/42/97/650274297.db2.gz JHOWQQJPFAWVGV-DZGCQCFKSA-N 1 1 387.933 2.286 20 0 GEADMO COc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000454935487 650284225 /nfs/dbraw/zinc/28/42/25/650284225.db2.gz OEZJAEYNWSCDIJ-TXEJJXNPSA-N 1 1 386.290 2.377 20 0 GEADMO COc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000454935487 650284230 /nfs/dbraw/zinc/28/42/30/650284230.db2.gz OEZJAEYNWSCDIJ-TXEJJXNPSA-N 1 1 386.290 2.377 20 0 GEADMO CN(Cc1ccc(Br)c(F)c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000455002495 650286699 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C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)[N@H+]1CCO ZINC000456205288 650334052 /nfs/dbraw/zinc/33/40/52/650334052.db2.gz BLBNFBAXZAHGAP-TXEJJXNPSA-N 1 1 385.295 2.097 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)[N@@H+]1CCO ZINC000456205288 650334054 /nfs/dbraw/zinc/33/40/54/650334054.db2.gz BLBNFBAXZAHGAP-TXEJJXNPSA-N 1 1 385.295 2.097 20 0 GEADMO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000456512317 650346019 /nfs/dbraw/zinc/34/60/19/650346019.db2.gz ZXWBELOXSCHKPZ-VNQPRFMTSA-N 1 1 383.330 2.222 20 0 GEADMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000457048072 650372572 /nfs/dbraw/zinc/37/25/72/650372572.db2.gz DJEDNLHWRBKUTK-UHFFFAOYSA-N 1 1 396.289 2.286 20 0 GEADMO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500269944 650374001 /nfs/dbraw/zinc/37/40/01/650374001.db2.gz QXSGLTOOUZPRRL-VXGBXAGGSA-N 1 1 376.320 2.015 20 0 GEADMO C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500269944 650374005 /nfs/dbraw/zinc/37/40/05/650374005.db2.gz QXSGLTOOUZPRRL-VXGBXAGGSA-N 1 1 376.320 2.015 20 0 GEADMO Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000500500569 650379773 /nfs/dbraw/zinc/37/97/73/650379773.db2.gz RIEAZEIIQLNGEC-MRXNPFEDSA-N 1 1 385.961 2.439 20 0 GEADMO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C(C)(C)C1 ZINC000500509500 650379902 /nfs/dbraw/zinc/37/99/02/650379902.db2.gz YULWAPDTGBYQLB-OAHLLOKOSA-N 1 1 394.313 2.355 20 0 GEADMO Cc1cc(Br)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1 ZINC000457551308 650380803 /nfs/dbraw/zinc/38/08/03/650380803.db2.gz KKMKIBFDQHXDEW-UHFFFAOYSA-N 1 1 388.331 2.101 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000501343457 650390240 /nfs/dbraw/zinc/39/02/40/650390240.db2.gz ZHJDOONIZNXQNY-LBPRGKRZSA-N 1 1 382.302 2.120 20 0 GEADMO COC(=O)CN(C)C(=O)CC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501420519 650391465 /nfs/dbraw/zinc/39/14/65/650391465.db2.gz QQHHHWRRTYSRPT-GFCCVEGCSA-N 1 1 383.286 2.217 20 0 GEADMO COC(=O)Cn1cc(CC[N@@H+]2Cc3cc(Br)ccc3C[C@@H]2C)nn1 ZINC000501429211 650391767 /nfs/dbraw/zinc/39/17/67/650391767.db2.gz WNRHQVPORMKBQR-LBPRGKRZSA-N 1 1 393.285 2.203 20 0 GEADMO COC(=O)Cn1cc(CC[N@H+]2Cc3cc(Br)ccc3C[C@@H]2C)nn1 ZINC000501429211 650391772 /nfs/dbraw/zinc/39/17/72/650391772.db2.gz WNRHQVPORMKBQR-LBPRGKRZSA-N 1 1 393.285 2.203 20 0 GEADMO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000458013748 650392755 /nfs/dbraw/zinc/39/27/55/650392755.db2.gz NNNGIPARVFNMBE-HOTGVXAUSA-N 1 1 398.345 2.302 20 0 GEADMO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1Br ZINC000458013750 650392916 /nfs/dbraw/zinc/39/29/16/650392916.db2.gz NNNGIPARVFNMBE-HZPDHXFCSA-N 1 1 398.345 2.302 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000501556908 650395027 /nfs/dbraw/zinc/39/50/27/650395027.db2.gz SIXUZUJBGQHWIB-ZDUSSCGKSA-N 1 1 390.311 2.218 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000501645194 650396037 /nfs/dbraw/zinc/39/60/37/650396037.db2.gz IEFZQSKZCGTOQS-JTQLQIEISA-N 1 1 388.331 2.182 20 0 GEADMO Cc1ccc(C[C@@H](CO)CNC(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000458386858 650401616 /nfs/dbraw/zinc/40/16/16/650401616.db2.gz NXWXKDBJLAREOI-OAHLLOKOSA-N 1 1 398.345 2.302 20 0 GEADMO O=C(NCCc1ccc(Br)cc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458396773 650402052 /nfs/dbraw/zinc/40/20/52/650402052.db2.gz MHOOFQQJFYYOCB-MRXNPFEDSA-N 1 1 384.318 2.138 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000458469003 650404442 /nfs/dbraw/zinc/40/44/42/650404442.db2.gz FCWLSDHXOHMXNT-NSHDSACASA-N 1 1 377.819 2.149 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000458469003 650404444 /nfs/dbraw/zinc/40/44/44/650404444.db2.gz FCWLSDHXOHMXNT-NSHDSACASA-N 1 1 377.819 2.149 20 0 GEADMO O=S(=O)([C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1)N1CCOCC1 ZINC000502376411 650405736 /nfs/dbraw/zinc/40/57/36/650405736.db2.gz NLPCLMKZDZBHLS-QGZVFWFLSA-N 1 1 388.530 2.044 20 0 GEADMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cn1 ZINC000458728231 650409464 /nfs/dbraw/zinc/40/94/64/650409464.db2.gz GAJVCVIUCCUGRN-JSGCOSHPSA-N 1 1 385.306 2.051 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000502694007 650410127 /nfs/dbraw/zinc/41/01/27/650410127.db2.gz LEBQKDVCDYHEID-UONOGXRCSA-N 1 1 384.318 2.354 20 0 GEADMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000502712177 650410493 /nfs/dbraw/zinc/41/04/93/650410493.db2.gz PFFGIELVXWJCAR-HNNXBMFYSA-N 1 1 387.571 2.317 20 0 GEADMO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cc3nc[nH]c32)CCSC1 ZINC000502997932 650413763 /nfs/dbraw/zinc/41/37/63/650413763.db2.gz LYLMAXRRXOKIQM-HNNXBMFYSA-N 1 1 383.315 2.493 20 0 GEADMO Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1Br ZINC000459163082 650420305 /nfs/dbraw/zinc/42/03/05/650420305.db2.gz AXDULRFEKCDARL-OAHLLOKOSA-N 1 1 384.318 2.404 20 0 GEADMO Cc1cc(CNC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)ccc1Br ZINC000459165534 650420391 /nfs/dbraw/zinc/42/03/91/650420391.db2.gz CQQYOYCTDQRYOQ-CZUORRHYSA-N 1 1 384.318 2.354 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503680650 650421252 /nfs/dbraw/zinc/42/12/52/650421252.db2.gz KCHWAVSMSARTAD-NSHDSACASA-N 1 1 391.256 2.185 20 0 GEADMO CC[C@H](C[N@H+](C)Cc1cn(CC(N)=O)nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000459490964 650426086 /nfs/dbraw/zinc/42/60/86/650426086.db2.gz CKDVXMGJHUTTNX-GFCCVEGCSA-N 1 1 386.283 2.360 20 0 GEADMO CC[C@H](C[N@@H+](C)Cc1cn(CC(N)=O)nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000459490964 650426095 /nfs/dbraw/zinc/42/60/95/650426095.db2.gz CKDVXMGJHUTTNX-GFCCVEGCSA-N 1 1 386.283 2.360 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C)C1 ZINC000504139590 650427776 /nfs/dbraw/zinc/42/77/76/650427776.db2.gz FUGMPSIFHPDRDY-OSRSDYAFSA-N 1 1 396.329 2.402 20 0 GEADMO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CC(CC(N)=O)C1 ZINC000459618609 650429236 /nfs/dbraw/zinc/42/92/36/650429236.db2.gz CPPVFVWYJLRNGX-UHFFFAOYSA-N 1 1 399.285 2.007 20 0 GEADMO O=C(C[N@H+]1CCC[C@@](O)(CO)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000459652776 650429795 /nfs/dbraw/zinc/42/97/95/650429795.db2.gz XASVTXXALSJLNG-WMZOPIPTSA-N 1 1 387.307 2.476 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000459652776 650429796 /nfs/dbraw/zinc/42/97/96/650429796.db2.gz XASVTXXALSJLNG-WMZOPIPTSA-N 1 1 387.307 2.476 20 0 GEADMO Cn1nccc1[C@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000459702843 650430118 /nfs/dbraw/zinc/43/01/18/650430118.db2.gz FXXHBTCEWBJWIR-HNNXBMFYSA-N 1 1 376.258 2.192 20 0 GEADMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1cccc(Br)c1 ZINC000504445020 650431543 /nfs/dbraw/zinc/43/15/43/650431543.db2.gz HMIMSPOCPUIBOH-QWRGUYRKSA-N 1 1 389.315 2.331 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccnn2C)ccc1Br ZINC000459772948 650432424 /nfs/dbraw/zinc/43/24/24/650432424.db2.gz TXUIUBRGHUQQLK-FZMZJTMJSA-N 1 1 381.274 2.141 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000504820951 650432523 /nfs/dbraw/zinc/43/25/23/650432523.db2.gz VADPJDKEPNNZFL-WPGHFRTFSA-N 1 1 382.302 2.407 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000459859267 650434241 /nfs/dbraw/zinc/43/42/41/650434241.db2.gz WWNJZUSTTGDZNU-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000459859267 650434243 /nfs/dbraw/zinc/43/42/43/650434243.db2.gz WWNJZUSTTGDZNU-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO C[N@H+]1CC[C@](O)(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000460255626 650440929 /nfs/dbraw/zinc/44/09/29/650440929.db2.gz GGLBXWUKEKVCKL-SFHVURJKSA-N 1 1 396.329 2.237 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc(Br)c1Cl ZINC000506349646 650444150 /nfs/dbraw/zinc/44/41/50/650444150.db2.gz PZKPHGWJGAQFNW-LBPRGKRZSA-N 1 1 388.693 2.172 20 0 GEADMO COc1cc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)ncn1 ZINC000461349818 650452360 /nfs/dbraw/zinc/45/23/60/650452360.db2.gz LNQSUNRMGNRKOX-UHFFFAOYSA-N 1 1 393.285 2.449 20 0 GEADMO CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F ZINC000461092780 650449202 /nfs/dbraw/zinc/44/92/02/650449202.db2.gz YOCMOOVQDCGINO-HUBLWGQQSA-N 1 1 390.908 2.459 20 0 GEADMO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F ZINC000461092781 650449234 /nfs/dbraw/zinc/44/92/34/650449234.db2.gz YOCMOOVQDCGINO-JMSVASOKSA-N 1 1 390.908 2.459 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000461617873 650457303 /nfs/dbraw/zinc/45/73/03/650457303.db2.gz HROGCJGUHYLNSN-LLVKDONJSA-N 1 1 390.347 2.477 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000507349985 650459238 /nfs/dbraw/zinc/45/92/38/650459238.db2.gz XFLZFNLZYBJMSQ-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000507349985 650459241 /nfs/dbraw/zinc/45/92/41/650459241.db2.gz XFLZFNLZYBJMSQ-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)[C@@H](C)C1 ZINC000507431089 650460365 /nfs/dbraw/zinc/46/03/65/650460365.db2.gz UUQYKMYYIXQINA-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)[C@@H](C)C1 ZINC000507431089 650460366 /nfs/dbraw/zinc/46/03/66/650460366.db2.gz UUQYKMYYIXQINA-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO Cc1nc(C(F)(F)F)sc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000462127427 650470184 /nfs/dbraw/zinc/47/01/84/650470184.db2.gz DPAKPIQUDABEME-UHFFFAOYSA-N 1 1 378.464 2.474 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000462545549 650483863 /nfs/dbraw/zinc/48/38/63/650483863.db2.gz XLASBPXOXDSPTM-AWEZNQCLSA-N 1 1 386.470 2.255 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC000462539271 650483283 /nfs/dbraw/zinc/48/32/83/650483283.db2.gz VUORZSPLLAGEFD-OAHLLOKOSA-N 1 1 382.507 2.424 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000508970958 650485004 /nfs/dbraw/zinc/48/50/04/650485004.db2.gz RRICKARUIBTTED-AWEZNQCLSA-N 1 1 398.301 2.387 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462851925 650491431 /nfs/dbraw/zinc/49/14/31/650491431.db2.gz BVORSMRMOBRMKQ-NWDGAFQWSA-N 1 1 398.301 2.304 20 0 GEADMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346235 650493825 /nfs/dbraw/zinc/49/38/25/650493825.db2.gz SQBQHDBYWNQUJW-MRXNPFEDSA-N 1 1 385.599 2.445 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346235 650493827 /nfs/dbraw/zinc/49/38/27/650493827.db2.gz SQBQHDBYWNQUJW-MRXNPFEDSA-N 1 1 385.599 2.445 20 0 GEADMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346232 650493847 /nfs/dbraw/zinc/49/38/47/650493847.db2.gz SQBQHDBYWNQUJW-INIZCTEOSA-N 1 1 385.599 2.445 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(SC)c1 ZINC000509346232 650493849 /nfs/dbraw/zinc/49/38/49/650493849.db2.gz SQBQHDBYWNQUJW-INIZCTEOSA-N 1 1 385.599 2.445 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000509634936 650498117 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Cc1c(Br)cc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(=O)n1C ZINC000469500573 650510760 /nfs/dbraw/zinc/51/07/60/650510760.db2.gz YIZSPIAZSAGTQQ-CQSZACIVSA-N 1 1 396.329 2.260 20 0 GEADMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000510078779 650506681 /nfs/dbraw/zinc/50/66/81/650506681.db2.gz LRUPMXFOTPPMFB-QWRGUYRKSA-N 1 1 376.238 2.321 20 0 GEADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccoc1Br ZINC000468780445 650506886 /nfs/dbraw/zinc/50/68/86/650506886.db2.gz BKRFHZWQKFQLPF-UHFFFAOYSA-N 1 1 393.285 2.379 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1I ZINC000468798277 650507688 /nfs/dbraw/zinc/50/76/88/650507688.db2.gz COSLMUOYPUPXDK-GFCCVEGCSA-N 1 1 388.249 2.271 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000469336805 650509346 /nfs/dbraw/zinc/50/93/46/650509346.db2.gz POOIVTXABMOTSW-ZDUSSCGKSA-N 1 1 388.917 2.294 20 0 GEADMO C[C@H]1C[N@H+](C)CCN1C(=O)CCOc1cccc(I)c1 ZINC000469410832 650509881 /nfs/dbraw/zinc/50/98/81/650509881.db2.gz 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COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000474085010 650526870 /nfs/dbraw/zinc/52/68/70/650526870.db2.gz WBEYGDPSSQBYAC-CQSZACIVSA-N 1 1 380.432 2.403 20 0 GEADMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCNS(=O)(=O)CCCOC)C12CCCCC2 ZINC000475352464 650532163 /nfs/dbraw/zinc/53/21/63/650532163.db2.gz DFAFIKLEMFPBAD-IAGOWNOFSA-N 1 1 376.563 2.002 20 0 GEADMO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000475530225 650534798 /nfs/dbraw/zinc/53/47/98/650534798.db2.gz NHGDHKFXQFJYNR-CQSZACIVSA-N 1 1 392.924 2.442 20 0 GEADMO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000475530225 650534802 /nfs/dbraw/zinc/53/48/02/650534802.db2.gz NHGDHKFXQFJYNR-CQSZACIVSA-N 1 1 392.924 2.442 20 0 GEADMO CN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000511575039 650538899 /nfs/dbraw/zinc/53/88/99/650538899.db2.gz MFYLDXDMRQEVMN-WCQYABFASA-N 1 1 391.693 2.005 20 0 GEADMO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000511714201 650541262 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COc1cc(C)c(Br)cc1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000512309936 650546009 /nfs/dbraw/zinc/54/60/09/650546009.db2.gz OGTCLFHVIPRKQG-CYBMUJFWSA-N 1 1 398.345 2.379 20 0 GEADMO CC(C)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512185719 650546163 /nfs/dbraw/zinc/54/61/63/650546163.db2.gz RTDPGGSKBSKQMF-OAHLLOKOSA-N 1 1 379.448 2.454 20 0 GEADMO Cc1cnn(C)c1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000512354674 650546797 /nfs/dbraw/zinc/54/67/97/650546797.db2.gz IKIYEMMAAXVTPY-UHFFFAOYSA-N 1 1 384.221 2.061 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[N@@H+]1C ZINC000513088632 650557682 /nfs/dbraw/zinc/55/76/82/650557682.db2.gz KMRPHPJLAADHDX-DVOMOZLQSA-N 1 1 394.313 2.353 20 0 GEADMO CCC[NH+]1CCN(C(=O)c2ccc(OC)c(I)c2)CC1 ZINC000477176898 650570632 /nfs/dbraw/zinc/57/06/32/650570632.db2.gz LYVNZJPTIXPLLT-UHFFFAOYSA-N 1 1 388.249 2.468 20 0 GEADMO C[N@@H+](CC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[C@@H]1CCSC1 ZINC000478138450 650583400 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O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000515299527 650591426 /nfs/dbraw/zinc/59/14/26/650591426.db2.gz MEGFSNXBKGFLHA-HOCLYGCPSA-N 1 1 388.327 2.397 20 0 GEADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000515299527 650591429 /nfs/dbraw/zinc/59/14/29/650591429.db2.gz MEGFSNXBKGFLHA-HOCLYGCPSA-N 1 1 388.327 2.397 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000479221513 650599512 /nfs/dbraw/zinc/59/95/12/650599512.db2.gz GGPDZFQMJUEWHV-QGZVFWFLSA-N 1 1 385.295 2.383 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000479964660 650613479 /nfs/dbraw/zinc/61/34/79/650613479.db2.gz IZONFMURJFPSGG-KBPBESRZSA-N 1 1 396.329 2.416 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000520747178 650616233 /nfs/dbraw/zinc/61/62/33/650616233.db2.gz OORPUVZXPJPKTA-DAYGRLMNSA-N 1 1 385.346 2.394 20 0 GEADMO C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000522069719 650621978 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C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc(Br)ccc1=O ZINC000522693168 650626821 /nfs/dbraw/zinc/62/68/21/650626821.db2.gz KYPDEVILUCBCFJ-UKRRQHHQSA-N 1 1 382.302 2.086 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)c1cccs1 ZINC000524235565 650639639 /nfs/dbraw/zinc/63/96/39/650639639.db2.gz GXBWUUGUJOOCOG-LLVKDONJSA-N 1 1 390.328 2.487 20 0 GEADMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000525293197 650652988 /nfs/dbraw/zinc/65/29/88/650652988.db2.gz CRQNQWPQICCLNH-BBRMVZONSA-N 1 1 394.313 2.260 20 0 GEADMO Cc1cnc(CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000525293593 650653083 /nfs/dbraw/zinc/65/30/83/650653083.db2.gz DFLOQCILWMXKJQ-AWEZNQCLSA-N 1 1 379.555 2.301 20 0 GEADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000481574653 650649593 /nfs/dbraw/zinc/64/95/93/650649593.db2.gz XAIJNXGQZLZMJE-QGZVFWFLSA-N 1 1 396.304 2.469 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000525088433 650649604 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2.453 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000482819864 650669133 /nfs/dbraw/zinc/66/91/33/650669133.db2.gz CNCFHZISQWLXBB-HNNXBMFYSA-N 1 1 387.274 2.134 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000482819864 650669135 /nfs/dbraw/zinc/66/91/35/650669135.db2.gz CNCFHZISQWLXBB-HNNXBMFYSA-N 1 1 387.274 2.134 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)c2cn3ccnc3s2)c2cccs2)CC1 ZINC000527196084 650670740 /nfs/dbraw/zinc/67/07/40/650670740.db2.gz PJBWJBWZAPCGHP-ZDUSSCGKSA-N 1 1 375.523 2.176 20 0 GEADMO Cc1nccc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1Br ZINC000527339051 650673986 /nfs/dbraw/zinc/67/39/86/650673986.db2.gz LPGPRULRPZUZBC-CYBMUJFWSA-N 1 1 385.306 2.053 20 0 GEADMO C[C@H](CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(F)(F)F ZINC000483660875 650680537 /nfs/dbraw/zinc/68/05/37/650680537.db2.gz XIGVDXHLCFICNY-LLVKDONJSA-N 1 1 379.345 2.481 20 0 GEADMO CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)C(=O)N1CCOCC1 ZINC000527669823 650681626 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Cc1csc(NC(=O)C2CC[NH+](CC(=O)NCc3cccs3)CC2)n1 ZINC000047264038 642625760 /nfs/dbraw/zinc/62/57/60/642625760.db2.gz KBSAUUKHEAWFQW-UHFFFAOYSA-N 1 1 378.523 2.480 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)c1ccco1 ZINC000048732127 642660805 /nfs/dbraw/zinc/66/08/05/642660805.db2.gz NIXCZMUYZGTFIW-CYBMUJFWSA-N 1 1 380.242 2.400 20 0 GEADMO COc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(Br)c1 ZINC000533994247 650767986 /nfs/dbraw/zinc/76/79/86/650767986.db2.gz LUYBMEMHBSDFGY-UHFFFAOYSA-N 1 1 385.302 2.377 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000049751139 642671508 /nfs/dbraw/zinc/67/15/08/642671508.db2.gz XSGAWOMSALFNJG-CYBMUJFWSA-N 1 1 388.249 2.385 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049751139 642671516 /nfs/dbraw/zinc/67/15/16/642671516.db2.gz XSGAWOMSALFNJG-CYBMUJFWSA-N 1 1 388.249 2.385 20 0 GEADMO CCCC[N@@H+](CCO)CC(=O)Nc1cccc(I)c1 ZINC000049800654 642671778 /nfs/dbraw/zinc/67/17/78/642671778.db2.gz RGWGUPFYGHLIHF-UHFFFAOYSA-N 1 1 376.238 2.324 20 0 GEADMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000050123004 642676999 /nfs/dbraw/zinc/67/69/99/642676999.db2.gz PJQBCYGMPQYZNR-UHFFFAOYSA-N 1 1 387.933 2.147 20 0 GEADMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)C2)C1 ZINC000490559956 650776192 /nfs/dbraw/zinc/77/61/92/650776192.db2.gz VRMSTVSHOHHVHM-AWEZNQCLSA-N 1 1 395.269 2.444 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)c(F)cc3F)C2)C1 ZINC000490611655 650777354 /nfs/dbraw/zinc/77/73/54/650777354.db2.gz XPPRPIRWKYBIOF-CQSZACIVSA-N 1 1 395.269 2.444 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3F)C2)C1 ZINC000490625532 650777612 /nfs/dbraw/zinc/77/76/12/650777612.db2.gz KTOITSOSNTXOFV-CQSZACIVSA-N 1 1 382.379 2.441 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000052221689 642712438 /nfs/dbraw/zinc/71/24/38/642712438.db2.gz RDMFTNZOXVJANJ-UHFFFAOYSA-N 1 1 394.273 2.282 20 0 GEADMO CSCC[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1nnc2ccccn21 ZINC000534585122 650778135 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C[NH+]1CCN(C(=O)CCNC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000060432881 642836207 /nfs/dbraw/zinc/83/62/07/642836207.db2.gz JBXYFFZJHDRRFD-UHFFFAOYSA-N 1 1 375.325 2.444 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000535836042 650791381 /nfs/dbraw/zinc/79/13/81/650791381.db2.gz AKECXRAKVTWYDH-AWEZNQCLSA-N 1 1 392.297 2.180 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000063490109 642859350 /nfs/dbraw/zinc/85/93/50/642859350.db2.gz ZRYVGWJTVVNZGS-ZDUSSCGKSA-N 1 1 387.933 2.050 20 0 GEADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000063822509 642862876 /nfs/dbraw/zinc/86/28/76/642862876.db2.gz UVTRZAPWTDRPFE-HUUCEWRRSA-N 1 1 387.571 2.043 20 0 GEADMO Cc1[nH]nc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1Br ZINC000064346819 642873819 /nfs/dbraw/zinc/87/38/19/642873819.db2.gz PYSWTLAMTRYMBF-UHFFFAOYSA-N 1 1 385.306 2.055 20 0 GEADMO NC(=O)[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 ZINC000066940488 642954655 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COCC(COC)[NH+]1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000412444600 648049024 /nfs/dbraw/zinc/04/90/24/648049024.db2.gz LCMSTFWCMWKHQS-CQSZACIVSA-N 1 1 399.329 2.358 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CC[N@@H+](C)C1 ZINC000413896459 648082652 /nfs/dbraw/zinc/08/26/52/648082652.db2.gz SJKLTMKDIZBNDM-TZMCWYRMSA-N 1 1 383.286 2.116 20 0 GEADMO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414278523 648089421 /nfs/dbraw/zinc/08/94/21/648089421.db2.gz XDUKFVARUYJCPX-LBPRGKRZSA-N 1 1 390.347 2.061 20 0 GEADMO COC(=O)c1c(C)c(NC(=O)NCC(F)(F)C[NH3+])ccc1Br ZINC000415605265 648110312 /nfs/dbraw/zinc/11/03/12/648110312.db2.gz WWYVJRCERLAWJZ-UHFFFAOYSA-N 1 1 380.189 2.260 20 0 GEADMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416415198 648118656 /nfs/dbraw/zinc/11/86/56/648118656.db2.gz JMUBSWJBTXTXGA-UHFFFAOYSA-N 1 1 375.922 2.018 20 0 GEADMO Cc1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(F)cc1Br ZINC000416467683 648135319 /nfs/dbraw/zinc/13/53/19/648135319.db2.gz CNOUGKXWVNPPKO-UHFFFAOYSA-N 1 1 377.279 2.365 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416483530 648142761 /nfs/dbraw/zinc/14/27/61/648142761.db2.gz LXLFHSXLONPHGH-LBPRGKRZSA-N 1 1 389.949 2.407 20 0 GEADMO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000416485177 648143965 /nfs/dbraw/zinc/14/39/65/648143965.db2.gz ZRPRBDMKALNUBU-NSHDSACASA-N 1 1 375.922 2.015 20 0 GEADMO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H]3CC[N@@H+](C)C3)ccc2s1 ZINC000416494462 648147933 /nfs/dbraw/zinc/14/79/33/648147933.db2.gz ISJHUTVBVWFBGB-GFCCVEGCSA-N 1 1 382.507 2.308 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000416554432 648169892 /nfs/dbraw/zinc/16/98/92/648169892.db2.gz JTMVDQNHCRCKCR-GFCCVEGCSA-N 1 1 391.896 2.448 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000416554451 648169956 /nfs/dbraw/zinc/16/99/56/648169956.db2.gz JTMVDQNHCRCKCR-LBPRGKRZSA-N 1 1 391.896 2.448 20 0 GEADMO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417718817 648258363 /nfs/dbraw/zinc/25/83/63/648258363.db2.gz CATFTGIHXYPVEH-NSHDSACASA-N 1 1 393.289 2.033 20 0 GEADMO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417718817 648258369 /nfs/dbraw/zinc/25/83/69/648258369.db2.gz CATFTGIHXYPVEH-NSHDSACASA-N 1 1 393.289 2.033 20 0 GEADMO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417717185 648258414 /nfs/dbraw/zinc/25/84/14/648258414.db2.gz APRNDTSPHHOWPV-ZDUSSCGKSA-N 1 1 395.305 2.407 20 0 GEADMO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417717185 648258418 /nfs/dbraw/zinc/25/84/18/648258418.db2.gz APRNDTSPHHOWPV-ZDUSSCGKSA-N 1 1 395.305 2.407 20 0 GEADMO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417720071 648258895 /nfs/dbraw/zinc/25/88/95/648258895.db2.gz DJCMGNYJSWPMPY-GXFFZTMASA-N 1 1 393.289 2.031 20 0 GEADMO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417720071 648258900 /nfs/dbraw/zinc/25/89/00/648258900.db2.gz DJCMGNYJSWPMPY-GXFFZTMASA-N 1 1 393.289 2.031 20 0 GEADMO C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H](C)C[NH2+]1 ZINC000417742190 648260812 /nfs/dbraw/zinc/26/08/12/648260812.db2.gz ZSSUEIKEXGOBAO-QWRGUYRKSA-N 1 1 393.289 2.126 20 0 GEADMO C[C@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C)C[NH2+]1 ZINC000417742190 648260819 /nfs/dbraw/zinc/26/08/19/648260819.db2.gz ZSSUEIKEXGOBAO-QWRGUYRKSA-N 1 1 393.289 2.126 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418525196 648299874 /nfs/dbraw/zinc/29/98/74/648299874.db2.gz OJVCKRWIYMSWDD-LBPRGKRZSA-N 1 1 378.217 2.126 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418524775 648300037 /nfs/dbraw/zinc/30/00/37/648300037.db2.gz NYDVASRMSQIGSO-LBPRGKRZSA-N 1 1 378.217 2.126 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419130252 648335893 /nfs/dbraw/zinc/33/58/93/648335893.db2.gz ZMQJYKFEPZPVKR-ZDUSSCGKSA-N 1 1 387.839 2.317 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000419320408 648346535 /nfs/dbraw/zinc/34/65/35/648346535.db2.gz DRORSRTWXLMJGF-UONOGXRCSA-N 1 1 388.339 2.339 20 0 GEADMO Cc1cc(CNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000419505783 648355191 /nfs/dbraw/zinc/35/51/91/648355191.db2.gz KYBWPLRARUISLH-KBPBESRZSA-N 1 1 384.318 2.354 20 0 GEADMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 ZINC000420231279 648410640 /nfs/dbraw/zinc/41/06/40/648410640.db2.gz BTTMHZQAPRFGHW-HNNXBMFYSA-N 1 1 389.297 2.398 20 0 GEADMO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420760913 648452814 /nfs/dbraw/zinc/45/28/14/648452814.db2.gz GQBLLEVAFBYVOJ-GFCCVEGCSA-N 1 1 391.331 2.481 20 0 GEADMO CN(CC(=O)Nc1ccc(I)cc1)C[C@@H]1CCC[N@H+]1C ZINC000420999780 648461993 /nfs/dbraw/zinc/46/19/93/648461993.db2.gz JSJOTLOVPWJZHC-AWEZNQCLSA-N 1 1 387.265 2.256 20 0 GEADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCc3c2cccc3Br)CC1 ZINC000421202597 648470485 /nfs/dbraw/zinc/47/04/85/648470485.db2.gz OWWNGKUQBMRSCD-UHFFFAOYSA-N 1 1 392.297 2.106 20 0 GEADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421243376 648477669 /nfs/dbraw/zinc/47/76/69/648477669.db2.gz VCBAFJAWNUNOOA-LBPRGKRZSA-N 1 1 382.302 2.183 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000421300882 648486134 /nfs/dbraw/zinc/48/61/34/648486134.db2.gz PJBWHIWECROYPU-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC12CCSCC2)c1ccsc1 ZINC000421499771 648495108 /nfs/dbraw/zinc/49/51/08/648495108.db2.gz BDEHMCVAJFCMDF-GJZGRUSLSA-N 1 1 381.567 2.117 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000422087924 648520552 /nfs/dbraw/zinc/52/05/52/648520552.db2.gz RJZIBMOTBXHEJY-HZPDHXFCSA-N 1 1 394.313 2.117 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000422292476 648534712 /nfs/dbraw/zinc/53/47/12/648534712.db2.gz GZWOYGYBWIUXFB-UHFFFAOYSA-N 1 1 396.329 2.364 20 0 GEADMO COc1cc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946861 648578409 /nfs/dbraw/zinc/57/84/09/648578409.db2.gz PMWWKQNXLLXKFI-HOTGVXAUSA-N 1 1 385.302 2.323 20 0 GEADMO COc1cc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946862 648578530 /nfs/dbraw/zinc/57/85/30/648578530.db2.gz PMWWKQNXLLXKFI-HZPDHXFCSA-N 1 1 385.302 2.323 20 0 GEADMO Ic1ccc2c(c1)[C@@H](NC[C@@H]1C[NH2+]CCO1)CCCO2 ZINC000423513558 648593668 /nfs/dbraw/zinc/59/36/68/648593668.db2.gz CINASMLGYMSMTE-JSGCOSHPSA-N 1 1 388.249 2.083 20 0 GEADMO [NH3+]C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)C1CCCC1 ZINC000423970182 648606407 /nfs/dbraw/zinc/60/64/07/648606407.db2.gz WNOAUNOVMAZESR-ZDUSSCGKSA-N 1 1 398.248 2.415 20 0 GEADMO O=C(c1cccc(I)c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423975806 648606446 /nfs/dbraw/zinc/60/64/46/648606446.db2.gz UIAGTKAEZINXEP-HNNXBMFYSA-N 1 1 393.228 2.473 20 0 GEADMO C[C@H](CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1)[NH+](C)C ZINC000424581830 648635919 /nfs/dbraw/zinc/63/59/19/648635919.db2.gz HXPSWEUWKHUVNY-GFCCVEGCSA-N 1 1 391.331 2.069 20 0 GEADMO COc1ncc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000424662672 648636999 /nfs/dbraw/zinc/63/69/99/648636999.db2.gz JSVQTFCLDKZFAG-ZDUSSCGKSA-N 1 1 398.301 2.037 20 0 GEADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424662376 648637322 /nfs/dbraw/zinc/63/73/22/648637322.db2.gz YBTASLQCVBGGRI-GFCCVEGCSA-N 1 1 396.285 2.360 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@H](C)C1 ZINC000424804316 648648693 /nfs/dbraw/zinc/64/86/93/648648693.db2.gz ZTTZVGBWIZSHHM-NEPJUHHUSA-N 1 1 396.285 2.046 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@H](C)C1 ZINC000424804316 648648696 /nfs/dbraw/zinc/64/86/96/648648696.db2.gz ZTTZVGBWIZSHHM-NEPJUHHUSA-N 1 1 396.285 2.046 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000424992897 648659724 /nfs/dbraw/zinc/65/97/24/648659724.db2.gz UCUMCWJJFMCULD-UHFFFAOYSA-N 1 1 385.302 2.397 20 0 GEADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2nc3ccc(Br)cc3o2)C1 ZINC000425327181 648673195 /nfs/dbraw/zinc/67/31/95/648673195.db2.gz MOSHWPQOKIHQLM-AWEZNQCLSA-N 1 1 382.258 2.316 20 0 GEADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCc2nc3ccc(Br)cc3o2)C1 ZINC000425327181 648673200 /nfs/dbraw/zinc/67/32/00/648673200.db2.gz MOSHWPQOKIHQLM-AWEZNQCLSA-N 1 1 382.258 2.316 20 0 GEADMO COC(=O)c1cnc([C@@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000425484520 648679861 /nfs/dbraw/zinc/67/98/61/648679861.db2.gz JCAWDIRADUKWMW-LLVKDONJSA-N 1 1 384.479 2.063 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](C[C@H]2COCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000425505700 648682402 /nfs/dbraw/zinc/68/24/02/648682402.db2.gz CANQLCFMCSQVQT-HRCADAONSA-N 1 1 384.270 2.053 20 0 GEADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425515140 648683335 /nfs/dbraw/zinc/68/33/35/648683335.db2.gz WOHAXDPSKRZKDC-KNXALSJPSA-N 1 1 395.297 2.305 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000425517656 648683411 /nfs/dbraw/zinc/68/34/11/648683411.db2.gz LNIOCGPBAVFACM-UONOGXRCSA-N 1 1 379.258 2.264 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000425517656 648683419 /nfs/dbraw/zinc/68/34/19/648683419.db2.gz LNIOCGPBAVFACM-UONOGXRCSA-N 1 1 379.258 2.264 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CCCNC(C)=O)C[C@H]1c1ccc(Br)cc1 ZINC000425516913 648683742 /nfs/dbraw/zinc/68/37/42/648683742.db2.gz KBMILCMKPXGGMY-JKSUJKDBSA-N 1 1 383.286 2.164 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000426860350 648716638 /nfs/dbraw/zinc/71/66/38/648716638.db2.gz YUSSUIKFZBPHKM-ZDUSSCGKSA-N 1 1 388.331 2.209 20 0 GEADMO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000428550559 648736227 /nfs/dbraw/zinc/73/62/27/648736227.db2.gz RDLMNWWUWBCOJO-UHFFFAOYSA-N 1 1 380.466 2.491 20 0 GEADMO C[C@@H](CNC(=O)NC[C@@H](CO)Cc1ccccc1Br)[N@@H+](C)C1CC1 ZINC000428579088 648738539 /nfs/dbraw/zinc/73/85/39/648738539.db2.gz HZFKPGVWGQVPDQ-KBPBESRZSA-N 1 1 398.345 2.382 20 0 GEADMO C[C@H](CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1)[N@@H+](C)C1CC1 ZINC000428585662 648739553 /nfs/dbraw/zinc/73/95/53/648739553.db2.gz ZXGWOUZHFURBAU-UKRRQHHQSA-N 1 1 398.345 2.382 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000428606348 648741307 /nfs/dbraw/zinc/74/13/07/648741307.db2.gz ZOFSCPOGHAQXJK-UKPHBRMFSA-N 1 1 398.345 2.382 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429007290 648742141 /nfs/dbraw/zinc/74/21/41/648742141.db2.gz VGQLETVNDGCSCP-AWEZNQCLSA-N 1 1 399.264 2.200 20 0 GEADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429118902 648745156 /nfs/dbraw/zinc/74/51/56/648745156.db2.gz YUQFVQJIAJYXHK-WFASDCNBSA-N 1 1 385.917 2.367 20 0 GEADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429118902 648745163 /nfs/dbraw/zinc/74/51/63/648745163.db2.gz YUQFVQJIAJYXHK-WFASDCNBSA-N 1 1 385.917 2.367 20 0 GEADMO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000429294424 648749861 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ZINC000625570855 652356355 /nfs/dbraw/zinc/35/63/55/652356355.db2.gz IKNRBMVZDUSJFV-UHFFFAOYSA-N 1 1 390.272 2.485 20 0 GEADMO CN1CCC[N@H+](CCCNC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000625570855 652356362 /nfs/dbraw/zinc/35/63/62/652356362.db2.gz IKNRBMVZDUSJFV-UHFFFAOYSA-N 1 1 390.272 2.485 20 0 GEADMO CN1CCC[N@@H+](CCCNC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000625570855 652356367 /nfs/dbraw/zinc/35/63/67/652356367.db2.gz IKNRBMVZDUSJFV-UHFFFAOYSA-N 1 1 390.272 2.485 20 0 GEADMO Cn1ccc(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1 ZINC000579953200 652361293 /nfs/dbraw/zinc/36/12/93/652361293.db2.gz JVBXYQQMNSMBRP-ZDUSSCGKSA-N 1 1 376.404 2.020 20 0 GEADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000580020679 652363583 /nfs/dbraw/zinc/36/35/83/652363583.db2.gz XPMBJRGLEQUKTD-LBPRGKRZSA-N 1 1 380.290 2.488 20 0 GEADMO C[C@@H]1C[NH+](CCN(C)CC(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000659831742 652367159 /nfs/dbraw/zinc/36/71/59/652367159.db2.gz JVJMFMBFLDIDMU-ZIAGYGMSSA-N 1 1 384.318 2.429 20 0 GEADMO C[C@H]1C[NH+](CCN(CCO)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000659876727 652368905 /nfs/dbraw/zinc/36/89/05/652368905.db2.gz MOHVZOIISBIWHL-KBPBESRZSA-N 1 1 389.309 2.492 20 0 GEADMO C[C@H]1CN(CC[N@H+](CCO)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000659876727 652368907 /nfs/dbraw/zinc/36/89/07/652368907.db2.gz MOHVZOIISBIWHL-KBPBESRZSA-N 1 1 389.309 2.492 20 0 GEADMO C[C@H]1CN(CC[N@@H+](CCO)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000659876727 652368909 /nfs/dbraw/zinc/36/89/09/652368909.db2.gz MOHVZOIISBIWHL-KBPBESRZSA-N 1 1 389.309 2.492 20 0 GEADMO C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)[C@H](O)c1c(F)cccc1Cl ZINC000751902701 652370941 /nfs/dbraw/zinc/37/09/41/652370941.db2.gz RGCLNMZPIFBSBD-WBMJQRKESA-N 1 1 389.924 2.087 20 0 GEADMO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000625830396 652372810 /nfs/dbraw/zinc/37/28/10/652372810.db2.gz IGRNJVQOAUPBRI-CYBMUJFWSA-N 1 1 383.286 2.252 20 0 GEADMO COCCOC[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659965226 652374888 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/nfs/dbraw/zinc/38/30/04/652383004.db2.gz INVTYTJQTFESRJ-UHFFFAOYSA-N 1 1 379.258 2.207 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000580581417 652384709 /nfs/dbraw/zinc/38/47/09/652384709.db2.gz JYSUHQCDMXAWRA-UHFFFAOYSA-N 1 1 395.294 2.361 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000626209014 652385467 /nfs/dbraw/zinc/38/54/67/652385467.db2.gz AEOASMSTUDYVHK-UOAMXJAYSA-N 1 1 393.325 2.250 20 0 GEADMO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000752396952 652385577 /nfs/dbraw/zinc/38/55/77/652385577.db2.gz UOSORNZIVFLUFP-NEPJUHHUSA-N 1 1 386.279 2.220 20 0 GEADMO CC(C)c1n[nH]c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1Br ZINC000580708953 652389245 /nfs/dbraw/zinc/38/92/45/652389245.db2.gz VCVMRLQVTBVLIW-UHFFFAOYSA-N 1 1 398.349 2.242 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000580719902 652389962 /nfs/dbraw/zinc/38/99/62/652389962.db2.gz CRVHYPBDUUYEBV-CQSZACIVSA-N 1 1 386.334 2.216 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)NCCCN(C)CC[NH+](C)C ZINC000580719902 652389966 /nfs/dbraw/zinc/38/99/66/652389966.db2.gz CRVHYPBDUUYEBV-CQSZACIVSA-N 1 1 386.334 2.216 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000580740215 652390559 /nfs/dbraw/zinc/39/05/59/652390559.db2.gz PTDMAVOVJLUVMH-UHFFFAOYSA-N 1 1 386.334 2.379 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)NCCCN(C)CC[NH+](C)C ZINC000580740215 652390562 /nfs/dbraw/zinc/39/05/62/652390562.db2.gz PTDMAVOVJLUVMH-UHFFFAOYSA-N 1 1 386.334 2.379 20 0 GEADMO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000752785109 652393474 /nfs/dbraw/zinc/39/34/74/652393474.db2.gz PFGXXDHGJKBCLR-HZPDHXFCSA-N 1 1 383.583 2.187 20 0 GEADMO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000752785109 652393478 /nfs/dbraw/zinc/39/34/78/652393478.db2.gz PFGXXDHGJKBCLR-HZPDHXFCSA-N 1 1 383.583 2.187 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626562695 652396016 /nfs/dbraw/zinc/39/60/16/652396016.db2.gz 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CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000581208744 652406302 /nfs/dbraw/zinc/40/63/02/652406302.db2.gz XPLSDTZXQDFGPC-OAHLLOKOSA-N 1 1 396.329 2.398 20 0 GEADMO Cc1ccc2c(c1Br)CN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC000660638335 652408484 /nfs/dbraw/zinc/40/84/84/652408484.db2.gz JIQFBCIDQYIBIT-CQSZACIVSA-N 1 1 381.318 2.029 20 0 GEADMO COCC[NH2+]CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000627082666 652413683 /nfs/dbraw/zinc/41/36/83/652413683.db2.gz MTZYAKDLFUCMRF-HNNXBMFYSA-N 1 1 377.316 2.131 20 0 GEADMO COCC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@H](O)C(F)(F)F ZINC000660922483 652414701 /nfs/dbraw/zinc/41/47/01/652414701.db2.gz DPPLIBIMACIQDM-KBPBESRZSA-N 1 1 378.416 2.361 20 0 GEADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661140735 652420083 /nfs/dbraw/zinc/42/00/83/652420083.db2.gz JSSREUQCFDBQNX-GFCCVEGCSA-N 1 1 398.330 2.083 20 0 GEADMO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661147948 652421022 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CC[N@@H+]1CCN(C(=O)c2ccc3ncc(I)n3c2)C[C@H]1C ZINC000754198652 652429935 /nfs/dbraw/zinc/42/99/35/652429935.db2.gz YHSUNOORLDCLBD-LLVKDONJSA-N 1 1 398.248 2.105 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2ccc3ncc(I)n3c2)C[C@H]1C ZINC000754198652 652429938 /nfs/dbraw/zinc/42/99/38/652429938.db2.gz YHSUNOORLDCLBD-LLVKDONJSA-N 1 1 398.248 2.105 20 0 GEADMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000661400922 652431116 /nfs/dbraw/zinc/43/11/16/652431116.db2.gz ZUDNCKSXIVVPCI-CQSZACIVSA-N 1 1 387.933 2.286 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000661400922 652431118 /nfs/dbraw/zinc/43/11/18/652431118.db2.gz ZUDNCKSXIVVPCI-CQSZACIVSA-N 1 1 387.933 2.286 20 0 GEADMO Ic1ccccc1[C@@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000582003966 652431372 /nfs/dbraw/zinc/43/13/72/652431372.db2.gz WKDBVYAKQOQLPX-INIZCTEOSA-N 1 1 385.293 2.333 20 0 GEADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000582010779 652431606 /nfs/dbraw/zinc/43/16/06/652431606.db2.gz CONSJDBXHCXRRF-CYBMUJFWSA-N 1 1 380.842 2.188 20 0 GEADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627570633 652433009 /nfs/dbraw/zinc/43/30/09/652433009.db2.gz PRJRRBSUWDKILW-PWUKJLEFSA-N 1 1 393.325 2.298 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1cccc(Br)c1 ZINC000661599265 652434509 /nfs/dbraw/zinc/43/45/09/652434509.db2.gz SQEFDTULBNPPAB-DOMZBBRYSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H]1COCCO1 ZINC000661605545 652434909 /nfs/dbraw/zinc/43/49/09/652434909.db2.gz KHRTYOJMSZOHIK-BBRMVZONSA-N 1 1 385.302 2.143 20 0 GEADMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H]1COCCO1 ZINC000661605545 652434910 /nfs/dbraw/zinc/43/49/10/652434910.db2.gz KHRTYOJMSZOHIK-BBRMVZONSA-N 1 1 385.302 2.143 20 0 GEADMO CSC1(CN[C@@H](C(N)=O)c2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000582094724 652435256 /nfs/dbraw/zinc/43/52/56/652435256.db2.gz AVRLUNZJGVVXGY-CQSZACIVSA-N 1 1 386.359 2.393 20 0 GEADMO COC(=O)C[C@@](C)(NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000582150502 652437349 /nfs/dbraw/zinc/43/73/49/652437349.db2.gz DKWQLWJJTOIQPQ-SJLPKXTDSA-N 1 1 399.329 2.272 20 0 GEADMO COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000627828397 652440580 /nfs/dbraw/zinc/44/05/80/652440580.db2.gz ZRLPHUFPNUVXBU-LBPRGKRZSA-N 1 1 398.301 2.244 20 0 GEADMO COCC(COC)[NH+]1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000661804098 652440719 /nfs/dbraw/zinc/44/07/19/652440719.db2.gz WZZGSHXMKWCSNK-UHFFFAOYSA-N 1 1 390.311 2.482 20 0 GEADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1c(F)cc(Br)cc1F ZINC000582236305 652441551 /nfs/dbraw/zinc/44/15/51/652441551.db2.gz MKOOPELZRNZYRA-LBPRGKRZSA-N 1 1 385.212 2.248 20 0 GEADMO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000582295996 652444167 /nfs/dbraw/zinc/44/41/67/652444167.db2.gz CXCYETDNUCQLHQ-HOCLYGCPSA-N 1 1 382.913 2.028 20 0 GEADMO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662053445 652446766 /nfs/dbraw/zinc/44/67/66/652446766.db2.gz YFXQNWJMFBKHFG-ZDUSSCGKSA-N 1 1 386.279 2.481 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155105 652449431 /nfs/dbraw/zinc/44/94/31/652449431.db2.gz HPACPNLNSCPNSH-DYVFJYSZSA-N 1 1 396.329 2.307 20 0 GEADMO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122643 652452177 /nfs/dbraw/zinc/45/21/77/652452177.db2.gz GWDOYUCXUWCJTG-UHFFFAOYSA-N 1 1 393.285 2.262 20 0 GEADMO Cc1csc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1I ZINC000582486940 652452328 /nfs/dbraw/zinc/45/23/28/652452328.db2.gz UIZZWEYANHTKBA-GFCCVEGCSA-N 1 1 382.242 2.435 20 0 GEADMO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ncc1Br ZINC000628128105 652452347 /nfs/dbraw/zinc/45/23/47/652452347.db2.gz OTRZCISOBLLVPF-AWEZNQCLSA-N 1 1 382.302 2.223 20 0 GEADMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ncc1Br ZINC000628128105 652452350 /nfs/dbraw/zinc/45/23/50/652452350.db2.gz OTRZCISOBLLVPF-AWEZNQCLSA-N 1 1 382.302 2.223 20 0 GEADMO C[C@@]1(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCS1 ZINC000628152997 652453274 /nfs/dbraw/zinc/45/32/74/652453274.db2.gz WQTFDIJONRLIOX-KRWDZBQOSA-N 1 1 380.539 2.155 20 0 GEADMO CN(C)c1c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc(F)c1F ZINC000628271341 652457004 /nfs/dbraw/zinc/45/70/04/652457004.db2.gz WGZAWOOFFRQPMN-CYBMUJFWSA-N 1 1 375.485 2.134 20 0 GEADMO CN(C)c1c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc(F)c1F ZINC000628271341 652457006 /nfs/dbraw/zinc/45/70/06/652457006.db2.gz WGZAWOOFFRQPMN-CYBMUJFWSA-N 1 1 375.485 2.134 20 0 GEADMO Cc1cc(CN2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)on1 ZINC000662356080 652457185 /nfs/dbraw/zinc/45/71/85/652457185.db2.gz OULAHJMQVGCNHI-INIZCTEOSA-N 1 1 393.285 2.090 20 0 GEADMO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1Br ZINC000662387030 652458221 /nfs/dbraw/zinc/45/82/21/652458221.db2.gz CLVMIXBPPQGMDW-BBRMVZONSA-N 1 1 394.313 2.214 20 0 GEADMO CC[NH+]1CCC(CNC(=O)c2cccc(I)c2O)CC1 ZINC000755139538 652458225 /nfs/dbraw/zinc/45/82/25/652458225.db2.gz AJSXNSNBWQVNHX-UHFFFAOYSA-N 1 1 388.249 2.459 20 0 GEADMO O=C(NC[C@H](O)COc1ccccc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662382711 652458386 /nfs/dbraw/zinc/45/83/86/652458386.db2.gz BMFGJBZQLRFRNQ-JTQLQIEISA-N 1 1 397.294 2.284 20 0 GEADMO CC[N@H+](CCNC(=O)c1cccc(I)c1O)C(C)C ZINC000755324062 652463000 /nfs/dbraw/zinc/46/30/00/652463000.db2.gz KNCGXIVHOLDQGG-UHFFFAOYSA-N 1 1 376.238 2.457 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cccc(I)c1O)C(C)C ZINC000755324062 652463002 /nfs/dbraw/zinc/46/30/02/652463002.db2.gz KNCGXIVHOLDQGG-UHFFFAOYSA-N 1 1 376.238 2.457 20 0 GEADMO CC(C)(C)N1C[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1=O ZINC000662487348 652463727 /nfs/dbraw/zinc/46/37/27/652463727.db2.gz RJLQRSKMFSPDBV-QMMMGPOBSA-N 1 1 386.315 2.243 20 0 GEADMO C[NH2+][C@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662481578 652463758 /nfs/dbraw/zinc/46/37/58/652463758.db2.gz JQMCFNSGJHLISF-VMGRFDJRSA-N 1 1 386.323 2.433 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628585394 652463805 /nfs/dbraw/zinc/46/38/05/652463805.db2.gz CVTYBRLGTHQDEA-ZDUSSCGKSA-N 1 1 377.794 2.428 20 0 GEADMO C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1nnc2n1CCC2 ZINC000662524587 652466011 /nfs/dbraw/zinc/46/60/11/652466011.db2.gz MFIWNWRRGGALJP-ZETCQYMHSA-N 1 1 382.287 2.143 20 0 GEADMO CC[N@@H+](CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000628682539 652468533 /nfs/dbraw/zinc/46/85/33/652468533.db2.gz OPPXKXNQZGUONC-SFHVURJKSA-N 1 1 381.314 2.269 20 0 GEADMO C[C@H](C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[NH+]1CCSCC1 ZINC000628741823 652469410 /nfs/dbraw/zinc/46/94/10/652469410.db2.gz RYHKWUSIZPGLEO-RHSMWYFYSA-N 1 1 383.945 2.099 20 0 GEADMO CCN1CCN([C@H](C)C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000583172384 652475089 /nfs/dbraw/zinc/47/50/89/652475089.db2.gz CRNIOSABQFFXGI-CQSZACIVSA-N 1 1 380.334 2.212 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1Br ZINC000662824798 652475807 /nfs/dbraw/zinc/47/58/07/652475807.db2.gz YBRVEEZNDLKHAT-MRXNPFEDSA-N 1 1 393.260 2.332 20 0 GEADMO C[NH2+][C@H](C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1cccc(Cl)c1Cl ZINC000662915759 652478226 /nfs/dbraw/zinc/47/82/26/652478226.db2.gz PAHCCWGQLGBJDW-ABAIWWIYSA-N 1 1 387.311 2.468 20 0 GEADMO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000756097340 652487589 /nfs/dbraw/zinc/48/75/89/652487589.db2.gz KPCFEEVHNOORQF-HIFRSBDPSA-N 1 1 379.302 2.350 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCC1 ZINC000629946146 652500038 /nfs/dbraw/zinc/50/00/38/652500038.db2.gz WLZIONDHGCKYAI-UHFFFAOYSA-N 1 1 380.495 2.367 20 0 GEADMO CN(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCC1 ZINC000629946146 652500045 /nfs/dbraw/zinc/50/00/45/652500045.db2.gz WLZIONDHGCKYAI-UHFFFAOYSA-N 1 1 380.495 2.367 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1Br ZINC000583869102 652500332 /nfs/dbraw/zinc/50/03/32/652500332.db2.gz XEKOVOSEIWUZET-NSHDSACASA-N 1 1 390.709 2.311 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1Br ZINC000583869102 652500338 /nfs/dbraw/zinc/50/03/38/652500338.db2.gz XEKOVOSEIWUZET-NSHDSACASA-N 1 1 390.709 2.311 20 0 GEADMO C[C@](O)(CNc1cc(C(F)(F)F)c(Br)cn1)C[NH+]1CCOCC1 ZINC000583931504 652503165 /nfs/dbraw/zinc/50/31/65/652503165.db2.gz QTCCQLNJSHNJPS-ZDUSSCGKSA-N 1 1 398.223 2.358 20 0 GEADMO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584005536 652505874 /nfs/dbraw/zinc/50/58/74/652505874.db2.gz XBKVQDBBOJPGDX-VHSXEESVSA-N 1 1 395.294 2.358 20 0 GEADMO O=c1cc(C[N@H+](CCO)[C@H]2CCCSC2)nc2ccc(Br)cn12 ZINC000584091008 652508476 /nfs/dbraw/zinc/50/84/76/652508476.db2.gz YXLVTDWZQFPBRW-AWEZNQCLSA-N 1 1 398.326 2.147 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663739341 652510748 /nfs/dbraw/zinc/51/07/48/652510748.db2.gz KJKNTVZZHFZFTQ-CQSZACIVSA-N 1 1 394.317 2.035 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000584276697 652514883 /nfs/dbraw/zinc/51/48/83/652514883.db2.gz XKXSYDBQCGTZLU-NSHDSACASA-N 1 1 388.331 2.089 20 0 GEADMO O=C(NCc1n[nH]cc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584319430 652516452 /nfs/dbraw/zinc/51/64/52/652516452.db2.gz CGQFAHWFEISHAJ-UHFFFAOYSA-N 1 1 378.274 2.200 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1)S(C)(=O)=O ZINC000584343889 652517345 /nfs/dbraw/zinc/51/73/45/652517345.db2.gz RIJLYCVXHKCBDL-AWEZNQCLSA-N 1 1 380.539 2.309 20 0 GEADMO NS(=O)(=O)c1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000631034203 652518412 /nfs/dbraw/zinc/51/84/12/652518412.db2.gz OOWMPIRJVAWEBR-MRXNPFEDSA-N 1 1 379.913 2.352 20 0 GEADMO NS(=O)(=O)c1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000631034203 652518413 /nfs/dbraw/zinc/51/84/13/652518413.db2.gz OOWMPIRJVAWEBR-MRXNPFEDSA-N 1 1 379.913 2.352 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631119197 652520803 /nfs/dbraw/zinc/52/08/03/652520803.db2.gz MJMZWNKWWUDSSE-NSHDSACASA-N 1 1 381.420 2.011 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)C1 ZINC000664184828 652522463 /nfs/dbraw/zinc/52/24/63/652522463.db2.gz WCRYKNWNIAIDDL-IUODEOHRSA-N 1 1 390.311 2.389 20 0 GEADMO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc[nH+]c4ccc(Br)cc43)C[C@H]21 ZINC000664493893 652528979 /nfs/dbraw/zinc/52/89/79/652528979.db2.gz UEGYLNGXEMJJQI-MAZHCROVSA-N 1 1 397.294 2.246 20 0 GEADMO COc1ccc(Br)cc1CN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631651676 652529650 /nfs/dbraw/zinc/52/96/50/652529650.db2.gz GNQNTXOSCJVCHZ-UHFFFAOYSA-N 1 1 391.331 2.314 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758299647 652536485 /nfs/dbraw/zinc/53/64/85/652536485.db2.gz DAUQIBVWKNPFOJ-CYBMUJFWSA-N 1 1 399.276 2.490 20 0 GEADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccnc2I)C1 ZINC000758323946 652537394 /nfs/dbraw/zinc/53/73/94/652537394.db2.gz IXXOUONJRQGHDK-GFCCVEGCSA-N 1 1 387.265 2.394 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337830 652537633 /nfs/dbraw/zinc/53/76/33/652537633.db2.gz SWILWVMZUPOGAG-HZMBPMFUSA-N 1 1 376.400 2.193 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758337830 652537637 /nfs/dbraw/zinc/53/76/37/652537637.db2.gz SWILWVMZUPOGAG-HZMBPMFUSA-N 1 1 376.400 2.193 20 0 GEADMO O=S(=O)(Cc1ncsc1Br)N1CC[NH2+]Cc2ccccc21 ZINC000631903887 652539430 /nfs/dbraw/zinc/53/94/30/652539430.db2.gz XQVWGERZEXTXOV-UHFFFAOYSA-N 1 1 388.312 2.345 20 0 GEADMO C[C@H](CNC(=O)NCCSCc1ccnc(Cl)c1)C[NH+]1CCOCC1 ZINC000758504761 652544717 /nfs/dbraw/zinc/54/47/17/652544717.db2.gz PFZJJPSWPBQZOQ-CQSZACIVSA-N 1 1 386.949 2.236 20 0 GEADMO CCN(C(=O)NCc1cc(OC)c(O)cc1Br)[C@@H]1CC[N@@H+](C)C1 ZINC000665214989 652547896 /nfs/dbraw/zinc/54/78/96/652547896.db2.gz LCRSTCWZGZBEIF-GFCCVEGCSA-N 1 1 386.290 2.399 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(OC)c(O)cc2Br)C1 ZINC000665215429 652548202 /nfs/dbraw/zinc/54/82/02/652548202.db2.gz VIKULWXXFZAUMI-GFCCVEGCSA-N 1 1 386.290 2.447 20 0 GEADMO CN1CC[NH+](CCCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000588231079 652551025 /nfs/dbraw/zinc/55/10/25/652551025.db2.gz AGWGOLKDKLOYLR-UHFFFAOYSA-N 1 1 382.346 2.480 20 0 GEADMO CN(Cc1ccc(F)cc1Br)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632271356 652554220 /nfs/dbraw/zinc/55/42/20/652554220.db2.gz QGEAIRUEMQURQZ-UHFFFAOYSA-N 1 1 379.295 2.444 20 0 GEADMO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759048638 652561253 /nfs/dbraw/zinc/56/12/53/652561253.db2.gz LLZIJXQZLBBKEL-MRXNPFEDSA-N 1 1 378.897 2.306 20 0 GEADMO COc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2C)c(Br)c1 ZINC000589232848 652563107 /nfs/dbraw/zinc/56/31/07/652563107.db2.gz JZSZFDVXXWILNT-UHFFFAOYSA-N 1 1 395.257 2.108 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000632479011 652566316 /nfs/dbraw/zinc/56/63/16/652566316.db2.gz WKXDGAFZTRFILV-AWEZNQCLSA-N 1 1 389.315 2.172 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000590116001 652575030 /nfs/dbraw/zinc/57/50/30/652575030.db2.gz POMUZSTYPWJBLA-CQSZACIVSA-N 1 1 385.295 2.411 20 0 GEADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c(F)cncc2Br)CC1 ZINC000632738684 652575918 /nfs/dbraw/zinc/57/59/18/652575918.db2.gz TZYKKMNKWPVCHN-UHFFFAOYSA-N 1 1 382.237 2.116 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000666427177 652576481 /nfs/dbraw/zinc/57/64/81/652576481.db2.gz PASSRVOMXWJTHG-GFCCVEGCSA-N 1 1 393.289 2.029 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666455199 652577463 /nfs/dbraw/zinc/57/74/63/652577463.db2.gz SJKQGHXFNPKZKQ-AAEUAGOBSA-N 1 1 379.258 2.388 20 0 GEADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1sccc1S(N)(=O)=O ZINC000666534412 652579199 /nfs/dbraw/zinc/57/91/99/652579199.db2.gz SETAQPRHNDPJNL-UHFFFAOYSA-N 1 1 381.523 2.166 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)s1 ZINC000666638994 652581698 /nfs/dbraw/zinc/58/16/98/652581698.db2.gz SULUNBNEEYARMZ-PHIMTYICSA-N 1 1 390.347 2.416 20 0 GEADMO COCC[NH+]1CCN(C(=O)NCc2sc(C)cc2Br)CC1 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CC[C@@H]1CN(C(=O)c2c(Br)nnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000811047666 653370926 /nfs/dbraw/zinc/37/09/26/653370926.db2.gz VBPCBCIFZMNHBU-CQSZACIVSA-N 1 1 392.301 2.314 20 0 GEADMO CC[C@@H]1CN(C(=O)c2c(Br)nnn2C)CC[N@H+]1Cc1ccccc1 ZINC000811047666 653370927 /nfs/dbraw/zinc/37/09/27/653370927.db2.gz VBPCBCIFZMNHBU-CQSZACIVSA-N 1 1 392.301 2.314 20 0 GEADMO Cc1csc([C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C(F)(F)F)n1 ZINC000836707099 653372135 /nfs/dbraw/zinc/37/21/35/653372135.db2.gz NWPKBJDJDPFVAI-TUAOUCFPSA-N 1 1 378.420 2.217 20 0 GEADMO O=Cc1cnc2c(Br)cc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cn12 ZINC000858677329 653374493 /nfs/dbraw/zinc/37/44/93/653374493.db2.gz GKVLZHIXUKZPCH-NSHDSACASA-N 1 1 391.269 2.123 20 0 GEADMO Cc1cc(Br)nc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000836761060 653375115 /nfs/dbraw/zinc/37/51/15/653375115.db2.gz YVCMTAIIMIRARH-ZDUSSCGKSA-N 1 1 384.322 2.158 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)c2ccsc2S1(=O)=O ZINC000875610213 653379902 /nfs/dbraw/zinc/37/99/02/653379902.db2.gz XPONVEYUNMEUBM-JSGCOSHPSA-N 1 1 385.555 2.481 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c2ccsc2S1(=O)=O ZINC000875610213 653379910 /nfs/dbraw/zinc/37/99/10/653379910.db2.gz XPONVEYUNMEUBM-JSGCOSHPSA-N 1 1 385.555 2.481 20 0 GEADMO O=C(NC[C@H]1C[C@H](O)C1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000875673151 653383230 /nfs/dbraw/zinc/38/32/30/653383230.db2.gz AQWDCPJOEZWVJO-CZIWCDLHSA-N 1 1 396.329 2.484 20 0 GEADMO C[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)[N@H+]1CCC[C@H](C)C1 ZINC000858902994 653384370 /nfs/dbraw/zinc/38/43/70/653384370.db2.gz YPQYQLPCBLWWID-WDEREUQCSA-N 1 1 394.310 2.382 20 0 GEADMO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000836869734 653384558 /nfs/dbraw/zinc/38/45/58/653384558.db2.gz RSOOOMUSXSMSMP-OZVIIMIRSA-N 1 1 375.296 2.330 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@H](C)[N@H+]1CCO ZINC000836867236 653384756 /nfs/dbraw/zinc/38/47/56/653384756.db2.gz JEVRQHUOGMUAQJ-AOOOYVTPSA-N 1 1 376.682 2.025 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@H](C)[N@@H+]1CCO ZINC000836867236 653384758 /nfs/dbraw/zinc/38/47/58/653384758.db2.gz JEVRQHUOGMUAQJ-AOOOYVTPSA-N 1 1 376.682 2.025 20 0 GEADMO COC(=O)Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2C)cc1Cl ZINC000858912809 653384788 /nfs/dbraw/zinc/38/47/88/653384788.db2.gz XVANUHMJEORXFF-UHFFFAOYSA-N 1 1 386.861 2.392 20 0 GEADMO O=C(NCc1ncc(Cl)s1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000875765144 653388964 /nfs/dbraw/zinc/38/89/64/653388964.db2.gz HLCOWCCSNHMOLT-CYBMUJFWSA-N 1 1 384.933 2.326 20 0 GEADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)OCc2ncsc2Br)cn1 ZINC000875799806 653391389 /nfs/dbraw/zinc/39/13/89/653391389.db2.gz WVSTYMGHBSZMKR-VXGBXAGGSA-N 1 1 399.314 2.418 20 0 GEADMO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cn1c[nH+]cc1C ZINC000859056298 653398081 /nfs/dbraw/zinc/39/80/81/653398081.db2.gz OCBOMVXWKVIAMB-UHFFFAOYSA-N 1 1 377.344 2.132 20 0 GEADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000811602147 653398927 /nfs/dbraw/zinc/39/89/27/653398927.db2.gz VWZOVZFNGSUZAS-ZDUSSCGKSA-N 1 1 387.933 2.338 20 0 GEADMO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)cc1Cl ZINC000859113785 653406982 /nfs/dbraw/zinc/40/69/82/653406982.db2.gz RTUQSHOHZWDSSO-UHFFFAOYSA-N 1 1 375.878 2.233 20 0 GEADMO Cc1c(Cl)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)sc1S(N)(=O)=O ZINC000837160911 653407176 /nfs/dbraw/zinc/40/71/76/653407176.db2.gz XWJSEUWROBYHFT-LBPRGKRZSA-N 1 1 399.925 2.144 20 0 GEADMO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1Cl ZINC000859120898 653408895 /nfs/dbraw/zinc/40/88/95/653408895.db2.gz LQXCBWWOODVJKI-LLVKDONJSA-N 1 1 375.878 2.281 20 0 GEADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](O)c1ccccc1Br)C2 ZINC000837196687 653410213 /nfs/dbraw/zinc/41/02/13/653410213.db2.gz KAGJHBLCHUWJFK-BLLLJJGKSA-N 1 1 378.270 2.366 20 0 GEADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1Br)C2 ZINC000837196692 653410558 /nfs/dbraw/zinc/41/05/58/653410558.db2.gz KAGJHBLCHUWJFK-MLGOLLRUSA-N 1 1 378.270 2.366 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000811969788 653414237 /nfs/dbraw/zinc/41/42/37/653414237.db2.gz KDCZECVGHPZEJX-ZDUSSCGKSA-N 1 1 376.469 2.462 20 0 GEADMO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000859168019 653415649 /nfs/dbraw/zinc/41/56/49/653415649.db2.gz HIYSRWXKKUOYCO-MRXNPFEDSA-N 1 1 387.889 2.235 20 0 GEADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000812310619 653421706 /nfs/dbraw/zinc/42/17/06/653421706.db2.gz KKWDSFLPAUWRJU-CYBMUJFWSA-N 1 1 387.933 2.193 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2ncc(Cl)s2)CC1 ZINC000876367954 653425879 /nfs/dbraw/zinc/42/58/79/653425879.db2.gz ROAFLTKLLVOMQI-OKILXGFUSA-N 1 1 385.965 2.497 20 0 GEADMO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000859254251 653429368 /nfs/dbraw/zinc/42/93/68/653429368.db2.gz RQMXGYZMFZMILO-OLZOCXBDSA-N 1 1 375.416 2.365 20 0 GEADMO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000778211684 653434721 /nfs/dbraw/zinc/43/47/21/653434721.db2.gz FWILCBXBJOHPAK-CQSZACIVSA-N 1 1 396.285 2.202 20 0 GEADMO Cn1ncc2cc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)cnc21 ZINC000876572505 653436689 /nfs/dbraw/zinc/43/66/89/653436689.db2.gz FHOAFHHGLYTHBN-UHFFFAOYSA-N 1 1 387.285 2.448 20 0 GEADMO NS(=O)(=O)c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1Br ZINC000876633862 653439141 /nfs/dbraw/zinc/43/91/41/653439141.db2.gz VRFFLUFGDKMOKV-UHFFFAOYSA-N 1 1 399.314 2.199 20 0 GEADMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000837479083 653441567 /nfs/dbraw/zinc/44/15/67/653441567.db2.gz CUNRRRHHENXZCJ-CQSZACIVSA-N 1 1 386.539 2.232 20 0 GEADMO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876677824 653442064 /nfs/dbraw/zinc/44/20/64/653442064.db2.gz VTOBRABPIJRRJC-MJBXVCDLSA-N 1 1 378.416 2.177 20 0 GEADMO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000812955343 653446658 /nfs/dbraw/zinc/44/66/58/653446658.db2.gz GQJKZLSVRLFLDX-QWHCGFSZSA-N 1 1 397.317 2.470 20 0 GEADMO CCc1[nH]nc(Cl)c1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000859351894 653447904 /nfs/dbraw/zinc/44/79/04/653447904.db2.gz JHESWNWJZFGAMV-CYBMUJFWSA-N 1 1 381.933 2.406 20 0 GEADMO N[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000876954113 653455904 /nfs/dbraw/zinc/45/59/04/653455904.db2.gz CSPTUCVHBFQCBG-SJORKVTESA-N 1 1 396.329 2.162 20 0 GEADMO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000877033496 653462620 /nfs/dbraw/zinc/46/26/20/653462620.db2.gz CAYMSLUHDIDZPB-MRXNPFEDSA-N 1 1 396.329 2.162 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000877140356 653468322 /nfs/dbraw/zinc/46/83/22/653468322.db2.gz SILVQCRISBTILX-KRWDZBQOSA-N 1 1 384.860 2.220 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000877140356 653468323 /nfs/dbraw/zinc/46/83/23/653468323.db2.gz SILVQCRISBTILX-KRWDZBQOSA-N 1 1 384.860 2.220 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859556124 653474515 /nfs/dbraw/zinc/47/45/15/653474515.db2.gz FWNIIPIDTAVIRN-NHYWBVRUSA-N 1 1 393.285 2.322 20 0 GEADMO O=C(NCCNc1cccc(Br)c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000779350556 653475582 /nfs/dbraw/zinc/47/55/82/653475582.db2.gz JNXWRWIVTCAYOW-HOTGVXAUSA-N 1 1 397.317 2.023 20 0 GEADMO OCC[N@H+](Cc1cccc(F)c1I)C1CCOCC1 ZINC000877459196 653519581 /nfs/dbraw/zinc/51/95/81/653519581.db2.gz DRAPRTHHKOFDFP-UHFFFAOYSA-N 1 1 379.213 2.404 20 0 GEADMO OCC[N@@H+](Cc1cccc(F)c1I)C1CCOCC1 ZINC000877459196 653519602 /nfs/dbraw/zinc/51/96/02/653519602.db2.gz DRAPRTHHKOFDFP-UHFFFAOYSA-N 1 1 379.213 2.404 20 0 GEADMO C[N@H+](Cc1cccc(F)c1I)C1(CO)CCOCC1 ZINC000877643522 653615269 /nfs/dbraw/zinc/61/52/69/653615269.db2.gz GDDKVEFBHXTKLL-UHFFFAOYSA-N 1 1 379.213 2.404 20 0 GEADMO C[N@@H+](Cc1cccc(F)c1I)C1(CO)CCOCC1 ZINC000877643522 653615271 /nfs/dbraw/zinc/61/52/71/653615271.db2.gz GDDKVEFBHXTKLL-UHFFFAOYSA-N 1 1 379.213 2.404 20 0 GEADMO Cc1ccc(Br)c(F)c1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000877526186 653610759 /nfs/dbraw/zinc/61/07/59/653610759.db2.gz FXPLBUYGORUHLE-UHFFFAOYSA-N 1 1 384.249 2.413 20 0 GEADMO CSc1ccc(/C=C\C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000859913436 653611825 /nfs/dbraw/zinc/61/18/25/653611825.db2.gz FZDVFJUTVCMWGL-AGLBCWCQSA-N 1 1 388.580 2.061 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C[N@H+]1C1CC1 ZINC000859965146 653613354 /nfs/dbraw/zinc/61/33/54/653613354.db2.gz PDTXMHKJNFMHRM-ZYHUDNBSSA-N 1 1 391.269 2.264 20 0 GEADMO Cn1nccc1C([NH2+]C[C@@H](O)c1ccccc1Br)c1ccnn1C ZINC000860080017 653617170 /nfs/dbraw/zinc/61/71/70/653617170.db2.gz AGQCTLAIJQOQEI-MRXNPFEDSA-N 1 1 390.285 2.329 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000813854476 653617246 /nfs/dbraw/zinc/61/72/46/653617246.db2.gz CYHASECGLWYLCE-INIZCTEOSA-N 1 1 376.328 2.369 20 0 GEADMO CN(CCCN(C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)CC[NH+](C)C ZINC000813854476 653617248 /nfs/dbraw/zinc/61/72/48/653617248.db2.gz CYHASECGLWYLCE-INIZCTEOSA-N 1 1 376.328 2.369 20 0 GEADMO Cc1sc(Br)nc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000813854585 653617531 /nfs/dbraw/zinc/61/75/31/653617531.db2.gz GAGNJEJQHZTKAU-UHFFFAOYSA-N 1 1 377.352 2.170 20 0 GEADMO Cc1sc(Br)nc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000813854585 653617533 /nfs/dbraw/zinc/61/75/33/653617533.db2.gz GAGNJEJQHZTKAU-UHFFFAOYSA-N 1 1 377.352 2.170 20 0 GEADMO CCOc1cc(C[NH+]2CCC(c3nnnn3C)CC2)cc(Br)c1O ZINC000877781053 653619621 /nfs/dbraw/zinc/61/96/21/653619621.db2.gz OZVMZTNJFDOBRT-UHFFFAOYSA-N 1 1 396.289 2.457 20 0 GEADMO CONC(=O)C1CC[NH+](Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000877785112 653619950 /nfs/dbraw/zinc/61/99/50/653619950.db2.gz QESFODMWGWIZFF-UHFFFAOYSA-N 1 1 385.258 2.125 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000860196788 653620882 /nfs/dbraw/zinc/62/08/82/653620882.db2.gz JOWYGSQOEIHFIZ-HNNXBMFYSA-N 1 1 385.555 2.222 20 0 GEADMO O=C(C1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1)N1CCCCC1 ZINC000877937602 653623890 /nfs/dbraw/zinc/62/38/90/653623890.db2.gz NPKUMPMROYFJMZ-ZDUSSCGKSA-N 1 1 386.290 2.195 20 0 GEADMO CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000838531337 653624595 /nfs/dbraw/zinc/62/45/95/653624595.db2.gz KRSRDBSPPOGADE-BZUAXINKSA-N 1 1 386.631 2.081 20 0 GEADMO O=C(NCCSCc1ccnc(Cl)c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000838547633 653624945 /nfs/dbraw/zinc/62/49/45/653624945.db2.gz LGVNBLVTGAYUKV-HNNXBMFYSA-N 1 1 386.949 2.114 20 0 GEADMO C[C@H](Sc1nc(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cs1)C(N)=O ZINC000877980701 653625179 /nfs/dbraw/zinc/62/51/79/653625179.db2.gz XWLKDRBPKSJVJK-STQMWFEESA-N 1 1 384.571 2.032 20 0 GEADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000877997646 653625675 /nfs/dbraw/zinc/62/56/75/653625675.db2.gz UVVLCIFYEUOJNN-XQQFMLRXSA-N 1 1 388.306 2.487 20 0 GEADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000877997646 653625678 /nfs/dbraw/zinc/62/56/78/653625678.db2.gz UVVLCIFYEUOJNN-XQQFMLRXSA-N 1 1 388.306 2.487 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)NOCc1ccc(F)cc1Br ZINC000780452846 653626037 /nfs/dbraw/zinc/62/60/37/653626037.db2.gz AJVNSXDGPMZCEK-UHFFFAOYSA-N 1 1 392.294 2.368 20 0 GEADMO CCOC(=O)C[NH+]1CCC(COC(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000860534614 653629917 /nfs/dbraw/zinc/62/99/17/653629917.db2.gz IYYCMRFIPYSNHP-UHFFFAOYSA-N 1 1 378.256 2.159 20 0 GEADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccncc2Br)cn1 ZINC000780633692 653630043 /nfs/dbraw/zinc/63/00/43/653630043.db2.gz GLUSPUFFUMGNKR-UHFFFAOYSA-N 1 1 387.241 2.477 20 0 GEADMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc(I)c1 ZINC000780866235 653634126 /nfs/dbraw/zinc/63/41/26/653634126.db2.gz JUKLQGNORCZCNW-NSHDSACASA-N 1 1 394.278 2.054 20 0 GEADMO Cc1nc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)sc1Br ZINC000878192226 653630947 /nfs/dbraw/zinc/63/09/47/653630947.db2.gz XPNKQSMUYGAGGE-UHFFFAOYSA-N 1 1 382.349 2.070 20 0 GEADMO Cc1nc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)sc1Br ZINC000878192226 653630945 /nfs/dbraw/zinc/63/09/45/653630945.db2.gz XPNKQSMUYGAGGE-UHFFFAOYSA-N 1 1 382.349 2.070 20 0 GEADMO O[C@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1cc(Br)no1 ZINC000878282986 653633344 /nfs/dbraw/zinc/63/33/44/653633344.db2.gz BPKNXCNAZFDGEG-ZYHUDNBSSA-N 1 1 382.262 2.277 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1cc(Br)no1 ZINC000878282986 653633349 /nfs/dbraw/zinc/63/33/49/653633349.db2.gz BPKNXCNAZFDGEG-ZYHUDNBSSA-N 1 1 382.262 2.277 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878293256 653633861 /nfs/dbraw/zinc/63/38/61/653633861.db2.gz YQNZQSZEILYDEW-SJORKVTESA-N 1 1 386.323 2.441 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1Br ZINC000780866843 653634043 /nfs/dbraw/zinc/63/40/43/653634043.db2.gz MQFRGFATMMVUNT-NSHDSACASA-N 1 1 389.315 2.414 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1Br ZINC000780866843 653634045 /nfs/dbraw/zinc/63/40/45/653634045.db2.gz MQFRGFATMMVUNT-NSHDSACASA-N 1 1 389.315 2.414 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000780866382 653634090 /nfs/dbraw/zinc/63/40/90/653634090.db2.gz FNHVPPJFCINJFJ-SECBINFHSA-N 1 1 382.711 2.260 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000780867605 653634161 /nfs/dbraw/zinc/63/41/61/653634161.db2.gz RCALBDRFNATGRN-GFCCVEGCSA-N 1 1 390.347 2.278 20 0 GEADMO C[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878323575 653634406 /nfs/dbraw/zinc/63/44/06/653634406.db2.gz ACXPQRPGVUYXQE-SNRMKQJTSA-N 1 1 396.373 2.440 20 0 GEADMO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780868649 653634547 /nfs/dbraw/zinc/63/45/47/653634547.db2.gz VJTQCJJIECLMEE-SNVBAGLBSA-N 1 1 395.294 2.359 20 0 GEADMO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1cc(Br)no1 ZINC000878327340 653634581 /nfs/dbraw/zinc/63/45/81/653634581.db2.gz HSGCVHWIQQJIPY-GHMZBOCLSA-N 1 1 382.262 2.346 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1cc(Br)no1 ZINC000878327340 653634584 /nfs/dbraw/zinc/63/45/84/653634584.db2.gz HSGCVHWIQQJIPY-GHMZBOCLSA-N 1 1 382.262 2.346 20 0 GEADMO COC(=O)c1cc(Br)cc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000838904342 653635462 /nfs/dbraw/zinc/63/54/62/653635462.db2.gz IBDGKCIDJCJUEW-GASCZTMLSA-N 1 1 398.253 2.256 20 0 GEADMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000878432615 653637225 /nfs/dbraw/zinc/63/72/25/653637225.db2.gz HLZYQAXSQUVVAF-ABAIWWIYSA-N 1 1 385.251 2.352 20 0 GEADMO C[C@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)c1ncc(Br)cn1 ZINC000814655810 653637968 /nfs/dbraw/zinc/63/79/68/653637968.db2.gz XUJMJVSXGRJWET-NSHDSACASA-N 1 1 389.294 2.431 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860909754 653640356 /nfs/dbraw/zinc/64/03/56/653640356.db2.gz FQGXEVZPCITSTN-UHFFFAOYSA-N 1 1 379.258 2.076 20 0 GEADMO CN(C(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1)c1ccccc1 ZINC000878548645 653640796 /nfs/dbraw/zinc/64/07/96/653640796.db2.gz ZUUVDRIZWNKMBE-OCCSQVGLSA-N 1 1 394.269 2.455 20 0 GEADMO OC[C@@]1([N@H+](Cc2ccccc2)C[C@@H](O)c2cc(Br)no2)CCOC1 ZINC000878552983 653640806 /nfs/dbraw/zinc/64/08/06/653640806.db2.gz WAGIITZTSBMAQF-PBHICJAKSA-N 1 1 397.269 2.124 20 0 GEADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878642207 653643543 /nfs/dbraw/zinc/64/35/43/653643543.db2.gz XVLWXYSLTSXWRQ-DYVFJYSZSA-N 1 1 395.253 2.287 20 0 GEADMO NC(=O)c1ccc(C[N@H+](C[C@@H](O)c2cc(Br)no2)C2CC2)c(F)c1 ZINC000878640562 653643555 /nfs/dbraw/zinc/64/35/55/653643555.db2.gz GIRWCJRESLOGKP-CYBMUJFWSA-N 1 1 398.232 2.373 20 0 GEADMO NC(=O)c1ccc(C[N@@H+](C[C@@H](O)c2cc(Br)no2)C2CC2)c(F)c1 ZINC000878640562 653643557 /nfs/dbraw/zinc/64/35/57/653643557.db2.gz GIRWCJRESLOGKP-CYBMUJFWSA-N 1 1 398.232 2.373 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cc(Br)no2)C[C@@H]1c1ccccc1 ZINC000878697402 653645014 /nfs/dbraw/zinc/64/50/14/653645014.db2.gz FZUXGURJELXLTO-MCIONIFRSA-N 1 1 395.253 2.359 20 0 GEADMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878762548 653646747 /nfs/dbraw/zinc/64/67/47/653646747.db2.gz FDIDADMBVUIKLD-ZIAGYGMSSA-N 1 1 394.269 2.109 20 0 GEADMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878762548 653646749 /nfs/dbraw/zinc/64/67/49/653646749.db2.gz FDIDADMBVUIKLD-ZIAGYGMSSA-N 1 1 394.269 2.109 20 0 GEADMO CC1(C)CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1CCO ZINC000781675940 653646897 /nfs/dbraw/zinc/64/68/97/653646897.db2.gz BDJSJOUDWBTPKC-HNNXBMFYSA-N 1 1 375.296 2.332 20 0 GEADMO CC1(C)CN(C(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1CCO ZINC000781678794 653646995 /nfs/dbraw/zinc/64/69/95/653646995.db2.gz ALQFJCJNBXLWNL-UHFFFAOYSA-N 1 1 376.682 2.026 20 0 GEADMO CC1(C)CN(C(=O)c2cc(Br)cnc2Cl)CC[N@H+]1CCO ZINC000781678794 653646997 /nfs/dbraw/zinc/64/69/97/653646997.db2.gz ALQFJCJNBXLWNL-UHFFFAOYSA-N 1 1 376.682 2.026 20 0 GEADMO COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1Br ZINC000781731784 653648169 /nfs/dbraw/zinc/64/81/69/653648169.db2.gz PNFOHNZHTLRAJU-JSGCOSHPSA-N 1 1 398.301 2.226 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878810485 653648362 /nfs/dbraw/zinc/64/83/62/653648362.db2.gz FZUXGURJELXLTO-MJBXVCDLSA-N 1 1 395.253 2.359 20 0 GEADMO O=C(NCCC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C(F)(F)F ZINC000878875334 653650331 /nfs/dbraw/zinc/65/03/31/653650331.db2.gz DJDXQFJSTADDJT-NSHDSACASA-N 1 1 396.207 2.366 20 0 GEADMO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc(Br)s2)C1 ZINC000839470072 653650511 /nfs/dbraw/zinc/65/05/11/653650511.db2.gz NIZNNOHSZZXLQS-NSHDSACASA-N 1 1 389.315 2.166 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)c2ccc(Br)s2)C1 ZINC000839470072 653650514 /nfs/dbraw/zinc/65/05/14/653650514.db2.gz NIZNNOHSZZXLQS-NSHDSACASA-N 1 1 389.315 2.166 20 0 GEADMO C[C@@H]1C[NH+](CCCNC(=O)C(=O)c2ccc(Br)s2)C[C@@H](C)O1 ZINC000839489507 653651608 /nfs/dbraw/zinc/65/16/08/653651608.db2.gz ZWHISNQCLJTBPT-GHMZBOCLSA-N 1 1 389.315 2.309 20 0 GEADMO Cc1ccsc1-c1nsc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)n1 ZINC000839490334 653651689 /nfs/dbraw/zinc/65/16/89/653651689.db2.gz GLXUUZFHTJUYIW-NSHDSACASA-N 1 1 379.511 2.114 20 0 GEADMO CCc1cc(Br)ccc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000878951085 653653152 /nfs/dbraw/zinc/65/31/52/653653152.db2.gz FVIMDWWCTOXIHB-UHFFFAOYSA-N 1 1 388.306 2.074 20 0 GEADMO O[C@]1(CN2CCn3ncc(Br)c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878962802 653653487 /nfs/dbraw/zinc/65/34/87/653653487.db2.gz YPDNXSJFSHUDNH-GOSISDBHSA-N 1 1 391.313 2.098 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1scnc1Br ZINC000782055733 653654294 /nfs/dbraw/zinc/65/42/94/653654294.db2.gz DYCBDGZZOKXGHO-ZDUSSCGKSA-N 1 1 396.310 2.402 20 0 GEADMO O=C(C[NH2+][C@@H](CCO)c1ccccc1Br)NCc1ccccn1 ZINC000782102777 653654737 /nfs/dbraw/zinc/65/47/37/653654737.db2.gz NBTJAQCRMNRGJQ-INIZCTEOSA-N 1 1 378.270 2.174 20 0 GEADMO NC(=O)[C@@H](F)C1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000879040835 653656115 /nfs/dbraw/zinc/65/61/15/653656115.db2.gz IRBNPXXSDQKYTE-GJZGRUSLSA-N 1 1 398.276 2.238 20 0 GEADMO CN(C)[S@@](C)(=O)=NC(=O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000879053034 653656931 /nfs/dbraw/zinc/65/69/31/653656931.db2.gz NLXKGHBCDQYTFO-SHACYNPGSA-N 1 1 395.356 2.287 20 0 GEADMO O=S1(=O)CCCN1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000839622931 653658297 /nfs/dbraw/zinc/65/82/97/653658297.db2.gz WCEZZXUTLUHICE-MRXNPFEDSA-N 1 1 376.881 2.012 20 0 GEADMO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000839639035 653659033 /nfs/dbraw/zinc/65/90/33/653659033.db2.gz IIEJWYIGRUSHSV-OAHLLOKOSA-N 1 1 398.301 2.183 20 0 GEADMO C[N@H+](CC(=O)NC(=O)NC1CCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000839639035 653659035 /nfs/dbraw/zinc/65/90/35/653659035.db2.gz IIEJWYIGRUSHSV-OAHLLOKOSA-N 1 1 398.301 2.183 20 0 GEADMO COCc1ncc2c(n1)CC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000879107249 653659391 /nfs/dbraw/zinc/65/93/91/653659391.db2.gz JVYQOSCSHHEYCM-MRXNPFEDSA-N 1 1 378.270 2.477 20 0 GEADMO COCc1ncc2c(n1)CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000879107249 653659393 /nfs/dbraw/zinc/65/93/93/653659393.db2.gz JVYQOSCSHHEYCM-MRXNPFEDSA-N 1 1 378.270 2.477 20 0 GEADMO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000839672585 653659764 /nfs/dbraw/zinc/65/97/64/653659764.db2.gz WSELPUFQOVZQSE-BXUZGUMPSA-N 1 1 392.290 2.460 20 0 GEADMO COC(=O)[C@H]1CSCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000839672585 653659766 /nfs/dbraw/zinc/65/97/66/653659766.db2.gz WSELPUFQOVZQSE-BXUZGUMPSA-N 1 1 392.290 2.460 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cnn(C)c1I ZINC000815509999 653660113 /nfs/dbraw/zinc/66/01/13/653660113.db2.gz GCRJHXCGJOWFBO-PHIMTYICSA-N 1 1 390.269 2.017 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000815530821 653661188 /nfs/dbraw/zinc/66/11/88/653661188.db2.gz ZGSJIDHDJSARQV-LLVKDONJSA-N 1 1 395.301 2.261 20 0 GEADMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000879257766 653663825 /nfs/dbraw/zinc/66/38/25/653663825.db2.gz UXZJBXOCRPHGTD-GOSISDBHSA-N 1 1 377.547 2.270 20 0 GEADMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000879257766 653663827 /nfs/dbraw/zinc/66/38/27/653663827.db2.gz 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/nfs/dbraw/zinc/79/17/58/653791758.db2.gz WLOOXXRBSTTYOD-UONOGXRCSA-N 1 1 375.254 2.462 20 0 GEADMO CCn1ncc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1Br ZINC000821224445 653792913 /nfs/dbraw/zinc/79/29/13/653792913.db2.gz GGFZVALYVVZJSF-UHFFFAOYSA-N 1 1 387.322 2.096 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000821329055 653794706 /nfs/dbraw/zinc/79/47/06/653794706.db2.gz USCWSNOHQCLDGX-BETUJISGSA-N 1 1 391.269 2.409 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000821329055 653794710 /nfs/dbraw/zinc/79/47/10/653794710.db2.gz USCWSNOHQCLDGX-BETUJISGSA-N 1 1 391.269 2.409 20 0 GEADMO O=C(Nc1ccccc1)C1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000821342631 653795313 /nfs/dbraw/zinc/79/53/13/653795313.db2.gz PIVRYAFVJYOUOO-UHFFFAOYSA-N 1 1 378.274 2.391 20 0 GEADMO Brc1ncn(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000821353857 653795498 /nfs/dbraw/zinc/79/54/98/653795498.db2.gz CKQOQZULOXLLIZ-CYBMUJFWSA-N 1 1 394.321 2.238 20 0 GEADMO Brc1ncn(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000821353857 653795500 /nfs/dbraw/zinc/79/55/00/653795500.db2.gz CKQOQZULOXLLIZ-CYBMUJFWSA-N 1 1 394.321 2.238 20 0 GEADMO O=C(Nc1ccccc1)NC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000821390556 653797091 /nfs/dbraw/zinc/79/70/91/653797091.db2.gz BPINSFOSEADGBD-UHFFFAOYSA-N 1 1 393.289 2.327 20 0 GEADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882737308 653802318 /nfs/dbraw/zinc/80/23/18/653802318.db2.gz HQLZRXIHKFAJGA-CQSZACIVSA-N 1 1 377.242 2.024 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000821736930 653804396 /nfs/dbraw/zinc/80/43/96/653804396.db2.gz GVPOTNCFNAQSIY-UHFFFAOYSA-N 1 1 375.416 2.239 20 0 GEADMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccnc(Cl)c2c1 ZINC000866674604 653809772 /nfs/dbraw/zinc/80/97/72/653809772.db2.gz BCXDCLCZPBEBFC-KBPBESRZSA-N 1 1 381.885 2.030 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000821883751 653810750 /nfs/dbraw/zinc/81/07/50/653810750.db2.gz JMMQVXDICGBLCL-UHFFFAOYSA-N 1 1 375.311 2.099 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000866717960 653814788 /nfs/dbraw/zinc/81/47/88/653814788.db2.gz VCCYDWIWKRVYFE-XMMPIXPASA-N 1 1 387.571 2.193 20 0 GEADMO COC(=O)[C@H]1CSCC[N@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC000844708840 653815129 /nfs/dbraw/zinc/81/51/29/653815129.db2.gz UDACWDGIAFEESE-OAHLLOKOSA-N 1 1 380.897 2.361 20 0 GEADMO COC(=O)[C@H]1CSCC[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC000844708840 653815132 /nfs/dbraw/zinc/81/51/32/653815132.db2.gz UDACWDGIAFEESE-OAHLLOKOSA-N 1 1 380.897 2.361 20 0 GEADMO COC(=O)[C@@H]1CSCC[N@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC000844708838 653815210 /nfs/dbraw/zinc/81/52/10/653815210.db2.gz UDACWDGIAFEESE-HNNXBMFYSA-N 1 1 380.897 2.361 20 0 GEADMO COC(=O)[C@@H]1CSCC[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC000844708838 653815211 /nfs/dbraw/zinc/81/52/11/653815211.db2.gz UDACWDGIAFEESE-HNNXBMFYSA-N 1 1 380.897 2.361 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](CN2Cc3ccc(Br)cc3C2=O)C[C@H]1C1CC1 ZINC000844764524 653817321 /nfs/dbraw/zinc/81/73/21/653817321.db2.gz JCHBWQGXZYGWQK-JKSUJKDBSA-N 1 1 393.281 2.493 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C[C@H]1C1CC1 ZINC000844764524 653817323 /nfs/dbraw/zinc/81/73/23/653817323.db2.gz JCHBWQGXZYGWQK-JKSUJKDBSA-N 1 1 393.281 2.493 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1csc(I)n1 ZINC000822100028 653818453 /nfs/dbraw/zinc/81/84/53/653818453.db2.gz AERKLXPJPFGXNG-VIFPVBQESA-N 1 1 379.267 2.352 20 0 GEADMO Cc1cc(Br)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000895165707 653821196 /nfs/dbraw/zinc/82/11/96/653821196.db2.gz MMTCXVGZSNYNRN-INIZCTEOSA-N 1 1 383.334 2.361 20 0 GEADMO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000866771191 653822696 /nfs/dbraw/zinc/82/26/96/653822696.db2.gz OCSZGHGZXZFUDB-LBPRGKRZSA-N 1 1 395.897 2.075 20 0 GEADMO CC(C)[C@@H](CNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000822316457 653822829 /nfs/dbraw/zinc/82/28/29/653822829.db2.gz FCPITYJNFXCCRQ-HZPDHXFCSA-N 1 1 375.296 2.500 20 0 GEADMO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000866771926 653822929 /nfs/dbraw/zinc/82/29/29/653822929.db2.gz YUTWLUVFZGMUCJ-CQSZACIVSA-N 1 1 378.841 2.211 20 0 GEADMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(SC)o2)cc1 ZINC000883041694 653823875 /nfs/dbraw/zinc/82/38/75/653823875.db2.gz XEEJQHREZUEBOL-UHFFFAOYSA-N 1 1 383.491 2.379 20 0 GEADMO CCS(=O)(CC)=NS(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000866786469 653826058 /nfs/dbraw/zinc/82/60/58/653826058.db2.gz SYWWTFWUZZXBKF-UHFFFAOYSA-N 1 1 387.571 2.335 20 0 GEADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000895337016 653828313 /nfs/dbraw/zinc/82/83/13/653828313.db2.gz CDCQHODOEOIJON-HNNXBMFYSA-N 1 1 387.933 2.369 20 0 GEADMO C[C@@H]1CC[C@H]([NH2+]Cc2nc(Br)nn2C)CN1C(=O)OC(C)(C)C ZINC000895402760 653832766 /nfs/dbraw/zinc/83/27/66/653832766.db2.gz NJUORYDFQHYONU-MNOVXSKESA-N 1 1 388.310 2.455 20 0 GEADMO CC[S@](C)(=O)=NS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866823517 653833044 /nfs/dbraw/zinc/83/30/44/653833044.db2.gz NGRSJHQOFDSDMZ-NZEOALSQSA-N 1 1 387.571 2.334 20 0 GEADMO CC[S@](C)(=O)=NS(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866823517 653833047 /nfs/dbraw/zinc/83/30/47/653833047.db2.gz NGRSJHQOFDSDMZ-NZEOALSQSA-N 1 1 387.571 2.334 20 0 GEADMO FC(F)(F)[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)n1cncn1 ZINC000895440446 653834711 /nfs/dbraw/zinc/83/47/11/653834711.db2.gz TXQLSWDSZHKGAE-SNVBAGLBSA-N 1 1 396.826 2.118 20 0 GEADMO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000883303193 653834831 /nfs/dbraw/zinc/83/48/31/653834831.db2.gz RDTHYLCPMFUBJQ-UWVGGRQHSA-N 1 1 384.267 2.274 20 0 GEADMO O=C1NCCn2c(C[NH2+][C@H](c3cccc(Br)c3)C3CCC3)nnc21 ZINC000883304645 653835162 /nfs/dbraw/zinc/83/51/62/653835162.db2.gz BQIURVYWGLMXMJ-HNNXBMFYSA-N 1 1 390.285 2.415 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000866841491 653836554 /nfs/dbraw/zinc/83/65/54/653836554.db2.gz DIIYRGMEUHDRGD-AWEZNQCLSA-N 1 1 384.318 2.095 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883377852 653838022 /nfs/dbraw/zinc/83/80/22/653838022.db2.gz SBJSHIQBWVSPDJ-IINYFYTJSA-N 1 1 389.315 2.115 20 0 GEADMO COc1cc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(Br)cc1O ZINC000895527089 653839552 /nfs/dbraw/zinc/83/95/52/653839552.db2.gz BRLUDUWXMYINFX-GFCCVEGCSA-N 1 1 386.290 2.399 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)/C=C3\SCC(=O)N3C)C2)s1 ZINC000822794001 653840839 /nfs/dbraw/zinc/84/08/39/653840839.db2.gz HHVXTLGQWZTKRM-RQRKTLAASA-N 1 1 379.551 2.383 20 0 GEADMO COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000883474857 653841698 /nfs/dbraw/zinc/84/16/98/653841698.db2.gz GOLSRABPLMNOJJ-INIZCTEOSA-N 1 1 381.885 2.387 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000845344000 653844463 /nfs/dbraw/zinc/84/44/63/653844463.db2.gz TWTCPMKNTOSRMP-ZNMIVQPWSA-N 1 1 395.297 2.295 20 0 GEADMO C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000866896921 653845628 /nfs/dbraw/zinc/84/56/28/653845628.db2.gz LITLBERDYPSJAL-NSHDSACASA-N 1 1 384.889 2.465 20 0 GEADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866899741 653846035 /nfs/dbraw/zinc/84/60/35/653846035.db2.gz MUZRZXIWMVWRRK-OSPHWJPCSA-N 1 1 387.571 2.193 20 0 GEADMO COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc(I)c2)no1 ZINC000822920364 653846143 /nfs/dbraw/zinc/84/61/43/653846143.db2.gz SWEHMBTZEQGINF-JTQLQIEISA-N 1 1 387.177 2.294 20 0 GEADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)CC ZINC000866899740 653846131 /nfs/dbraw/zinc/84/61/31/653846131.db2.gz MUZRZXIWMVWRRK-MZNJEOGPSA-N 1 1 387.571 2.193 20 0 GEADMO COC(=O)[C@]1(O)CC[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000895701698 653846561 /nfs/dbraw/zinc/84/65/61/653846561.db2.gz CGEDXTSEGMXFDT-KRWDZBQOSA-N 1 1 394.269 2.053 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895846757 653852359 /nfs/dbraw/zinc/85/23/59/653852359.db2.gz XKKBVFKKBHRYFM-OCCSQVGLSA-N 1 1 389.315 2.097 20 0 GEADMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CCC=C(Br)C1 ZINC000823084005 653853170 /nfs/dbraw/zinc/85/31/70/653853170.db2.gz QYJZZVMPMBTRPA-HUUCEWRRSA-N 1 1 384.318 2.324 20 0 GEADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792902574 653855188 /nfs/dbraw/zinc/85/51/88/653855188.db2.gz IJCZYDCZFJEGOM-ZENOOKHLSA-N 1 1 392.327 2.191 20 0 GEADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792902574 653855191 /nfs/dbraw/zinc/85/51/91/653855191.db2.gz IJCZYDCZFJEGOM-ZENOOKHLSA-N 1 1 392.327 2.191 20 0 GEADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792904118 653855221 /nfs/dbraw/zinc/85/52/21/653855221.db2.gz GJGLPDUWGBUDAT-ZENOOKHLSA-N 1 1 377.312 2.446 20 0 GEADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792904118 653855222 /nfs/dbraw/zinc/85/52/22/653855222.db2.gz GJGLPDUWGBUDAT-ZENOOKHLSA-N 1 1 377.312 2.446 20 0 GEADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906888 653855585 /nfs/dbraw/zinc/85/55/85/653855585.db2.gz OQEKMFDFEXIEIW-FDCLKBLSSA-N 1 1 393.336 2.482 20 0 GEADMO C[C@@]12CC[N@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]1C2(Cl)Cl ZINC000792912900 653855834 /nfs/dbraw/zinc/85/58/34/653855834.db2.gz ZWLUHRAPQMIKPH-WMLDXEAASA-N 1 1 390.355 2.411 20 0 GEADMO C[C@@]12CC[N@@H+](CC(=O)NCCCN3CCCCCC3=O)C[C@@H]1C2(Cl)Cl ZINC000792912900 653855837 /nfs/dbraw/zinc/85/58/37/653855837.db2.gz ZWLUHRAPQMIKPH-WMLDXEAASA-N 1 1 390.355 2.411 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)nc1Br ZINC000792952995 653856962 /nfs/dbraw/zinc/85/69/62/653856962.db2.gz LYLHJVJYZCXUEG-STQMWFEESA-N 1 1 397.317 2.470 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+]1CCCC[C@H]1C ZINC000792952974 653857108 /nfs/dbraw/zinc/85/71/08/653857108.db2.gz LQYMGRWGYILHMK-VXGBXAGGSA-N 1 1 383.290 2.162 20 0 GEADMO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(c2nnnn2C)CC1 ZINC000895926824 653857451 /nfs/dbraw/zinc/85/74/51/653857451.db2.gz AWQDQXSANAEGQJ-UHFFFAOYSA-N 1 1 393.289 2.311 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792993382 653859543 /nfs/dbraw/zinc/85/95/43/653859543.db2.gz PQGXBHYZTVQSDJ-UHFFFAOYSA-N 1 1 394.273 2.193 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1C ZINC000793006358 653861096 /nfs/dbraw/zinc/86/10/96/653861096.db2.gz VMIZQLUFNHHWKX-NWDGAFQWSA-N 1 1 383.290 2.114 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc1Br ZINC000793005122 653861126 /nfs/dbraw/zinc/86/11/26/653861126.db2.gz LATHMOBRAAETNO-STQMWFEESA-N 1 1 395.301 2.034 20 0 GEADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000823297729 653861603 /nfs/dbraw/zinc/86/16/03/653861603.db2.gz ILJRNAHROPGUKI-INIZCTEOSA-N 1 1 378.344 2.363 20 0 GEADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000823297729 653861605 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384.112 2.224 20 0 GEADMO C[C@H](C(=O)N[C@@](C)(CO)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000890632546 654235278 /nfs/dbraw/zinc/23/52/78/654235278.db2.gz NMZKYPNNQVCWKF-WBMJQRKESA-N 1 1 387.343 2.210 20 0 GEADMO C[N@@H+](CCNC(=O)NCc1cnc(Br)cn1)Cc1ccc(F)cc1 ZINC000921320793 654246420 /nfs/dbraw/zinc/24/64/20/654246420.db2.gz SOQVSNAEVPORJQ-UHFFFAOYSA-N 1 1 396.264 2.309 20 0 GEADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852598980 654248600 /nfs/dbraw/zinc/24/86/00/654248600.db2.gz ZZFMHBGYOVARTD-CVEARBPZSA-N 1 1 375.531 2.024 20 0 GEADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852598980 654248608 /nfs/dbraw/zinc/24/86/08/654248608.db2.gz ZZFMHBGYOVARTD-CVEARBPZSA-N 1 1 375.531 2.024 20 0 GEADMO Brc1cnn2c1CN(Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000852625301 654250708 /nfs/dbraw/zinc/25/07/08/654250708.db2.gz DHWMPERAXLQXNK-UHFFFAOYSA-N 1 1 391.313 2.494 20 0 GEADMO Fc1cccc(NNC(=S)NCCC[NH+]2CCOCC2)c1Br ZINC000871687215 654251968 /nfs/dbraw/zinc/25/19/68/654251968.db2.gz UKRMBQGPUKPACI-UHFFFAOYSA-N 1 1 391.310 2.102 20 0 GEADMO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)ccc(F)c1F ZINC000903544177 654252987 /nfs/dbraw/zinc/25/29/87/654252987.db2.gz JVWRPRKRRLWBDM-JTQLQIEISA-N 1 1 380.844 2.055 20 0 GEADMO O[C@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(F)c(Br)c1 ZINC000852708001 654255237 /nfs/dbraw/zinc/25/52/37/654255237.db2.gz NXURVCCIPNAHMU-WMLDXEAASA-N 1 1 387.293 2.153 20 0 GEADMO COC[C@H](CO[NH+]=C(N)CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000871773897 654257523 /nfs/dbraw/zinc/25/75/23/654257523.db2.gz IBLZNEZCWCGYIR-GFCCVEGCSA-N 1 1 393.303 2.112 20 0 GEADMO Cc1cc(CNC(=O)c2cn(C)nc2Br)cc(N2CCCC2)[nH+]1 ZINC000891015808 654258300 /nfs/dbraw/zinc/25/83/00/654258300.db2.gz DFIZROWFMKPDFT-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@H](CF)C2)cc1Br ZINC000891026279 654258887 /nfs/dbraw/zinc/25/88/87/654258887.db2.gz FYWFXKYFMOSOQJ-LLVKDONJSA-N 1 1 386.265 2.267 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000903576541 654259752 /nfs/dbraw/zinc/25/97/52/654259752.db2.gz TYRKILUQIKDKFI-SNVBAGLBSA-N 1 1 397.722 2.102 20 0 GEADMO COC(=O)NC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000852766178 654259866 /nfs/dbraw/zinc/25/98/66/654259866.db2.gz ZSNGWSPRUSWBRR-CQSZACIVSA-N 1 1 375.238 2.442 20 0 GEADMO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000903578351 654260778 /nfs/dbraw/zinc/26/07/78/654260778.db2.gz GLCLOROUFUYROC-DTWKUNHWSA-N 1 1 392.321 2.311 20 0 GEADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921427085 654266259 /nfs/dbraw/zinc/26/62/59/654266259.db2.gz WZOINPRBEFHLJZ-ZDUSSCGKSA-N 1 1 384.322 2.358 20 0 GEADMO COCCN(CCF)C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000852904578 654267056 /nfs/dbraw/zinc/26/70/56/654267056.db2.gz CBHUQYKRGHHMIB-UHFFFAOYSA-N 1 1 398.241 2.014 20 0 GEADMO O=C(NC[C@H]1COCO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487153 654274038 /nfs/dbraw/zinc/27/40/38/654274038.db2.gz CJNVTDBTIWMVLU-INIZCTEOSA-N 1 1 398.301 2.086 20 0 GEADMO C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000921554197 654279911 /nfs/dbraw/zinc/27/99/11/654279911.db2.gz MXVTULQTWRGSIU-VBNZEHGJSA-N 1 1 397.317 2.410 20 0 GEADMO C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000921554197 654279917 /nfs/dbraw/zinc/27/99/17/654279917.db2.gz MXVTULQTWRGSIU-VBNZEHGJSA-N 1 1 397.317 2.410 20 0 GEADMO COC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1cccc(Br)c1 ZINC000871924478 654280553 /nfs/dbraw/zinc/28/05/53/654280553.db2.gz KSMUNCWEOVRSKR-SMDDNHRTSA-N 1 1 386.290 2.349 20 0 GEADMO O=S1(=O)N=C(Cl)c2ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc21 ZINC000853161756 654282839 /nfs/dbraw/zinc/28/28/39/654282839.db2.gz ZNMVKAGIVWEARX-AWEZNQCLSA-N 1 1 383.901 2.430 20 0 GEADMO Cn1ccc(-c2nc(C[NH2+]CCCS(=O)(=O)c3ccccc3)cs2)n1 ZINC000921604302 654291387 /nfs/dbraw/zinc/29/13/87/654291387.db2.gz RXPRXWZRPBKZLP-UHFFFAOYSA-N 1 1 376.507 2.497 20 0 GEADMO CC(C)(C)n1nc(Br)c2c1ncnc2NCCC[NH+]1CCOCC1 ZINC000891408097 654292261 /nfs/dbraw/zinc/29/22/61/654292261.db2.gz GBCGERXANCUNCW-UHFFFAOYSA-N 1 1 397.321 2.478 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(F)cc1Cl ZINC000832764499 654293875 /nfs/dbraw/zinc/29/38/75/654293875.db2.gz NFEBJVUAEJXKCS-LLVKDONJSA-N 1 1 392.880 2.369 20 0 GEADMO O=C(NCCSC(F)(F)F)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853452560 654296459 /nfs/dbraw/zinc/29/64/59/654296459.db2.gz LVKLBGLYJGUDDB-CQSZACIVSA-N 1 1 377.432 2.305 20 0 GEADMO COCC[C@H]([NH3+])c1nc(Cc2cccc(F)c2I)no1 ZINC000904104395 654301663 /nfs/dbraw/zinc/30/16/63/654301663.db2.gz QGIQGVIDQVNUIC-JTQLQIEISA-N 1 1 391.184 2.440 20 0 GEADMO NC(=O)C[NH+]1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000804339653 654306082 /nfs/dbraw/zinc/30/60/82/654306082.db2.gz CCOGLKOXFAPMOC-UHFFFAOYSA-N 1 1 381.196 2.225 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1nc(Br)sc1C1CC1 ZINC000833574692 654307812 /nfs/dbraw/zinc/30/78/12/654307812.db2.gz IDZFMTZTLFBGOZ-LLVKDONJSA-N 1 1 388.331 2.360 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1=O ZINC000833833782 654309734 /nfs/dbraw/zinc/30/97/34/654309734.db2.gz OPGLFYIZTRAHSV-XJKCOSOUSA-N 1 1 376.328 2.019 20 0 GEADMO CC[N@@H+](CCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000853636698 654312488 /nfs/dbraw/zinc/31/24/88/654312488.db2.gz IPEOUVPUAQAKFG-UHFFFAOYSA-N 1 1 382.302 2.146 20 0 GEADMO Brc1cccc([C@@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCOC2)c1 ZINC000872067280 654313090 /nfs/dbraw/zinc/31/30/90/654313090.db2.gz XFMVIKNDBAQAHP-CXAGYDPISA-N 1 1 393.285 2.438 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3nc(Br)ccc3Br)C[C@@H]21 ZINC000834308032 654314217 /nfs/dbraw/zinc/31/42/17/654314217.db2.gz WCOVOSNIHLOVHX-SCZZXKLOSA-N 1 1 389.091 2.383 20 0 GEADMO [NH3+][C@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)C(F)F ZINC000904664709 654314780 /nfs/dbraw/zinc/31/47/80/654314780.db2.gz HVVFAHYIWNXSKR-SECBINFHSA-N 1 1 390.184 2.329 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@@H](N)c1nc(Cn2cc(Br)cn2)no1 ZINC000872176304 654315506 /nfs/dbraw/zinc/31/55/06/654315506.db2.gz SCKKQMBZIKVLHN-CQSZACIVSA-N 1 1 391.273 2.209 20 0 GEADMO O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1ncc(Br)cn1 ZINC000891882354 654316581 /nfs/dbraw/zinc/31/65/81/654316581.db2.gz RIZXKUALNSTWFL-UHFFFAOYSA-N 1 1 390.285 2.097 20 0 GEADMO O[C@H](CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199554 654316631 /nfs/dbraw/zinc/31/66/31/654316631.db2.gz PYMMKDXBEWCKGX-INMHGKMJSA-N 1 1 375.296 2.186 20 0 GEADMO O[C@H](CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199554 654316634 /nfs/dbraw/zinc/31/66/34/654316634.db2.gz PYMMKDXBEWCKGX-INMHGKMJSA-N 1 1 375.296 2.186 20 0 GEADMO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000872239496 654319170 /nfs/dbraw/zinc/31/91/70/654319170.db2.gz IPEKMJOVRMSDAJ-NSHDSACASA-N 1 1 391.312 2.132 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)c[nH]1 ZINC000921767445 654319900 /nfs/dbraw/zinc/31/99/00/654319900.db2.gz RLYKOAYLKQZHJY-GJZGRUSLSA-N 1 1 379.302 2.145 20 0 GEADMO CCOC(=O)[C@H](F)C1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000834377807 654320632 /nfs/dbraw/zinc/32/06/32/654320632.db2.gz ILYAFEBGQJLGOH-DZGCQCFKSA-N 1 1 390.249 2.022 20 0 GEADMO CN(C)c1cc[nH+]c(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000804790078 654321158 /nfs/dbraw/zinc/32/11/58/654321158.db2.gz YWSSBPQNGWYFSZ-UHFFFAOYSA-N 1 1 390.296 2.240 20 0 GEADMO COc1ccc(Br)c(C[N@@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872284096 654321314 /nfs/dbraw/zinc/32/13/14/654321314.db2.gz JEQNJQKRAFZSJA-UHFFFAOYSA-N 1 1 383.286 2.329 20 0 GEADMO COc1ccc(Br)c(C[N@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872284096 654321320 /nfs/dbraw/zinc/32/13/20/654321320.db2.gz JEQNJQKRAFZSJA-UHFFFAOYSA-N 1 1 383.286 2.329 20 0 GEADMO O=C1C[C@H]([NH2+]Cc2nc(Br)c[nH]2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000921799019 654325001 /nfs/dbraw/zinc/32/50/01/654325001.db2.gz LHHOPBZEEGSDDN-BFHYXJOUSA-N 1 1 375.270 2.419 20 0 GEADMO 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O=C(C[N@H+]1CCCN(Cc2nc(C(F)(F)F)cs2)CC1)N1CCCC1 ZINC000132047080 532208304 /nfs/dbraw/zinc/20/83/04/532208304.db2.gz YHHLLSNVBGVAHQ-UHFFFAOYSA-N 1 1 376.448 2.292 20 0 GEADMO O=C(C[N@@H+]1CCCN(Cc2nc(C(F)(F)F)cs2)CC1)N1CCCC1 ZINC000132047080 532208308 /nfs/dbraw/zinc/20/83/08/532208308.db2.gz YHHLLSNVBGVAHQ-UHFFFAOYSA-N 1 1 376.448 2.292 20 0 GEADMO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000178821931 532213941 /nfs/dbraw/zinc/21/39/41/532213941.db2.gz SVAHAUSBGKHPKG-DOMZBBRYSA-N 1 1 384.343 2.317 20 0 GEADMO C[C@@H](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000178458194 532203077 /nfs/dbraw/zinc/20/30/77/532203077.db2.gz VCVJDODVTAATKJ-AWEZNQCLSA-N 1 1 396.329 2.223 20 0 GEADMO CC[N@@H+](Cc1cc(Br)ccc1F)Cc1cn(C)c(=O)n(C)c1=O ZINC000179328297 532228238 /nfs/dbraw/zinc/22/82/38/532228238.db2.gz OUNWOKIXCXQIEQ-UHFFFAOYSA-N 1 1 384.249 2.008 20 0 GEADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(I)ccc1O ZINC000179511239 532234011 /nfs/dbraw/zinc/23/40/11/532234011.db2.gz XCZYMBLOYGLYGC-ZDUSSCGKSA-N 1 1 388.249 2.409 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(I)ccc1O ZINC000179511239 532234012 /nfs/dbraw/zinc/23/40/12/532234012.db2.gz XCZYMBLOYGLYGC-ZDUSSCGKSA-N 1 1 388.249 2.409 20 0 GEADMO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000178996824 532219779 /nfs/dbraw/zinc/21/97/79/532219779.db2.gz RRLNJKTYQHOCFF-CQSZACIVSA-N 1 1 378.897 2.135 20 0 GEADMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000179127314 532222360 /nfs/dbraw/zinc/22/23/60/532222360.db2.gz JJALQKJJZQAIFV-LBPRGKRZSA-N 1 1 389.315 2.497 20 0 GEADMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000179127314 532222363 /nfs/dbraw/zinc/22/23/63/532222363.db2.gz JJALQKJJZQAIFV-LBPRGKRZSA-N 1 1 389.315 2.497 20 0 GEADMO COc1nc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ncc1Br ZINC000179261472 532226705 /nfs/dbraw/zinc/22/67/05/532226705.db2.gz IBMRICOQJDCJRU-KBPBESRZSA-N 1 1 393.285 2.295 20 0 GEADMO COc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000134009775 532248108 /nfs/dbraw/zinc/24/81/08/532248108.db2.gz NBZZNHNWRJXNBU-GFCCVEGCSA-N 1 1 398.301 2.196 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000179891882 532249177 /nfs/dbraw/zinc/24/91/77/532249177.db2.gz MBVKULNRJBFYCX-GXTWGEPZSA-N 1 1 395.301 2.034 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000134165117 532250823 /nfs/dbraw/zinc/25/08/23/532250823.db2.gz IGZQOHDHJMMHIR-LBPRGKRZSA-N 1 1 398.301 2.196 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000134165324 532251101 /nfs/dbraw/zinc/25/11/01/532251101.db2.gz IGZQOHDHJMMHIR-GFCCVEGCSA-N 1 1 398.301 2.196 20 0 GEADMO Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(Br)n1 ZINC000134181403 532251993 /nfs/dbraw/zinc/25/19/93/532251993.db2.gz WVMISDXROZDXHG-UHFFFAOYSA-N 1 1 383.334 2.251 20 0 GEADMO Cc1ccc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000134181403 532251997 /nfs/dbraw/zinc/25/19/97/532251997.db2.gz WVMISDXROZDXHG-UHFFFAOYSA-N 1 1 383.334 2.251 20 0 GEADMO Brc1cnc(C[NH2+]CCN2CCOCC2)c(Br)c1 ZINC000135276680 532270461 /nfs/dbraw/zinc/27/04/61/532270461.db2.gz FXLCOLFOABXZOG-UHFFFAOYSA-N 1 1 379.096 2.028 20 0 GEADMO C[C@H](CN1CCOCC1)[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000180474977 532272455 /nfs/dbraw/zinc/27/24/55/532272455.db2.gz OQTAZTFKJHRQJY-CQSZACIVSA-N 1 1 388.375 2.349 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000180474977 532272458 /nfs/dbraw/zinc/27/24/58/532272458.db2.gz OQTAZTFKJHRQJY-CQSZACIVSA-N 1 1 388.375 2.349 20 0 GEADMO COCCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135074920 532267224 /nfs/dbraw/zinc/26/72/24/532267224.db2.gz PSMFTCHRWAKAKX-CJNGLKHVSA-N 1 1 378.897 2.428 20 0 GEADMO COCCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135074920 532267226 /nfs/dbraw/zinc/26/72/26/532267226.db2.gz PSMFTCHRWAKAKX-CJNGLKHVSA-N 1 1 378.897 2.428 20 0 GEADMO CC[N@@H+](CCCO)CC(=O)Nc1ccc(I)cc1C ZINC000135509140 532275028 /nfs/dbraw/zinc/27/50/28/532275028.db2.gz PRKLPEHIDRPQPE-UHFFFAOYSA-N 1 1 376.238 2.242 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1nc2c(s1)CCCC2 ZINC000180744002 532279287 /nfs/dbraw/zinc/27/92/87/532279287.db2.gz HROHVHPZBFRKRK-ZIAGYGMSSA-N 1 1 387.571 2.161 20 0 GEADMO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)ccc1F ZINC000180744622 532279591 /nfs/dbraw/zinc/27/95/91/532279591.db2.gz CZPZNBGPDPJDRZ-WMLDXEAASA-N 1 1 376.469 2.494 20 0 GEADMO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)sc1Br ZINC000135938056 532281127 /nfs/dbraw/zinc/28/11/27/532281127.db2.gz YPUKYZKADZWHST-NSHDSACASA-N 1 1 389.315 2.314 20 0 GEADMO C[C@@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000135434046 532273895 /nfs/dbraw/zinc/27/38/95/532273895.db2.gz ZEYISWPLECEOSU-WFASDCNBSA-N 1 1 383.286 2.010 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000135436738 532274076 /nfs/dbraw/zinc/27/40/76/532274076.db2.gz UIBWEOGWQWZGNP-LLVKDONJSA-N 1 1 376.238 2.241 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000135436738 532274077 /nfs/dbraw/zinc/27/40/77/532274077.db2.gz UIBWEOGWQWZGNP-LLVKDONJSA-N 1 1 376.238 2.241 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139365828 532292732 /nfs/dbraw/zinc/29/27/32/532292732.db2.gz SZPSZTCYHLNVOD-ZDUSSCGKSA-N 1 1 383.290 2.089 20 0 GEADMO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1nccs1 ZINC000181200832 532293417 /nfs/dbraw/zinc/29/34/17/532293417.db2.gz ZOUFGQDALUXULD-AWEZNQCLSA-N 1 1 381.523 2.156 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181396394 532297131 /nfs/dbraw/zinc/29/71/31/532297131.db2.gz KZDRQWOQYXKVAF-SWLSCSKDSA-N 1 1 393.285 2.123 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151206291 532308451 /nfs/dbraw/zinc/30/84/51/532308451.db2.gz NFZLCRVBTOJPSX-QWRGUYRKSA-N 1 1 388.331 2.182 20 0 GEADMO COCc1nc(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC000147291580 532299006 /nfs/dbraw/zinc/29/90/06/532299006.db2.gz VXPXUHMUOAUMEF-AWEZNQCLSA-N 1 1 380.539 2.070 20 0 GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000181581332 532302576 /nfs/dbraw/zinc/30/25/76/532302576.db2.gz UATGJTWJVZLICO-SNVBAGLBSA-N 1 1 376.404 2.198 20 0 GEADMO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000181765690 532305619 /nfs/dbraw/zinc/30/56/19/532305619.db2.gz DOXIYZITNYTVPF-NVXWUHKLSA-N 1 1 383.897 2.455 20 0 GEADMO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c(Br)c1 ZINC000181925348 532307376 /nfs/dbraw/zinc/30/73/76/532307376.db2.gz JTFQUELBGMDFQY-LLVKDONJSA-N 1 1 379.320 2.436 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)CC(=O)NCC(F)(F)F)[C@@H]1c1cccs1 ZINC000182047089 532308734 /nfs/dbraw/zinc/30/87/34/532308734.db2.gz DTCHEIADLIAOIF-IAQYHMDHSA-N 1 1 377.432 2.316 20 0 GEADMO CCOC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)o1 ZINC000182658421 532316120 /nfs/dbraw/zinc/31/61/20/532316120.db2.gz HRZOLLUHBOLSAE-UHFFFAOYSA-N 1 1 386.495 2.203 20 0 GEADMO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000182650611 532316140 /nfs/dbraw/zinc/31/61/40/532316140.db2.gz LPJGMOFCVURLBX-UONOGXRCSA-N 1 1 389.315 2.333 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000182741501 532316902 /nfs/dbraw/zinc/31/69/02/532316902.db2.gz YQBWNIWYJTVAIR-UHFFFAOYSA-N 1 1 383.334 2.228 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cnc1Br ZINC000182835621 532318767 /nfs/dbraw/zinc/31/87/67/532318767.db2.gz FAVFISRXEGWCDH-CYBMUJFWSA-N 1 1 397.317 2.185 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183119751 532321575 /nfs/dbraw/zinc/32/15/75/532321575.db2.gz CZCZDOHYHGJYMT-NSHDSACASA-N 1 1 396.285 2.384 20 0 GEADMO COc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)cc1Br ZINC000185227272 532337268 /nfs/dbraw/zinc/33/72/68/532337268.db2.gz CLBHNYJMWUXEIZ-UHFFFAOYSA-N 1 1 377.304 2.172 20 0 GEADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000185928164 532339187 /nfs/dbraw/zinc/33/91/87/532339187.db2.gz HGWKIGSOUGQQKY-SJORKVTESA-N 1 1 385.346 2.395 20 0 GEADMO C[C@@](O)(CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000185967830 532339367 /nfs/dbraw/zinc/33/93/67/532339367.db2.gz OLZQKIBGFTWPHQ-OAHLLOKOSA-N 1 1 380.794 2.172 20 0 GEADMO CCc1noc2ncc(S(=O)(=O)NC[C@H](c3cccs3)[NH+](C)C)cc12 ZINC000186034966 532339731 /nfs/dbraw/zinc/33/97/31/532339731.db2.gz HWHPZOIWEXPJBA-CQSZACIVSA-N 1 1 380.495 2.428 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186147684 532339914 /nfs/dbraw/zinc/33/99/14/532339914.db2.gz OYHZBIXTAIECCQ-ZIAGYGMSSA-N 1 1 384.318 2.354 20 0 GEADMO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186297954 532340524 /nfs/dbraw/zinc/34/05/24/532340524.db2.gz FCUDWIQKKAUZOK-SJORKVTESA-N 1 1 399.329 2.234 20 0 GEADMO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186297954 532340525 /nfs/dbraw/zinc/34/05/25/532340525.db2.gz FCUDWIQKKAUZOK-SJORKVTESA-N 1 1 399.329 2.234 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000186567393 532341188 /nfs/dbraw/zinc/34/11/88/532341188.db2.gz CKEYSHMEJRODPW-UHFFFAOYSA-N 1 1 384.318 2.403 20 0 GEADMO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186597919 532341390 /nfs/dbraw/zinc/34/13/90/532341390.db2.gz WHMPTBSLXCABGV-CQSZACIVSA-N 1 1 381.929 2.488 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000186705808 532341715 /nfs/dbraw/zinc/34/17/15/532341715.db2.gz OHKANHOGNAGLLM-UHFFFAOYSA-N 1 1 382.302 2.122 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc2ncc(I)n2c1 ZINC000186795709 532341989 /nfs/dbraw/zinc/34/19/89/532341989.db2.gz IAJINDJRACXPFK-UHFFFAOYSA-N 1 1 398.248 2.105 20 0 GEADMO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000186801614 532342061 /nfs/dbraw/zinc/34/20/61/532342061.db2.gz MKSDSEXUGDMJPH-UHFFFAOYSA-N 1 1 389.315 2.019 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000186801614 532342062 /nfs/dbraw/zinc/34/20/62/532342062.db2.gz MKSDSEXUGDMJPH-UHFFFAOYSA-N 1 1 389.315 2.019 20 0 GEADMO COc1ccc(Br)c(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000186885671 532342359 /nfs/dbraw/zinc/34/23/59/532342359.db2.gz UXLWEKMDRNNLLB-ZDUSSCGKSA-N 1 1 399.329 2.304 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000186860748 532342362 /nfs/dbraw/zinc/34/23/62/532342362.db2.gz BDESSIGKKUMBAG-LLVKDONJSA-N 1 1 375.694 2.170 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(Br)ccc1F ZINC000186928376 532342652 /nfs/dbraw/zinc/34/26/52/532342652.db2.gz JHAAHJHTWIHFCS-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO CC1(CO)CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000186924214 532342727 /nfs/dbraw/zinc/34/27/27/532342727.db2.gz MCGFLHXXHPXEFS-UHFFFAOYSA-N 1 1 388.249 2.324 20 0 GEADMO COc1c(Br)cccc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000187079698 532343129 /nfs/dbraw/zinc/34/31/29/532343129.db2.gz MFWXHCYYMQBWNU-INIZCTEOSA-N 1 1 396.329 2.196 20 0 GEADMO COc1c(Br)cccc1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000187079673 532343151 /nfs/dbraw/zinc/34/31/51/532343151.db2.gz MFWXHCYYMQBWNU-MRXNPFEDSA-N 1 1 396.329 2.196 20 0 GEADMO COCCCNC(=O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824270 532329102 /nfs/dbraw/zinc/32/91/02/532329102.db2.gz UMKBWHPTUQIZOI-UHFFFAOYSA-N 1 1 385.302 2.445 20 0 GEADMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000183901081 532329839 /nfs/dbraw/zinc/32/98/39/532329839.db2.gz CSHDXCVKXCAYGY-ULQDDVLXSA-N 1 1 397.313 2.242 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(F)c1Cl ZINC000184086958 532330847 /nfs/dbraw/zinc/33/08/47/532330847.db2.gz DEOVOLMDDHAFHA-UHFFFAOYSA-N 1 1 397.875 2.443 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184325210 532331863 /nfs/dbraw/zinc/33/18/63/532331863.db2.gz FBOLDCHKZMUZMF-LSDHHAIUSA-N 1 1 398.345 2.359 20 0 GEADMO COc1ccc(Br)cc1CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184312119 532332009 /nfs/dbraw/zinc/33/20/09/532332009.db2.gz MAXTWAGNUKXLOL-CQSZACIVSA-N 1 1 398.345 2.142 20 0 GEADMO Cc1ccc(CCC(=O)NCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000184844870 532335337 /nfs/dbraw/zinc/33/53/37/532335337.db2.gz OLNXHRMRDROJOE-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO CSC[C@@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000187806661 532345608 /nfs/dbraw/zinc/34/56/08/532345608.db2.gz LOCCKMMHQGFZQF-HNNXBMFYSA-N 1 1 382.917 2.232 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000187855574 532345834 /nfs/dbraw/zinc/34/58/34/532345834.db2.gz IHVLHFXPQMHUGE-LLVKDONJSA-N 1 1 384.249 2.142 20 0 GEADMO COC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350156 532360570 /nfs/dbraw/zinc/36/05/70/532360570.db2.gz FYOVYCHHYBRTHO-ZDUSSCGKSA-N 1 1 376.291 2.038 20 0 GEADMO CC(=O)N1CC(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000188587059 532348746 /nfs/dbraw/zinc/34/87/46/532348746.db2.gz WVJQLEDGHQVSJH-UHFFFAOYSA-N 1 1 394.313 2.008 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188700057 532349223 /nfs/dbraw/zinc/34/92/23/532349223.db2.gz CQNXDNPTSRTMNU-CQSZACIVSA-N 1 1 385.302 2.051 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188700057 532349224 /nfs/dbraw/zinc/34/92/24/532349224.db2.gz CQNXDNPTSRTMNU-CQSZACIVSA-N 1 1 385.302 2.051 20 0 GEADMO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)c(Br)c1 ZINC000189335989 532351763 /nfs/dbraw/zinc/35/17/63/532351763.db2.gz SOFSCMJCELLQPU-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000189379390 532351958 /nfs/dbraw/zinc/35/19/58/532351958.db2.gz HXSPBLXOMGHWIE-JTQLQIEISA-N 1 1 387.303 2.059 20 0 GEADMO Cc1ccc(OCCC(=O)NCC[N@H+]2CCCOCC2)c(Br)c1 ZINC000189423876 532352027 /nfs/dbraw/zinc/35/20/27/532352027.db2.gz JLHULEAGIAAGDU-UHFFFAOYSA-N 1 1 385.302 2.365 20 0 GEADMO O=C(NCC[N@@H+]1CCCOCC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000189425406 532352048 /nfs/dbraw/zinc/35/20/48/532352048.db2.gz QYMZYMPZUTYIHD-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000189425406 532352049 /nfs/dbraw/zinc/35/20/49/532352049.db2.gz QYMZYMPZUTYIHD-UHFFFAOYSA-N 1 1 393.285 2.087 20 0 GEADMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000189651519 532353126 /nfs/dbraw/zinc/35/31/26/532353126.db2.gz ZSZTZOFSRDRVGL-UHFFFAOYSA-N 1 1 378.897 2.088 20 0 GEADMO CC[C@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000189637443 532353172 /nfs/dbraw/zinc/35/31/72/532353172.db2.gz PYEWKXCTKVLYEL-OAHLLOKOSA-N 1 1 376.316 2.460 20 0 GEADMO CC[C@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000189637443 532353173 /nfs/dbraw/zinc/35/31/73/532353173.db2.gz PYEWKXCTKVLYEL-OAHLLOKOSA-N 1 1 376.316 2.460 20 0 GEADMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c2ccc(Br)cc2n1 ZINC000189697911 532353236 /nfs/dbraw/zinc/35/32/36/532353236.db2.gz ADRVZVUVDKUYAK-ZDUSSCGKSA-N 1 1 392.297 2.444 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000189740253 532353402 /nfs/dbraw/zinc/35/34/02/532353402.db2.gz ZUUHNSPGLOWIKY-NSHDSACASA-N 1 1 391.693 2.006 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000189720453 532353471 /nfs/dbraw/zinc/35/34/71/532353471.db2.gz SZVWSJDUQLWUKN-JTQLQIEISA-N 1 1 384.249 2.208 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000189746777 532353499 /nfs/dbraw/zinc/35/34/99/532353499.db2.gz PNURYEZELGXDGN-LBPRGKRZSA-N 1 1 383.279 2.318 20 0 GEADMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189771905 532353550 /nfs/dbraw/zinc/35/35/50/532353550.db2.gz HMQXQXZGMRWSMA-AWEZNQCLSA-N 1 1 399.329 2.269 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189918079 532354157 /nfs/dbraw/zinc/35/41/57/532354157.db2.gz JBDODQGNSKCWGF-BBRMVZONSA-N 1 1 399.329 2.440 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190079747 532354732 /nfs/dbraw/zinc/35/47/32/532354732.db2.gz RLUNMLVGFHFWNS-JSGCOSHPSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000190085560 532354807 /nfs/dbraw/zinc/35/48/07/532354807.db2.gz CHRYLTKSNQTJFV-GHMZBOCLSA-N 1 1 384.249 2.222 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000190085304 532354822 /nfs/dbraw/zinc/35/48/22/532354822.db2.gz DYNPIEYPQUMOLZ-ZYHUDNBSSA-N 1 1 384.249 2.222 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000190200358 532355146 /nfs/dbraw/zinc/35/51/46/532355146.db2.gz NWHXBIJHNUCESD-KGLIPLIRSA-N 1 1 386.539 2.479 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190246514 532355300 /nfs/dbraw/zinc/35/53/00/532355300.db2.gz MDYNTDWIHXGECC-CQSZACIVSA-N 1 1 393.329 2.442 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N1CCc2cc(Br)ccc2C1 ZINC000190259951 532355489 /nfs/dbraw/zinc/35/54/89/532355489.db2.gz GQIAIBUKOAXLFW-UHFFFAOYSA-N 1 1 382.302 2.239 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1Br ZINC000190338156 532355563 /nfs/dbraw/zinc/35/55/63/532355563.db2.gz PQSWKZVWGKZBBW-QWHCGFSZSA-N 1 1 380.286 2.473 20 0 GEADMO NS(=O)(=O)c1ccccc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000190328086 532355634 /nfs/dbraw/zinc/35/56/34/532355634.db2.gz YIFUJWQGZWCOMX-UHFFFAOYSA-N 1 1 379.913 2.352 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835581 532358193 /nfs/dbraw/zinc/35/81/93/532358193.db2.gz ZJIQPIWVWXZQIR-VIFPVBQESA-N 1 1 390.228 2.266 20 0 GEADMO C[C@H](NC(=O)C[N@@H+](C)C1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000190994239 532359057 /nfs/dbraw/zinc/35/90/57/532359057.db2.gz JKQDRJJHDPTJGW-ZDUSSCGKSA-N 1 1 385.302 2.100 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000187290928 532343915 /nfs/dbraw/zinc/34/39/15/532343915.db2.gz IBZUHSYFYWOVKK-UHFFFAOYSA-N 1 1 384.318 2.094 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCCc1cc(Cl)ccc1Br ZINC000187375326 532344139 /nfs/dbraw/zinc/34/41/39/532344139.db2.gz GHJMSUIDUSUFFS-UHFFFAOYSA-N 1 1 392.725 2.258 20 0 GEADMO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ncc(Br)cc1F)CC2 ZINC000187367359 532344165 /nfs/dbraw/zinc/34/41/65/532344165.db2.gz PRNDEJHOEJKONW-MWLCHTKSSA-N 1 1 384.253 2.387 20 0 GEADMO C[C@H](CNC(=O)c1cc(Br)ncc1Cl)CN1CC[NH+](C)CC1 ZINC000187523690 532344755 /nfs/dbraw/zinc/34/47/55/532344755.db2.gz QOBVGDQTJXGGSQ-LLVKDONJSA-N 1 1 389.725 2.111 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000187702139 532345328 /nfs/dbraw/zinc/34/53/28/532345328.db2.gz GNPIGFGVVOJCCS-UHFFFAOYSA-N 1 1 398.301 2.257 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000191857201 532372248 /nfs/dbraw/zinc/37/22/48/532372248.db2.gz SBNUOEDTVFBIEX-ZDUSSCGKSA-N 1 1 376.906 2.128 20 0 GEADMO Cn1cc(N2CC[C@H]([N@@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463430331 532372798 /nfs/dbraw/zinc/37/27/98/532372798.db2.gz VNLNJNDVGSATPJ-INIZCTEOSA-N 1 1 377.286 2.462 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000294659789 532373726 /nfs/dbraw/zinc/37/37/26/532373726.db2.gz BZQLUPNXKLPQLF-SJCJKPOMSA-N 1 1 385.302 2.309 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000294659789 532373736 /nfs/dbraw/zinc/37/37/36/532373736.db2.gz BZQLUPNXKLPQLF-SJCJKPOMSA-N 1 1 385.302 2.309 20 0 GEADMO O=C(NCC1CC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000191914822 532374156 /nfs/dbraw/zinc/37/41/56/532374156.db2.gz OPYLZUDWHLYDHN-UHFFFAOYSA-N 1 1 394.313 2.056 20 0 GEADMO C[C@H](CNC(=O)c1[nH]nc2ccc(I)cc21)[N@@H+](C)C1CC1 ZINC000463478892 532375618 /nfs/dbraw/zinc/37/56/18/532375618.db2.gz NZKPDJUWUXJUAV-SECBINFHSA-N 1 1 398.248 2.380 20 0 GEADMO C[C@H](CNC(=O)c1n[nH]c2ccc(I)cc21)[N@H+](C)C1CC1 ZINC000463478892 532375628 /nfs/dbraw/zinc/37/56/28/532375628.db2.gz NZKPDJUWUXJUAV-SECBINFHSA-N 1 1 398.248 2.380 20 0 GEADMO C[C@H](CNC(=O)c1n[nH]c2ccc(I)cc21)[N@@H+](C)C1CC1 ZINC000463478892 532375635 /nfs/dbraw/zinc/37/56/35/532375635.db2.gz NZKPDJUWUXJUAV-SECBINFHSA-N 1 1 398.248 2.380 20 0 GEADMO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000677504673 532375750 /nfs/dbraw/zinc/37/57/50/532375750.db2.gz USGGWGJHPHYFMG-HOCLYGCPSA-N 1 1 395.297 2.248 20 0 GEADMO COc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278391511 532377225 /nfs/dbraw/zinc/37/72/25/532377225.db2.gz MMRFSZOZNICWFI-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO COc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278391511 532377230 /nfs/dbraw/zinc/37/72/30/532377230.db2.gz MMRFSZOZNICWFI-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO Cc1ccc(Br)nc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000191619854 532361636 /nfs/dbraw/zinc/36/16/36/532361636.db2.gz DDTWFOVLVKYJEH-CQSZACIVSA-N 1 1 383.334 2.154 20 0 GEADMO C[N@@H+](CCN1CCOCC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191641315 532361745 /nfs/dbraw/zinc/36/17/45/532361745.db2.gz NPFFWUWWYNXVSP-UHFFFAOYSA-N 1 1 398.345 2.050 20 0 GEADMO CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCCF ZINC000557432928 532363862 /nfs/dbraw/zinc/36/38/62/532363862.db2.gz VMXVIBAUQGHKAT-QZTJIDSGSA-N 1 1 377.570 2.335 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000191715510 532363859 /nfs/dbraw/zinc/36/38/59/532363859.db2.gz BKDKPAPHXBNPIB-QMMMGPOBSA-N 1 1 377.080 2.431 20 0 GEADMO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)CCCCF ZINC000557432928 532363869 /nfs/dbraw/zinc/36/38/69/532363869.db2.gz VMXVIBAUQGHKAT-QZTJIDSGSA-N 1 1 377.570 2.335 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590012343 532365582 /nfs/dbraw/zinc/36/55/82/532365582.db2.gz RMMKYWDOZUGYON-YGRLFVJLSA-N 1 1 386.279 2.354 20 0 GEADMO CN1CC[NH+](CCCNC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000294553496 532366204 /nfs/dbraw/zinc/36/62/04/532366204.db2.gz VYLRCDRYOPQOFX-UHFFFAOYSA-N 1 1 390.272 2.295 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C[C@@H]1C ZINC000677217809 532367624 /nfs/dbraw/zinc/36/76/24/532367624.db2.gz NZVBNCAURPMFQP-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C[C@@H]1C ZINC000677217809 532367630 /nfs/dbraw/zinc/36/76/30/532367630.db2.gz NZVBNCAURPMFQP-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000515516691 532368565 /nfs/dbraw/zinc/36/85/65/532368565.db2.gz FLSLSDXLQKQFNX-ZDUSSCGKSA-N 1 1 386.323 2.452 20 0 GEADMO CS(=O)(=O)NCC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC000463206731 532368834 /nfs/dbraw/zinc/36/88/34/532368834.db2.gz ZBOBAGCSOBOWDA-UHFFFAOYSA-N 1 1 380.432 2.488 20 0 GEADMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190427 532369254 /nfs/dbraw/zinc/36/92/54/532369254.db2.gz DANVZYOAKHQJPD-OCCSQVGLSA-N 1 1 399.285 2.436 20 0 GEADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463190427 532369259 /nfs/dbraw/zinc/36/92/59/532369259.db2.gz DANVZYOAKHQJPD-OCCSQVGLSA-N 1 1 399.285 2.436 20 0 GEADMO OC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CCC1(F)F ZINC000463223306 532370172 /nfs/dbraw/zinc/37/01/72/532370172.db2.gz PSBLBDFPTDRHJR-WCQYABFASA-N 1 1 380.229 2.138 20 0 GEADMO NS(=O)(=O)c1ccc(CNC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000647166447 532370667 /nfs/dbraw/zinc/37/06/67/532370667.db2.gz NVDSFMJAZFLUCI-MRXNPFEDSA-N 1 1 383.514 2.461 20 0 GEADMO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000590402306 532371288 /nfs/dbraw/zinc/37/12/88/532371288.db2.gz CKTRXQDSYUDFBY-ZANVPECISA-N 1 1 398.248 2.332 20 0 GEADMO Cc1nn(C)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1Br ZINC000294733236 532378969 /nfs/dbraw/zinc/37/89/69/532378969.db2.gz GLXQRGSBWATTRV-QWHCGFSZSA-N 1 1 377.286 2.272 20 0 GEADMO Cc1nn(C)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1Br ZINC000294733236 532378975 /nfs/dbraw/zinc/37/89/75/532378975.db2.gz GLXQRGSBWATTRV-QWHCGFSZSA-N 1 1 377.286 2.272 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000294761322 532380667 /nfs/dbraw/zinc/38/06/67/532380667.db2.gz ISXBVJDJFKJGEN-OLZOCXBDSA-N 1 1 385.302 2.431 20 0 GEADMO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706316 532380790 /nfs/dbraw/zinc/38/07/90/532380790.db2.gz HHOTYOITYOHMLE-RYUDHWBXSA-N 1 1 378.270 2.212 20 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CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000626153492 532435543 /nfs/dbraw/zinc/43/55/43/532435543.db2.gz KKCCKQCUWKGSCK-CVEARBPZSA-N 1 1 385.302 2.179 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1ccc(F)cc1Br ZINC000518152365 532435927 /nfs/dbraw/zinc/43/59/27/532435927.db2.gz GCECWFNTACYAGA-UHFFFAOYSA-N 1 1 388.325 2.473 20 0 GEADMO CN(CCCN(C)C(=O)Cc1ccc(F)cc1Br)CC[NH+](C)C ZINC000518152365 532435930 /nfs/dbraw/zinc/43/59/30/532435930.db2.gz GCECWFNTACYAGA-UHFFFAOYSA-N 1 1 388.325 2.473 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000626166254 532436135 /nfs/dbraw/zinc/43/61/35/532436135.db2.gz QTAUUVYYOBQJPD-LBPRGKRZSA-N 1 1 391.331 2.219 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2Br)C1 ZINC000626166254 532436141 /nfs/dbraw/zinc/43/61/41/532436141.db2.gz QTAUUVYYOBQJPD-LBPRGKRZSA-N 1 1 391.331 2.219 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1c(Cl)cccc1Cl ZINC000518065026 532436392 /nfs/dbraw/zinc/43/63/92/532436392.db2.gz 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20 0 GEADMO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467177737 532441168 /nfs/dbraw/zinc/44/11/68/532441168.db2.gz XBEDUOMZANRSDZ-NEPJUHHUSA-N 1 1 398.301 2.085 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000467080323 532437875 /nfs/dbraw/zinc/43/78/75/532437875.db2.gz FGLAGRGXYAUQFV-XPTSAGLGSA-N 1 1 384.249 2.126 20 0 GEADMO COCC[N@H+]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681969329 532439654 /nfs/dbraw/zinc/43/96/54/532439654.db2.gz HWXGAFWLRVMHME-UHFFFAOYSA-N 1 1 393.285 2.187 20 0 GEADMO CSc1ccc(-c2nsc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)n2)cc1 ZINC000626567551 532439955 /nfs/dbraw/zinc/43/99/55/532439955.db2.gz UWUMZBJDGUJGLP-LBPRGKRZSA-N 1 1 379.511 2.115 20 0 GEADMO CC(C)C[N@@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000650177345 532440141 /nfs/dbraw/zinc/44/01/41/532440141.db2.gz UMNBVXJZKKPZMZ-UHFFFAOYSA-N 1 1 387.571 2.240 20 0 GEADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467180030 532440367 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CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)Cn1c[nH+]cc1C ZINC000626922924 532445485 /nfs/dbraw/zinc/44/54/85/532445485.db2.gz HEZNKJPBMXAZSW-UHFFFAOYSA-N 1 1 399.314 2.180 20 0 GEADMO CC1(C)CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1CCO ZINC000682167076 532441827 /nfs/dbraw/zinc/44/18/27/532441827.db2.gz ZYBPDYJWVHAMDF-UHFFFAOYSA-N 1 1 385.302 2.109 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000282062277 532441927 /nfs/dbraw/zinc/44/19/27/532441927.db2.gz AZLIUPWRHKOQJV-UHFFFAOYSA-N 1 1 384.311 2.351 20 0 GEADMO Cn1ccc(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000467222443 532441918 /nfs/dbraw/zinc/44/19/18/532441918.db2.gz KHHABYGDVUGLPE-UHFFFAOYSA-N 1 1 393.285 2.104 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000682434266 532446915 /nfs/dbraw/zinc/44/69/15/532446915.db2.gz GTLRUKWWHKBKEF-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000682434266 532446922 /nfs/dbraw/zinc/44/69/22/532446922.db2.gz 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c1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)n[nH]1 ZINC000738411418 599291041 /nfs/dbraw/zinc/29/10/41/599291041.db2.gz DVNRMSHWLALISA-CQSZACIVSA-N 1 1 377.412 2.019 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821255208 599291929 /nfs/dbraw/zinc/29/19/29/599291929.db2.gz WIIZORAJNFIXSS-LLVKDONJSA-N 1 1 383.378 2.491 20 0 GEADMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819854799 607325141 /nfs/dbraw/zinc/32/51/41/607325141.db2.gz CDKQTVMPZYHKQA-HNNXBMFYSA-N 1 1 376.464 2.272 20 0 GEADMO C[C@@H]1CCC[C@@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247495 598232795 /nfs/dbraw/zinc/23/27/95/598232795.db2.gz FEXHQWUJHGIVNR-AUJRIZCKSA-N 1 1 397.483 2.102 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000737546237 598242166 /nfs/dbraw/zinc/24/21/66/598242166.db2.gz BLKKBRVKJJNIRY-UHFFFAOYSA-N 1 1 383.456 2.163 20 0 GEADMO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737279342 598244228 /nfs/dbraw/zinc/24/42/28/598244228.db2.gz ARKGAWJEFFROGD-CQSZACIVSA-N 1 1 392.467 2.109 20 0 GEADMO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737279342 598244229 /nfs/dbraw/zinc/24/42/29/598244229.db2.gz ARKGAWJEFFROGD-CQSZACIVSA-N 1 1 392.467 2.109 20 0 GEADMO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735811466 598248374 /nfs/dbraw/zinc/24/83/74/598248374.db2.gz JESUOSSVWJPIBT-HNNXBMFYSA-N 1 1 386.500 2.261 20 0 GEADMO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736425290 598248735 /nfs/dbraw/zinc/24/87/35/598248735.db2.gz VMFSZYXZYZXTDX-CABCVRRESA-N 1 1 386.500 2.403 20 0 GEADMO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)NCC1CCCCC1 ZINC000737877166 598249542 /nfs/dbraw/zinc/24/95/42/598249542.db2.gz UVXJFUKLMKOTFC-UHFFFAOYSA-N 1 1 398.511 2.406 20 0 GEADMO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)o1 ZINC000736951097 598251987 /nfs/dbraw/zinc/25/19/87/598251987.db2.gz NCOBDPOLYSLWJP-ZDUSSCGKSA-N 1 1 382.424 2.130 20 0 GEADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738388903 598253332 /nfs/dbraw/zinc/25/33/32/598253332.db2.gz UHFPWYWGHZHXHH-SJLPKXTDSA-N 1 1 383.427 2.235 20 0 GEADMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737420735 598255493 /nfs/dbraw/zinc/25/54/93/598255493.db2.gz HBOSUMOOINLIIP-MSOLQXFVSA-N 1 1 379.464 2.404 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H]1OCCc2ccccc21 ZINC000736793161 598257961 /nfs/dbraw/zinc/25/79/61/598257961.db2.gz SVMXFZKMWYMCEN-LJQANCHMSA-N 1 1 392.463 2.441 20 0 GEADMO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736269391 598261893 /nfs/dbraw/zinc/26/18/93/598261893.db2.gz WLHFYAJYGXFRMM-OAHLLOKOSA-N 1 1 384.484 2.111 20 0 GEADMO Cc1c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c(=O)n(-c2ccccc2)n1C ZINC000737212920 598315318 /nfs/dbraw/zinc/31/53/18/598315318.db2.gz UIZFSRQLDWKBEJ-UHFFFAOYSA-N 1 1 393.426 2.093 20 0 GEADMO C[N@@H+](CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736801127 598325915 /nfs/dbraw/zinc/32/59/15/598325915.db2.gz RVGSYIBPNIOBEF-UHFFFAOYSA-N 1 1 375.452 2.070 20 0 GEADMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC000737353406 598341574 /nfs/dbraw/zinc/34/15/74/598341574.db2.gz WFDMXSCTNVPIFA-MRXNPFEDSA-N 1 1 382.447 2.205 20 0 GEADMO C[C@H]1CN(Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736291002 598364776 /nfs/dbraw/zinc/36/47/76/598364776.db2.gz TVVZPCDKXVLTLZ-MGPUTAFESA-N 1 1 396.470 2.246 20 0 GEADMO Cc1csc(N2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC000737452870 598364986 /nfs/dbraw/zinc/36/49/86/598364986.db2.gz PAVFIXLPEDXBDY-CQSZACIVSA-N 1 1 385.497 2.221 20 0 GEADMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737509484 598369043 /nfs/dbraw/zinc/36/90/43/598369043.db2.gz GRHADNSBWKJSNR-KRWDZBQOSA-N 1 1 394.483 2.383 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000110001669 598375094 /nfs/dbraw/zinc/37/50/94/598375094.db2.gz ILTFLKXWZUZRFM-UHFFFAOYSA-N 1 1 397.508 2.160 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736322448 598424791 /nfs/dbraw/zinc/42/47/91/598424791.db2.gz KRRPSODGUGIOTA-AWEZNQCLSA-N 1 1 398.467 2.499 20 0 GEADMO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000735875602 598429071 /nfs/dbraw/zinc/42/90/71/598429071.db2.gz WOCNDUPYNTYQHL-ZWKOTPCHSA-N 1 1 383.500 2.414 20 0 GEADMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000737090621 598431805 /nfs/dbraw/zinc/43/18/05/598431805.db2.gz KXWIFJLXOAOGPW-UHFFFAOYSA-N 1 1 378.436 2.478 20 0 GEADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000737090621 598431807 /nfs/dbraw/zinc/43/18/07/598431807.db2.gz KXWIFJLXOAOGPW-UHFFFAOYSA-N 1 1 378.436 2.478 20 0 GEADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738036764 598439101 /nfs/dbraw/zinc/43/91/01/598439101.db2.gz DTKIXZJFJQEIBS-QGZVFWFLSA-N 1 1 397.870 2.482 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCCOC1 ZINC000736792764 598469690 /nfs/dbraw/zinc/46/96/90/598469690.db2.gz NTVGBTVSPXORDH-LBPRGKRZSA-N 1 1 390.513 2.104 20 0 GEADMO COc1c(C)c[nH+]c(CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1C ZINC000737026980 598474995 /nfs/dbraw/zinc/47/49/95/598474995.db2.gz VOVBKCMFLNAVTM-UHFFFAOYSA-N 1 1 397.458 2.348 20 0 GEADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738050621 598478836 /nfs/dbraw/zinc/47/88/36/598478836.db2.gz SRARGVRITFFESG-OAHLLOKOSA-N 1 1 381.484 2.025 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736565933 598486932 /nfs/dbraw/zinc/48/69/32/598486932.db2.gz UWJRUEDTSQQJQJ-CQSZACIVSA-N 1 1 396.451 2.110 20 0 GEADMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1-c1nn[nH]n1 ZINC000737188522 598497668 /nfs/dbraw/zinc/49/76/68/598497668.db2.gz AKNYUZQSTUSRGD-CYBMUJFWSA-N 1 1 399.524 2.075 20 0 GEADMO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736535881 598508980 /nfs/dbraw/zinc/50/89/80/598508980.db2.gz ZXGUFBOWZMKQMG-OAHLLOKOSA-N 1 1 385.516 2.248 20 0 GEADMO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736535880 598509110 /nfs/dbraw/zinc/50/91/10/598509110.db2.gz ZXGUFBOWZMKQMG-HNNXBMFYSA-N 1 1 385.516 2.248 20 0 GEADMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737146652 598526004 /nfs/dbraw/zinc/52/60/04/598526004.db2.gz IOYPOLWGMOIGBB-QFBILLFUSA-N 1 1 395.463 2.452 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000735856458 598548080 /nfs/dbraw/zinc/54/80/80/598548080.db2.gz HFSTTWYCTLBKGC-UHFFFAOYSA-N 1 1 398.467 2.499 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000737477289 598565689 /nfs/dbraw/zinc/56/56/89/598565689.db2.gz MDLVDCCGYWTPQJ-UHFFFAOYSA-N 1 1 397.508 2.160 20 0 GEADMO CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000736542014 598614465 /nfs/dbraw/zinc/61/44/65/598614465.db2.gz NALDGYZQPHBQAT-UHFFFAOYSA-N 1 1 394.479 2.469 20 0 GEADMO CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735605225 598616405 /nfs/dbraw/zinc/61/64/05/598616405.db2.gz SIQZYZLIPCMUGC-UHFFFAOYSA-N 1 1 380.880 2.189 20 0 GEADMO CC[N@@H+]([C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736510930 598621703 /nfs/dbraw/zinc/62/17/03/598621703.db2.gz ABEMIOTWSCQIIN-FZMZJTMJSA-N 1 1 382.390 2.413 20 0 GEADMO CC[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736541467 598621769 /nfs/dbraw/zinc/62/17/69/598621769.db2.gz HIYHXECMRUMUFR-IBGZPJMESA-N 1 1 392.463 2.373 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736401290 598625844 /nfs/dbraw/zinc/62/58/44/598625844.db2.gz HTSNGUWWXVTNDH-OAHLLOKOSA-N 1 1 386.500 2.262 20 0 GEADMO O=C(CC[N@@H+]1CCc2ccc(O)cc2CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737848504 598684618 /nfs/dbraw/zinc/68/46/18/598684618.db2.gz ZZZJDBXQSSLSLJ-UHFFFAOYSA-N 1 1 378.436 2.002 20 0 GEADMO C[C@H](CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)[N@@H+](C)C1CC1 ZINC000736026576 598687990 /nfs/dbraw/zinc/68/79/90/598687990.db2.gz VCGDXVOIUMJZGG-CYBMUJFWSA-N 1 1 393.451 2.267 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736018912 598704513 /nfs/dbraw/zinc/70/45/13/598704513.db2.gz BLHKVXUFBSEUNS-CYBMUJFWSA-N 1 1 376.461 2.091 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736018915 598704522 /nfs/dbraw/zinc/70/45/22/598704522.db2.gz BLHKVXUFBSEUNS-ZDUSSCGKSA-N 1 1 376.461 2.091 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737194568 598716044 /nfs/dbraw/zinc/71/60/44/598716044.db2.gz OKBPOZHFFVFMTQ-MRXNPFEDSA-N 1 1 391.479 2.283 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737194568 598716046 /nfs/dbraw/zinc/71/60/46/598716046.db2.gz OKBPOZHFFVFMTQ-MRXNPFEDSA-N 1 1 391.479 2.283 20 0 GEADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccccc1-c1nn[nH]n1 ZINC000735998922 598748648 /nfs/dbraw/zinc/74/86/48/598748648.db2.gz WFCVSNFJPMWUGR-LBPRGKRZSA-N 1 1 389.460 2.368 20 0 GEADMO CCCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736451475 598764980 /nfs/dbraw/zinc/76/49/80/598764980.db2.gz ODIFXZHSWWYOEE-HNNXBMFYSA-N 1 1 386.500 2.405 20 0 GEADMO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735537109 598766073 /nfs/dbraw/zinc/76/60/73/598766073.db2.gz JJVILSVYJIEPMS-CQSZACIVSA-N 1 1 384.484 2.157 20 0 GEADMO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCCC1 ZINC000737875394 598767222 /nfs/dbraw/zinc/76/72/22/598767222.db2.gz KZZRJWSVAOEKBJ-UHFFFAOYSA-N 1 1 384.484 2.113 20 0 GEADMO C[N@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736850126 598814301 /nfs/dbraw/zinc/81/43/01/598814301.db2.gz ZSPRMLDGNUULAX-INIZCTEOSA-N 1 1 378.436 2.336 20 0 GEADMO 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ZINC000417729658 648259848 /nfs/dbraw/zinc/25/98/48/648259848.db2.gz NELJFXXZMOQAOA-JQWIXIFHSA-N 1 1 393.289 2.113 20 0 GEADMO CC(C)[C@@H]([NH3+])CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417732148 648260323 /nfs/dbraw/zinc/26/03/23/648260323.db2.gz PJLZLGDHHITOGT-LBPRGKRZSA-N 1 1 381.278 2.017 20 0 GEADMO CC(C)[C@@H]([NH3+])CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417732148 648260326 /nfs/dbraw/zinc/26/03/26/648260326.db2.gz PJLZLGDHHITOGT-LBPRGKRZSA-N 1 1 381.278 2.017 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2I)[C@H](C)C1 ZINC000418036911 648272764 /nfs/dbraw/zinc/27/27/64/648272764.db2.gz WXPASIOMPZTKAX-VXGBXAGGSA-N 1 1 392.256 2.317 20 0 GEADMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000418046919 648273223 /nfs/dbraw/zinc/27/32/23/648273223.db2.gz PSXSDSLSGREHOR-AWEZNQCLSA-N 1 1 376.213 2.388 20 0 GEADMO CCn1cncc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000418038501 648273380 /nfs/dbraw/zinc/27/33/80/648273380.db2.gz FUVJEEDPYFTBFX-UHFFFAOYSA-N 1 1 384.221 2.236 20 0 GEADMO COc1cc(Br)c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1OC ZINC000418107577 648281070 /nfs/dbraw/zinc/28/10/70/648281070.db2.gz FBQPBYQGVFKODI-STQMWFEESA-N 1 1 387.318 2.353 20 0 GEADMO C[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H]1C[NH3+] ZINC000418255771 648290143 /nfs/dbraw/zinc/29/01/43/648290143.db2.gz BHMZVKSYNDEDNN-GHMZBOCLSA-N 1 1 380.290 2.452 20 0 GEADMO [NH3+]CC[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)C(F)F ZINC000418265562 648290312 /nfs/dbraw/zinc/29/03/12/648290312.db2.gz LVHNTGOZSWPUDM-VIFPVBQESA-N 1 1 376.205 2.107 20 0 GEADMO COCCN(Cc1sccc1Br)C(=O)NCC(F)(F)C[NH3+] ZINC000418524385 648299961 /nfs/dbraw/zinc/29/99/61/648299961.db2.gz NCEBAUPIJKJUHG-UHFFFAOYSA-N 1 1 386.262 2.263 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419328725 648347537 /nfs/dbraw/zinc/34/75/37/648347537.db2.gz DXEIQKQAAHWDJX-ZIAGYGMSSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419326743 648347684 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396.329 2.402 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000419515654 648355741 /nfs/dbraw/zinc/35/57/41/648355741.db2.gz FVLWQEZHJGGLLP-UWWPHRKUSA-N 1 1 396.329 2.402 20 0 GEADMO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000419835161 648384182 /nfs/dbraw/zinc/38/41/82/648384182.db2.gz XZQVRVAXRHTFCP-NEPJUHHUSA-N 1 1 382.096 2.218 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc(I)c1 ZINC000420767713 648454497 /nfs/dbraw/zinc/45/44/97/648454497.db2.gz NLCWGEGORNVAHN-LBPRGKRZSA-N 1 1 394.278 2.006 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421204109 648470607 /nfs/dbraw/zinc/47/06/07/648470607.db2.gz SBMBCDIHWNNQAI-ZDUSSCGKSA-N 1 1 394.313 2.138 20 0 GEADMO C[C@H](NC(=O)C(=O)N1CCc2c1cccc2Br)C1=CC[N@@H+](C)CC1 ZINC000421218132 648472578 /nfs/dbraw/zinc/47/25/78/648472578.db2.gz LADZBQASKIHFPX-LBPRGKRZSA-N 1 1 392.297 2.105 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421296192 648485333 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CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1ccc(I)cc1 ZINC000421700258 648505210 /nfs/dbraw/zinc/50/52/10/648505210.db2.gz DLGUNYIAKZRHFW-CYBMUJFWSA-N 1 1 388.249 2.223 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000421701095 648505380 /nfs/dbraw/zinc/50/53/80/648505380.db2.gz HAGKIGBXRXWIKX-JKSUJKDBSA-N 1 1 381.929 2.408 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000422069168 648519515 /nfs/dbraw/zinc/51/95/15/648519515.db2.gz DHSVLFDVWSMRNK-CABCVRRESA-N 1 1 394.313 2.117 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000422274862 648532305 /nfs/dbraw/zinc/53/23/05/648532305.db2.gz ZNTUHZJDWYHHLX-LBPRGKRZSA-N 1 1 380.901 2.119 20 0 GEADMO COc1cc(Br)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1O ZINC000425370745 648674603 /nfs/dbraw/zinc/67/46/03/648674603.db2.gz JYXVHZBWTPXPAV-UHFFFAOYSA-N 1 1 384.274 2.153 20 0 GEADMO CN1C(=O)NCC12CC[NH+](Cc1cccc(I)c1)CC2 ZINC000425373586 648674701 /nfs/dbraw/zinc/67/47/01/648674701.db2.gz PYXBNYWKQYQOCF-UHFFFAOYSA-N 1 1 385.249 2.281 20 0 GEADMO CN1C(=O)NCC12CC[NH+](Cc1ccc(I)cc1)CC2 ZINC000425370019 648674775 /nfs/dbraw/zinc/67/47/75/648674775.db2.gz ILBXLUQYEHJEEQ-UHFFFAOYSA-N 1 1 385.249 2.281 20 0 GEADMO C[N@@H+]1CC[C@H](NC(=O)NCCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000425493763 648681733 /nfs/dbraw/zinc/68/17/33/648681733.db2.gz QXWXLZULUMRPLW-JKSUJKDBSA-N 1 1 387.933 2.209 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)NCCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000425493763 648681739 /nfs/dbraw/zinc/68/17/39/648681739.db2.gz QXWXLZULUMRPLW-JKSUJKDBSA-N 1 1 387.933 2.209 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425518135 648683465 /nfs/dbraw/zinc/68/34/65/648683465.db2.gz MKSLWFYPOSXNIT-JKSUJKDBSA-N 1 1 395.297 2.258 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000425817410 648698839 /nfs/dbraw/zinc/69/88/39/648698839.db2.gz WEHCXQXTOBTUBM-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)CN(C)C ZINC000425917841 648701307 /nfs/dbraw/zinc/70/13/07/648701307.db2.gz HATFVCCYJYAJMR-SMDDNHRTSA-N 1 1 375.332 2.455 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000428574601 648738437 /nfs/dbraw/zinc/73/84/37/648738437.db2.gz NHVLNGBWGAATBX-AWEZNQCLSA-N 1 1 387.933 2.275 20 0 GEADMO C[C@H](CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000428573481 648738480 /nfs/dbraw/zinc/73/84/80/648738480.db2.gz NASPVKAVBZWSEN-HIFRSBDPSA-N 1 1 398.345 2.382 20 0 GEADMO CN(C(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1nccs1 ZINC000429006828 648742115 /nfs/dbraw/zinc/74/21/15/648742115.db2.gz NSZAYXIKFJYMRG-GFCCVEGCSA-N 1 1 388.262 2.331 20 0 GEADMO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000429141224 648746666 /nfs/dbraw/zinc/74/66/66/648746666.db2.gz JQHLITWAQDXRFR-LDYMZIIASA-N 1 1 384.221 2.025 20 0 GEADMO C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)no1 ZINC000430117960 648758956 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C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2F)C[N@@H+]1C1CC1 ZINC000579155261 652320959 /nfs/dbraw/zinc/32/09/59/652320959.db2.gz GHBVKTFGIABBQX-ZJUUUORDSA-N 1 1 377.279 2.492 20 0 GEADMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2F)C[N@H+]1C1CC1 ZINC000579155261 652320961 /nfs/dbraw/zinc/32/09/61/652320961.db2.gz GHBVKTFGIABBQX-ZJUUUORDSA-N 1 1 377.279 2.492 20 0 GEADMO O=C1CCCN1[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625273929 652338498 /nfs/dbraw/zinc/33/84/98/652338498.db2.gz BIGCOJWKGWSMNX-ZBFHGGJFSA-N 1 1 392.297 2.399 20 0 GEADMO O=C1CCCN1[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625273929 652338505 /nfs/dbraw/zinc/33/85/05/652338505.db2.gz BIGCOJWKGWSMNX-ZBFHGGJFSA-N 1 1 392.297 2.399 20 0 GEADMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(OC)cccc2OC(F)(F)F)C1 ZINC000625281398 652339668 /nfs/dbraw/zinc/33/96/68/652339668.db2.gz BDDOJBPKXSRTLD-LLVKDONJSA-N 1 1 382.404 2.356 20 0 GEADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000751364674 652342624 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C[NH2+][C@H](C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(Cl)c1Cl ZINC000659320466 652353891 /nfs/dbraw/zinc/35/38/91/652353891.db2.gz GQAPSTXDKULYFW-YVLXSGLVSA-N 1 1 388.295 2.006 20 0 GEADMO C[NH2+][C@H](C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc(Cl)c1Cl ZINC000659320465 652353989 /nfs/dbraw/zinc/35/39/89/652353989.db2.gz GQAPSTXDKULYFW-XEGUGMAKSA-N 1 1 388.295 2.006 20 0 GEADMO CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659315605 652354108 /nfs/dbraw/zinc/35/41/08/652354108.db2.gz SHCGZOHDANBERR-SNVBAGLBSA-N 1 1 386.315 2.101 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000579892175 652359784 /nfs/dbraw/zinc/35/97/84/652359784.db2.gz ABAZQOHMTWAPHT-NSHDSACASA-N 1 1 394.269 2.153 20 0 GEADMO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1cccc2c1OCC2 ZINC000579942070 652360170 /nfs/dbraw/zinc/36/01/70/652360170.db2.gz PVLZCDDDACRTCG-UHFFFAOYSA-N 1 1 382.551 2.261 20 0 GEADMO CN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000580102650 652366863 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Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626009792 652379117 /nfs/dbraw/zinc/37/91/17/652379117.db2.gz TVHISPZRAVNSQM-MRXNPFEDSA-N 1 1 392.297 2.492 20 0 GEADMO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000626009792 652379120 /nfs/dbraw/zinc/37/91/20/652379120.db2.gz TVHISPZRAVNSQM-MRXNPFEDSA-N 1 1 392.297 2.492 20 0 GEADMO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000580426493 652380395 /nfs/dbraw/zinc/38/03/95/652380395.db2.gz GYOXOEWHKNCEQR-STQMWFEESA-N 1 1 378.274 2.239 20 0 GEADMO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000580426493 652380398 /nfs/dbraw/zinc/38/03/98/652380398.db2.gz GYOXOEWHKNCEQR-STQMWFEESA-N 1 1 378.274 2.239 20 0 GEADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626041421 652380864 /nfs/dbraw/zinc/38/08/64/652380864.db2.gz XCGUKFKWSIJDOE-DLKVLKDVSA-N 1 1 388.327 2.439 20 0 GEADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626041421 652380869 /nfs/dbraw/zinc/38/08/69/652380869.db2.gz XCGUKFKWSIJDOE-DLKVLKDVSA-N 1 1 388.327 2.439 20 0 GEADMO C[C@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@@H+]1CCO ZINC000580554782 652383187 /nfs/dbraw/zinc/38/31/87/652383187.db2.gz BAWXONNAVNOUCX-JTQLQIEISA-N 1 1 393.228 2.189 20 0 GEADMO C[C@H]1CN(C(=O)c2cc(Br)ccc2OC(F)F)CC[N@H+]1CCO ZINC000580554782 652383190 /nfs/dbraw/zinc/38/31/90/652383190.db2.gz BAWXONNAVNOUCX-JTQLQIEISA-N 1 1 393.228 2.189 20 0 GEADMO COc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1Br ZINC000626201694 652385119 /nfs/dbraw/zinc/38/51/19/652385119.db2.gz ULUBSXVFTJKLSF-CQSZACIVSA-N 1 1 385.302 2.424 20 0 GEADMO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000660092875 652385810 /nfs/dbraw/zinc/38/58/10/652385810.db2.gz VJYFQOUSVIROBB-ZDUSSCGKSA-N 1 1 379.309 2.213 20 0 GEADMO Cc1nn(C)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1Br ZINC000580618687 652386111 /nfs/dbraw/zinc/38/61/11/652386111.db2.gz UGQLFZBFPTXJMX-NSHDSACASA-N 1 1 384.299 2.152 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000580719901 652390021 /nfs/dbraw/zinc/39/00/21/652390021.db2.gz CRVHYPBDUUYEBV-AWEZNQCLSA-N 1 1 386.334 2.216 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)NCCCN(C)CC[NH+](C)C ZINC000580719901 652390023 /nfs/dbraw/zinc/39/00/23/652390023.db2.gz CRVHYPBDUUYEBV-AWEZNQCLSA-N 1 1 386.334 2.216 20 0 GEADMO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000660148887 652390489 /nfs/dbraw/zinc/39/04/89/652390489.db2.gz RZMWBBIQTUQVPJ-QWRGUYRKSA-N 1 1 384.192 2.318 20 0 GEADMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000660148887 652390492 /nfs/dbraw/zinc/39/04/92/652390492.db2.gz RZMWBBIQTUQVPJ-QWRGUYRKSA-N 1 1 384.192 2.318 20 0 GEADMO Cc1cc(C)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000580751398 652391110 /nfs/dbraw/zinc/39/11/10/652391110.db2.gz UBJIQSHCHREQGH-GOSISDBHSA-N 1 1 380.535 2.280 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000626413407 652391613 /nfs/dbraw/zinc/39/16/13/652391613.db2.gz LZRLPISSNYOZBT-ZDUSSCGKSA-N 1 1 387.253 2.050 20 0 GEADMO COc1c(Br)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1Br ZINC000580800804 652392848 /nfs/dbraw/zinc/39/28/48/652392848.db2.gz QJSUUUZGPIDKSQ-VXGBXAGGSA-N 1 1 395.091 2.412 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752782033 652393171 /nfs/dbraw/zinc/39/31/71/652393171.db2.gz RPPLDENCFPQAQB-HNNXBMFYSA-N 1 1 383.945 2.390 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000626461315 652393273 /nfs/dbraw/zinc/39/32/73/652393273.db2.gz WWDHMHUQHONMLM-CYBMUJFWSA-N 1 1 399.182 2.403 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1nc2c(cccc2Br)s1 ZINC000626564889 652396002 /nfs/dbraw/zinc/39/60/02/652396002.db2.gz LDQFQKHNEFLRMM-SECBINFHSA-N 1 1 385.287 2.247 20 0 GEADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nn1cc(Br)cn1 ZINC000752909270 652395971 /nfs/dbraw/zinc/39/59/71/652395971.db2.gz LQQYWTJTGNMWOE-OAHLLOKOSA-N 1 1 379.258 2.007 20 0 GEADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nn1cc(Br)cn1 ZINC000752909270 652395977 /nfs/dbraw/zinc/39/59/77/652395977.db2.gz LQQYWTJTGNMWOE-OAHLLOKOSA-N 1 1 379.258 2.007 20 0 GEADMO COc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1Br ZINC000626592105 652396890 /nfs/dbraw/zinc/39/68/90/652396890.db2.gz CVOCHDYJLOEKBT-GFCCVEGCSA-N 1 1 385.302 2.375 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cccc(Br)c1F ZINC000626613468 652397453 /nfs/dbraw/zinc/39/74/53/652397453.db2.gz NSCCCLHYLRGPHP-LBPRGKRZSA-N 1 1 387.253 2.050 20 0 GEADMO O=C1C(=O)N(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)C(=O)N1Cc1cccs1 ZINC000753105720 652399853 /nfs/dbraw/zinc/39/98/53/652399853.db2.gz MSMOPOXJTBJBLN-ZIAGYGMSSA-N 1 1 379.507 2.356 20 0 GEADMO O=C1C(=O)N(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)C(=O)N1Cc1cccs1 ZINC000753105720 652399854 /nfs/dbraw/zinc/39/98/54/652399854.db2.gz MSMOPOXJTBJBLN-ZIAGYGMSSA-N 1 1 379.507 2.356 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753138809 652400216 /nfs/dbraw/zinc/40/02/16/652400216.db2.gz UTQRJCGGOBAIAR-BXUZGUMPSA-N 1 1 387.311 2.362 20 0 GEADMO C[C@@](O)(C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)F ZINC000581067061 652400301 /nfs/dbraw/zinc/40/03/01/652400301.db2.gz UCAFDKSBBUSMEM-WCQYABFASA-N 1 1 381.192 2.457 20 0 GEADMO COC[C@H](C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)OC ZINC000660389405 652400804 /nfs/dbraw/zinc/40/08/04/652400804.db2.gz SKDPZJQEBVDWET-AWEZNQCLSA-N 1 1 391.295 2.178 20 0 GEADMO C[C@H]1CN(CC[N@@H+](CCO)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000660410994 652401240 /nfs/dbraw/zinc/40/12/40/652401240.db2.gz KDNGEZHIKHOUND-STQMWFEESA-N 1 1 377.348 2.414 20 0 GEADMO CO[C@H](C[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1)C1CCCCC1 ZINC000660544768 652406347 /nfs/dbraw/zinc/40/63/47/652406347.db2.gz OXEKXQDOOBMZFN-RBSFLKMASA-N 1 1 386.480 2.336 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](OC)[C@H]2CCOC2)c1 ZINC000660691042 652410299 /nfs/dbraw/zinc/41/02/99/652410299.db2.gz FMPCMWSMNFMWSD-ZLIFDBKOSA-N 1 1 388.302 2.474 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](OC)[C@H]2CCOC2)c1 ZINC000660691042 652410300 /nfs/dbraw/zinc/41/03/00/652410300.db2.gz FMPCMWSMNFMWSD-ZLIFDBKOSA-N 1 1 388.302 2.474 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C[N@H+]1C1CC1 ZINC000753707252 652413325 /nfs/dbraw/zinc/41/33/25/652413325.db2.gz PSQPRHSEWYFDFG-NEPJUHHUSA-N 1 1 390.285 2.385 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)s1 ZINC000660934274 652415312 /nfs/dbraw/zinc/41/53/12/652415312.db2.gz OLXJPCCHUZVKRG-ZYHUDNBSSA-N 1 1 376.320 2.337 20 0 GEADMO Cc1cc(Br)c(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000660934274 652415313 /nfs/dbraw/zinc/41/53/13/652415313.db2.gz OLXJPCCHUZVKRG-ZYHUDNBSSA-N 1 1 376.320 2.337 20 0 GEADMO Cc1cc(NC(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000661144571 652420523 /nfs/dbraw/zinc/42/05/23/652420523.db2.gz LFDOKXQQWPWFLR-ZDUSSCGKSA-N 1 1 378.274 2.310 20 0 GEADMO O=C(c1c(F)cc(Br)cc1F)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627260517 652421101 /nfs/dbraw/zinc/42/11/01/652421101.db2.gz JUPIYQDUXQSJJG-GHMZBOCLSA-N 1 1 375.213 2.008 20 0 GEADMO O=C(N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)C1(c2ccccc2Br)CC1 ZINC000627264636 652421952 /nfs/dbraw/zinc/42/19/52/652421952.db2.gz XBCHTCBIPQPDIN-KBPBESRZSA-N 1 1 379.298 2.148 20 0 GEADMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000581693446 652422106 /nfs/dbraw/zinc/42/21/06/652422106.db2.gz XYXURFWXPXAZDR-QGZVFWFLSA-N 1 1 388.917 2.399 20 0 GEADMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000581693446 652422109 /nfs/dbraw/zinc/42/21/09/652422109.db2.gz XYXURFWXPXAZDR-QGZVFWFLSA-N 1 1 388.917 2.399 20 0 GEADMO CSc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1Br ZINC000627345919 652423843 /nfs/dbraw/zinc/42/38/43/652423843.db2.gz ZJDIIDOPHPVHDO-JTQLQIEISA-N 1 1 386.315 2.177 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000661237100 652424321 /nfs/dbraw/zinc/42/43/21/652424321.db2.gz FJBUGXONJSYLAG-CQSZACIVSA-N 1 1 376.284 2.048 20 0 GEADMO COc1ncc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1Br ZINC000581812205 652425904 /nfs/dbraw/zinc/42/59/04/652425904.db2.gz PDONZCFZXOQUSM-LSDHHAIUSA-N 1 1 398.301 2.226 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661386341 652429940 /nfs/dbraw/zinc/42/99/40/652429940.db2.gz RXUSNHYZFHACFM-HNNXBMFYSA-N 1 1 376.328 2.055 20 0 GEADMO CO[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000661396850 652430546 /nfs/dbraw/zinc/43/05/46/652430546.db2.gz RZGRXKAUOSSCDG-MRXNPFEDSA-N 1 1 389.265 2.390 20 0 GEADMO CO[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000661397830 652430681 /nfs/dbraw/zinc/43/06/81/652430681.db2.gz WRGSPTWFYAJFRO-KSSFIOAISA-N 1 1 399.329 2.269 20 0 GEADMO COC[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc(OC)c1 ZINC000661470887 652432255 /nfs/dbraw/zinc/43/22/55/652432255.db2.gz RSNRPVSBKUMWDE-KRWDZBQOSA-N 1 1 384.885 2.473 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627574562 652433323 /nfs/dbraw/zinc/43/33/23/652433323.db2.gz JUMCOETUOHTWGD-ZYRRHWMLSA-N 1 1 393.325 2.298 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000661597561 652434380 /nfs/dbraw/zinc/43/43/80/652434380.db2.gz QQPIGWNALJHRQH-HZMBPMFUSA-N 1 1 391.269 2.109 20 0 GEADMO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000661597561 652434384 /nfs/dbraw/zinc/43/43/84/652434384.db2.gz QQPIGWNALJHRQH-HZMBPMFUSA-N 1 1 391.269 2.109 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596590 652434547 /nfs/dbraw/zinc/43/45/47/652434547.db2.gz DUVOYQAURWFBAW-TYNCELHUSA-N 1 1 380.286 2.377 20 0 GEADMO CSC1(CN[C@H](C(N)=O)c2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000582094723 652435269 /nfs/dbraw/zinc/43/52/69/652435269.db2.gz AVRLUNZJGVVXGY-AWEZNQCLSA-N 1 1 386.359 2.393 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627934108 652443866 /nfs/dbraw/zinc/44/38/66/652443866.db2.gz OWYTYLVMIQZWAS-LRVUVFPRSA-N 1 1 383.286 2.196 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000628028573 652446519 /nfs/dbraw/zinc/44/65/19/652446519.db2.gz UTIHWQCAHOHXAY-NSHDSACASA-N 1 1 391.269 2.146 20 0 GEADMO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154524 652449218 /nfs/dbraw/zinc/44/92/18/652449218.db2.gz GCGYVYDLTIYETA-HUUCEWRRSA-N 1 1 389.323 2.264 20 0 GEADMO C[N@@H+]1CCN(C(=O)NCCn2cc(Br)cn2)[C@@H](c2ccccc2)C1 ZINC000582439575 652450637 /nfs/dbraw/zinc/45/06/37/652450637.db2.gz POPKKYVTSYBALS-MRXNPFEDSA-N 1 1 392.301 2.344 20 0 GEADMO C[N@H+]1CCN(C(=O)NCCn2cc(Br)cn2)[C@@H](c2ccccc2)C1 ZINC000582439575 652450640 /nfs/dbraw/zinc/45/06/40/652450640.db2.gz POPKKYVTSYBALS-MRXNPFEDSA-N 1 1 392.301 2.344 20 0 GEADMO [NH3+][C@@H](C(=O)NCCc1cn2c(n1)CCCC2)c1ccccc1Br ZINC000662377921 652457834 /nfs/dbraw/zinc/45/78/34/652457834.db2.gz SIQJSMTXMZJEFN-MRXNPFEDSA-N 1 1 377.286 2.341 20 0 GEADMO CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662430353 652460546 /nfs/dbraw/zinc/46/05/46/652460546.db2.gz QFEQULAPPFUQST-IUODEOHRSA-N 1 1 382.302 2.214 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(N2CCCC2=O)CC1 ZINC000662447519 652461408 /nfs/dbraw/zinc/46/14/08/652461408.db2.gz YHXZXYNAVGZPID-UHFFFAOYSA-N 1 1 398.326 2.341 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)c1ccccc1Br ZINC000662446029 652461430 /nfs/dbraw/zinc/46/14/30/652461430.db2.gz CRXBZUDBNZHPGA-MRXNPFEDSA-N 1 1 380.286 2.062 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1Br ZINC000662456587 652462232 /nfs/dbraw/zinc/46/22/32/652462232.db2.gz SWTSNXHQSWUAHZ-CZUORRHYSA-N 1 1 394.313 2.310 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cccc(Cl)c1Cl ZINC000662499333 652464488 /nfs/dbraw/zinc/46/44/88/652464488.db2.gz YNKOOQQJSJXGSS-ZDUSSCGKSA-N 1 1 379.309 2.290 20 0 GEADMO [NH3+][C@@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1Br ZINC000662501649 652464908 /nfs/dbraw/zinc/46/49/08/652464908.db2.gz KPUVCKZNJHVEOT-XJKSGUPXSA-N 1 1 394.313 2.356 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2CCC(C)(C)O2)CC1 ZINC000582889068 652465349 /nfs/dbraw/zinc/46/53/49/652465349.db2.gz KXKHMEIMZQFJOJ-AWEZNQCLSA-N 1 1 397.317 2.492 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCN(C(=O)C2CC2)CC1 ZINC000662525779 652466080 /nfs/dbraw/zinc/46/60/80/652466080.db2.gz ZRTFUIFVEVGBLZ-UHFFFAOYSA-N 1 1 398.326 2.198 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000662532858 652466524 /nfs/dbraw/zinc/46/65/24/652466524.db2.gz ZLHACYBVPLTGLM-NSHDSACASA-N 1 1 385.205 2.253 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1Br ZINC000662546667 652467615 /nfs/dbraw/zinc/46/76/15/652467615.db2.gz VPOMBWYVHHXZNR-VBNZEHGJSA-N 1 1 397.313 2.133 20 0 GEADMO O=C(NC[C@@H](CO)Cc1cccnc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662546700 652467645 /nfs/dbraw/zinc/46/76/45/652467645.db2.gz ZOBCHIJWWMCFLD-NSHDSACASA-N 1 1 396.310 2.090 20 0 GEADMO Cc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1Br ZINC000582949248 652468185 /nfs/dbraw/zinc/46/81/85/652468185.db2.gz GQIQFRIMOGKFHS-UHFFFAOYSA-N 1 1 397.313 2.369 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000628739952 652469466 /nfs/dbraw/zinc/46/94/66/652469466.db2.gz OXEVOOGRZJUOIT-ZDUSSCGKSA-N 1 1 382.302 2.027 20 0 GEADMO Cc1ccsc1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000583013105 652471238 /nfs/dbraw/zinc/47/12/38/652471238.db2.gz MSWVSYWJJFBRMG-CYBMUJFWSA-N 1 1 377.535 2.297 20 0 GEADMO Cc1ccsc1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000583013105 652471241 /nfs/dbraw/zinc/47/12/41/652471241.db2.gz MSWVSYWJJFBRMG-CYBMUJFWSA-N 1 1 377.535 2.297 20 0 GEADMO COc1ncc(Br)cc1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000628794055 652471356 /nfs/dbraw/zinc/47/13/56/652471356.db2.gz OKCUJKBXBVZBGB-NSHDSACASA-N 1 1 379.258 2.236 20 0 GEADMO Cc1nccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000583121375 652473368 /nfs/dbraw/zinc/47/33/68/652473368.db2.gz IHWZIDLFUWIZOU-TXEJJXNPSA-N 1 1 385.306 2.147 20 0 GEADMO Cc1nccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000583121375 652473372 /nfs/dbraw/zinc/47/33/72/652473372.db2.gz IHWZIDLFUWIZOU-TXEJJXNPSA-N 1 1 385.306 2.147 20 0 GEADMO O=C(NCCn1cc(Br)cn1)NCC[N@H+]1CCc2ccccc2C1 ZINC000583161829 652474696 /nfs/dbraw/zinc/47/46/96/652474696.db2.gz RDHFDMRDHNLXLY-UHFFFAOYSA-N 1 1 392.301 2.003 20 0 GEADMO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000583181729 652475689 /nfs/dbraw/zinc/47/56/89/652475689.db2.gz YVBYNJHGTUQGNI-CYBMUJFWSA-N 1 1 391.317 2.347 20 0 GEADMO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000583181729 652475693 /nfs/dbraw/zinc/47/56/93/652475693.db2.gz YVBYNJHGTUQGNI-CYBMUJFWSA-N 1 1 391.317 2.347 20 0 GEADMO CC(=O)N(c1nn(CN2CC[C@H](c3[nH+]ccn3C)C2)c(=S)s1)C1CC1 ZINC000755788740 652476352 /nfs/dbraw/zinc/47/63/52/652476352.db2.gz HLSNFOIPFJVRTM-LBPRGKRZSA-N 1 1 378.527 2.370 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c(F)ccc(C(F)(F)F)c1Br ZINC000629166048 652480434 /nfs/dbraw/zinc/48/04/34/652480434.db2.gz QIKNCLUJRFRGMJ-MRVPVSSYSA-N 1 1 399.182 2.403 20 0 GEADMO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000756097332 652487673 /nfs/dbraw/zinc/48/76/73/652487673.db2.gz KPCFEEVHNOORQF-DZGCQCFKSA-N 1 1 379.302 2.350 20 0 GEADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000583684408 652494108 /nfs/dbraw/zinc/49/41/08/652494108.db2.gz AURCDBIRVUCZEF-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000583684408 652494112 /nfs/dbraw/zinc/49/41/12/652494112.db2.gz AURCDBIRVUCZEF-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO CN(C(=O)NCCC[NH+]1CCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663403979 652496893 /nfs/dbraw/zinc/49/68/93/652496893.db2.gz SHYYEVFKQBAZEZ-HNNXBMFYSA-N 1 1 390.311 2.391 20 0 GEADMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630046405 652501422 /nfs/dbraw/zinc/50/14/22/652501422.db2.gz VRYAGEHEFHEZKI-GUYCJALGSA-N 1 1 384.314 2.488 20 0 GEADMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630046405 652501429 /nfs/dbraw/zinc/50/14/29/652501429.db2.gz VRYAGEHEFHEZKI-GUYCJALGSA-N 1 1 384.314 2.488 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(c3nc(C4CC4)ncc3Br)CC2)C1 ZINC000663615922 652506776 /nfs/dbraw/zinc/50/67/76/652506776.db2.gz OVCYUHWHKVPOPR-AWEZNQCLSA-N 1 1 380.334 2.333 20 0 GEADMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000584164449 652511936 /nfs/dbraw/zinc/51/19/36/652511936.db2.gz UYWKHRQWAFJNCT-UHFFFAOYSA-N 1 1 396.329 2.236 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000630721684 652513006 /nfs/dbraw/zinc/51/30/06/652513006.db2.gz VWRJYGCBFGFLCA-UHFFFAOYSA-N 1 1 378.523 2.120 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000584409242 652520200 /nfs/dbraw/zinc/52/02/00/652520200.db2.gz BHINCQYWMNFVKO-MRXNPFEDSA-N 1 1 382.233 2.477 20 0 GEADMO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000584664615 652524971 /nfs/dbraw/zinc/52/49/71/652524971.db2.gz KXJFPTVWLOFHSD-GFCCVEGCSA-N 1 1 383.290 2.148 20 0 GEADMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1I ZINC000757926517 652525801 /nfs/dbraw/zinc/52/58/01/652525801.db2.gz MDVNIVKYLGHKGA-AWEZNQCLSA-N 1 1 377.222 2.349 20 0 GEADMO C[C@@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)[C@H]1C[N@H+](C)CCO1 ZINC000664489797 652528868 /nfs/dbraw/zinc/52/88/68/652528868.db2.gz ZFEMEMZPXYCOBE-IAQYHMDHSA-N 1 1 388.295 2.485 20 0 GEADMO C[C@@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000664489797 652528870 /nfs/dbraw/zinc/52/88/70/652528870.db2.gz ZFEMEMZPXYCOBE-IAQYHMDHSA-N 1 1 388.295 2.485 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000584781851 652529446 /nfs/dbraw/zinc/52/94/46/652529446.db2.gz QHDBWHWFQPCBOU-IGCXYCKISA-N 1 1 381.314 2.392 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000584781851 652529448 /nfs/dbraw/zinc/52/94/48/652529448.db2.gz QHDBWHWFQPCBOU-IGCXYCKISA-N 1 1 381.314 2.392 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=S)NC[C@H]2CCCCO2)c2cccs2)CC1 ZINC000758182125 652533342 /nfs/dbraw/zinc/53/33/42/652533342.db2.gz VDBBHGXRTAVCPC-HZPDHXFCSA-N 1 1 382.599 2.070 20 0 GEADMO C[NH+]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000758272237 652535533 /nfs/dbraw/zinc/53/55/33/652535533.db2.gz AZYXJBAFDBQRBY-UHFFFAOYSA-N 1 1 378.068 2.386 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758300484 652536467 /nfs/dbraw/zinc/53/64/67/652536467.db2.gz WXPAGBDOXXMDTD-GFCCVEGCSA-N 1 1 387.265 2.490 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000758339282 652537898 /nfs/dbraw/zinc/53/78/98/652537898.db2.gz WEHMKUFWOLNVHO-BXUZGUMPSA-N 1 1 390.285 2.242 20 0 GEADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758338296 652537912 /nfs/dbraw/zinc/53/79/12/652537912.db2.gz SWILWVMZUPOGAG-YGRLFVJLSA-N 1 1 376.400 2.193 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000758338296 652537916 /nfs/dbraw/zinc/53/79/16/652537916.db2.gz SWILWVMZUPOGAG-YGRLFVJLSA-N 1 1 376.400 2.193 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)NCCCc2nc(-c3ccncc3)cs2)CC1 ZINC000631890455 652538261 /nfs/dbraw/zinc/53/82/61/652538261.db2.gz POTZSQALYZYRBR-UHFFFAOYSA-N 1 1 380.539 2.151 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000632057562 652547424 /nfs/dbraw/zinc/54/74/24/652547424.db2.gz ISMCSTCQKIJRCN-CYBMUJFWSA-N 1 1 381.523 2.354 20 0 GEADMO CC[N@@H+](CCNC(=O)CN1C(=O)COc2cc(Br)ccc21)C(C)C ZINC000588225286 652550846 /nfs/dbraw/zinc/55/08/46/652550846.db2.gz UPBPHLLGQXPWJT-UHFFFAOYSA-N 1 1 398.301 2.021 20 0 GEADMO CCC(=O)N[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665675801 652557450 /nfs/dbraw/zinc/55/74/50/652557450.db2.gz YFXSLCQGXKRUEE-CYBMUJFWSA-N 1 1 396.329 2.444 20 0 GEADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000589179484 652561463 /nfs/dbraw/zinc/56/14/63/652561463.db2.gz ZCKWWJGOYKZOTC-HIFRSBDPSA-N 1 1 387.571 2.056 20 0 GEADMO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC000666275412 652570444 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GEADMO COC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc(Br)c1 ZINC000871924098 654280176 /nfs/dbraw/zinc/28/01/76/654280176.db2.gz CSPIQQNJNKLVQX-IINYFYTJSA-N 1 1 384.274 2.103 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000921559356 654280868 /nfs/dbraw/zinc/28/08/68/654280868.db2.gz YSEXNFGJRBFWTM-WPGHFRTFSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000921559356 654280871 /nfs/dbraw/zinc/28/08/71/654280871.db2.gz YSEXNFGJRBFWTM-WPGHFRTFSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@H+](C)CCO1 ZINC000921559351 654280903 /nfs/dbraw/zinc/28/09/03/654280903.db2.gz YSEXNFGJRBFWTM-DIOULYMOSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000921559351 654280908 /nfs/dbraw/zinc/28/09/08/654280908.db2.gz YSEXNFGJRBFWTM-DIOULYMOSA-N 1 1 398.301 2.291 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)c1cccc(F)c1 ZINC000853234650 654288111 /nfs/dbraw/zinc/28/81/11/654288111.db2.gz ANPRCIIRCWUHKK-SHZVTRLKSA-N 1 1 383.411 2.039 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1Cl ZINC000921596054 654289102 /nfs/dbraw/zinc/28/91/02/654289102.db2.gz WKLHISHWXBWYAJ-UHFFFAOYSA-N 1 1 384.933 2.500 20 0 GEADMO Cc1nn(C)c(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1Cl ZINC000921605680 654291800 /nfs/dbraw/zinc/29/18/00/654291800.db2.gz CQHMOXXIHNAAMY-UHFFFAOYSA-N 1 1 377.297 2.103 20 0 GEADMO CCCN(C(=O)C(=O)Nc1cnc(Br)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000832742109 654292512 /nfs/dbraw/zinc/29/25/12/654292512.db2.gz ATHKQUXFOULIKF-LBPRGKRZSA-N 1 1 383.290 2.034 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398771 654294974 /nfs/dbraw/zinc/29/49/74/654294974.db2.gz OYSCXYOUAYQGRR-HZPDHXFCSA-N 1 1 394.313 2.289 20 0 GEADMO CC(C)N1CC[NH+](C2CCN(c3ncnc(F)c3Br)CC2)CC1 ZINC000853462013 654296839 /nfs/dbraw/zinc/29/68/39/654296839.db2.gz HFCLFWOSTNJDPK-UHFFFAOYSA-N 1 1 386.313 2.373 20 0 GEADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)C1 ZINC000891529040 654299034 /nfs/dbraw/zinc/29/90/34/654299034.db2.gz SIOSWHFBEIOQRX-KYHPRHEASA-N 1 1 386.378 2.282 20 0 GEADMO O[C@@]1(Cn2ccnc2I)CC[N@@H+](Cc2ccccc2)C1 ZINC000871980018 654299293 /nfs/dbraw/zinc/29/92/93/654299293.db2.gz MTXYLCOWPHPDCE-HNNXBMFYSA-N 1 1 383.233 2.125 20 0 GEADMO O[C@@]1(Cn2ccnc2I)CC[N@H+](Cc2ccccc2)C1 ZINC000871980018 654299292 /nfs/dbraw/zinc/29/92/92/654299292.db2.gz MTXYLCOWPHPDCE-HNNXBMFYSA-N 1 1 383.233 2.125 20 0 GEADMO O[C@]1(Cn2ccnc2I)CC[N@H+](Cc2ccccc2)C1 ZINC000871980019 654299367 /nfs/dbraw/zinc/29/93/67/654299367.db2.gz MTXYLCOWPHPDCE-OAHLLOKOSA-N 1 1 383.233 2.125 20 0 GEADMO O[C@]1(Cn2ccnc2I)CC[N@@H+](Cc2ccccc2)C1 ZINC000871980019 654299370 /nfs/dbraw/zinc/29/93/70/654299370.db2.gz MTXYLCOWPHPDCE-OAHLLOKOSA-N 1 1 383.233 2.125 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@@H]2C1 ZINC000832912541 654300870 /nfs/dbraw/zinc/30/08/70/654300870.db2.gz 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/nfs/dbraw/zinc/34/02/66/654340266.db2.gz KPRYPJJOUCOMCL-LLVKDONJSA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000921908603 654340272 /nfs/dbraw/zinc/34/02/72/654340272.db2.gz KPRYPJJOUCOMCL-LLVKDONJSA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc2onc(Cl)c2c1 ZINC000921912209 654340770 /nfs/dbraw/zinc/34/07/70/654340770.db2.gz VWFWWJWIJWUZRC-LBPRGKRZSA-N 1 1 385.873 2.013 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000921913384 654341365 /nfs/dbraw/zinc/34/13/65/654341365.db2.gz YAPGLKZVLGKABP-AWEZNQCLSA-N 1 1 378.416 2.237 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872456412 654341621 /nfs/dbraw/zinc/34/16/21/654341621.db2.gz NFPJUGRWRJIHJO-LBPRGKRZSA-N 1 1 376.320 2.197 20 0 GEADMO COC(=O)c1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(F)c1 ZINC000921916535 654341763 /nfs/dbraw/zinc/34/17/63/654341763.db2.gz RXUREOOUKJIJJF-UHFFFAOYSA-N 1 1 386.470 2.084 20 0 GEADMO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000872458135 654342467 /nfs/dbraw/zinc/34/24/67/654342467.db2.gz GHOWNKZPYFAYAX-LBPRGKRZSA-N 1 1 378.416 2.106 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872459748 654343066 /nfs/dbraw/zinc/34/30/66/654343066.db2.gz WSBRVLWUKQUOQX-GFCCVEGCSA-N 1 1 385.917 2.235 20 0 GEADMO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872460381 654343617 /nfs/dbraw/zinc/34/36/17/654343617.db2.gz DZDXOTUXEKUNGI-JOCHJYFZSA-N 1 1 381.589 2.253 20 0 GEADMO Cn1ncc(Br)c1CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000892391181 654343961 /nfs/dbraw/zinc/34/39/61/654343961.db2.gz ZVRATJTZQGXMLH-HNNXBMFYSA-N 1 1 391.313 2.110 20 0 GEADMO Cn1ncc(Br)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000892391181 654343966 /nfs/dbraw/zinc/34/39/66/654343966.db2.gz ZVRATJTZQGXMLH-HNNXBMFYSA-N 1 1 391.313 2.110 20 0 GEADMO Cn1ncc(Br)c1CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000892391182 654344107 /nfs/dbraw/zinc/34/41/07/654344107.db2.gz ZVRATJTZQGXMLH-OAHLLOKOSA-N 1 1 391.313 2.110 20 0 GEADMO Cn1ncc(Br)c1CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000892391182 654344115 /nfs/dbraw/zinc/34/41/15/654344115.db2.gz ZVRATJTZQGXMLH-OAHLLOKOSA-N 1 1 391.313 2.110 20 0 GEADMO C[C@H]1C[C@H]([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)c2ccsc2S1(=O)=O ZINC000905264963 654346480 /nfs/dbraw/zinc/34/64/80/654346480.db2.gz WXAYTPCBEOTWTE-YVVXQTMVSA-N 1 1 381.519 2.429 20 0 GEADMO O=C(c1cc(Br)n[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000834777158 654347737 /nfs/dbraw/zinc/34/77/37/654347737.db2.gz FTIHPCKTJAOXMQ-OKILXGFUSA-N 1 1 375.270 2.376 20 0 GEADMO Cc1nc(Br)sc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000854306206 654349518 /nfs/dbraw/zinc/34/95/18/654349518.db2.gz DUAGSRIFBXVKJQ-LLVKDONJSA-N 1 1 376.320 2.301 20 0 GEADMO [NH3+]C1(c2noc(CCC(=O)c3ccc(I)cc3)n2)CC1 ZINC000905316727 654349799 /nfs/dbraw/zinc/34/97/99/654349799.db2.gz UQCRLYRRJJWTQD-UHFFFAOYSA-N 1 1 383.189 2.438 20 0 GEADMO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)c1nc(C2([NH3+])CC2)no1 ZINC000905324625 654350295 /nfs/dbraw/zinc/35/02/95/654350295.db2.gz MYIFQLYXXDOCGN-SECBINFHSA-N 1 1 386.271 2.357 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1Cl ZINC000922013681 654354944 /nfs/dbraw/zinc/35/49/44/654354944.db2.gz AEYOFLWIUNSYGE-UHFFFAOYSA-N 1 1 386.880 2.351 20 0 GEADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000905408602 654355513 /nfs/dbraw/zinc/35/55/13/654355513.db2.gz QMGVGROETJRHNS-BGMSHATGSA-N 1 1 376.906 2.122 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nn(C(C)C)cc2Br)C1 ZINC000905394107 654355567 /nfs/dbraw/zinc/35/55/67/654355567.db2.gz ARLCLMKXCMSDSL-ZDUSSCGKSA-N 1 1 387.322 2.313 20 0 GEADMO O=C(NCc1cnc(Br)s1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000854356605 654355768 /nfs/dbraw/zinc/35/57/68/654355768.db2.gz RGFFXZYCSIYJFG-INIZCTEOSA-N 1 1 396.310 2.159 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000835077974 654360969 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CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC000892929385 654370822 /nfs/dbraw/zinc/37/08/22/654370822.db2.gz SPSDLPJLQPAXAQ-AWEZNQCLSA-N 1 1 397.361 2.381 20 0 GEADMO COc1c(Cl)cccc1C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000905645316 654371640 /nfs/dbraw/zinc/37/16/40/654371640.db2.gz WLXMPZHXFLPMMP-UHFFFAOYSA-N 1 1 377.890 2.195 20 0 GEADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642572 654372282 /nfs/dbraw/zinc/37/22/82/654372282.db2.gz MMPWYSBMRACIOA-KBPBESRZSA-N 1 1 399.333 2.336 20 0 GEADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854642575 654372690 /nfs/dbraw/zinc/37/26/90/654372690.db2.gz MMPWYSBMRACIOA-ZIAGYGMSSA-N 1 1 399.333 2.336 20 0 GEADMO C[C@@H]1CN(C(=O)c2csc(I)n2)CC[N@H+](C2CC2)C1 ZINC000854676793 654374628 /nfs/dbraw/zinc/37/46/28/654374628.db2.gz BZSWYFBYNJRMEP-VIFPVBQESA-N 1 1 391.278 2.304 20 0 GEADMO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000854690006 654375451 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GEADMO C[N@H+]1CC[C@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000922261046 654380017 /nfs/dbraw/zinc/38/00/17/654380017.db2.gz SETZYIIQVFXVHF-LBPRGKRZSA-N 1 1 380.246 2.002 20 0 GEADMO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Br)n[nH]1 ZINC000854934692 654389858 /nfs/dbraw/zinc/38/98/58/654389858.db2.gz ZBGDBILTYMPROQ-UHFFFAOYSA-N 1 1 383.246 2.374 20 0 GEADMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)n[nH]1 ZINC000922411026 654390850 /nfs/dbraw/zinc/39/08/50/654390850.db2.gz PHQYNLGDIIUVBD-BXUZGUMPSA-N 1 1 395.257 2.472 20 0 GEADMO COC(=O)c1c2cnn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c2ccc1Br ZINC000872785674 654395351 /nfs/dbraw/zinc/39/53/51/654395351.db2.gz HBDGPNLZYDHSOP-PHIMTYICSA-N 1 1 380.242 2.121 20 0 GEADMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000893299663 654396069 /nfs/dbraw/zinc/39/60/69/654396069.db2.gz CKBYIXHMTVZGHD-BZPMIXESSA-N 1 1 385.555 2.458 20 0 GEADMO CCCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1OCC ZINC000922494168 654397745 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Cn1nccc1[C@@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000922971404 654422358 /nfs/dbraw/zinc/42/23/58/654422358.db2.gz XVEDQQKLFTXXRI-LBPRGKRZSA-N 1 1 390.079 2.163 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cncc(O)c1 ZINC000922975210 654422763 /nfs/dbraw/zinc/42/27/63/654422763.db2.gz BHYDRJMUWMSKCY-LLVKDONJSA-N 1 1 394.269 2.353 20 0 GEADMO CCOC(=O)C1([C@H](C)NCc2ncc(Br)s2)CC[NH2+]CC1 ZINC000873274098 654423671 /nfs/dbraw/zinc/42/36/71/654423671.db2.gz AAVILOUYFBAILH-JTQLQIEISA-N 1 1 376.320 2.317 20 0 GEADMO O=C(CSc1n[nH]c(=S)s1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855527487 654423885 /nfs/dbraw/zinc/42/38/85/654423885.db2.gz IVRYAUANZUVHQK-UHFFFAOYSA-N 1 1 395.579 2.342 20 0 GEADMO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000906265902 654424329 /nfs/dbraw/zinc/42/43/29/654424329.db2.gz BKFYENZSBHVYET-AWEZNQCLSA-N 1 1 395.714 2.256 20 0 GEADMO O=C(CC[NH+]1CCOCC1)Nc1ccc(I)cc1F ZINC000855555769 654424413 /nfs/dbraw/zinc/42/44/13/654424413.db2.gz FGEMVCKIDCSMNU-UHFFFAOYSA-N 1 1 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384.322 2.389 20 0 GEADMO CN(C)[C@@H](C[NH2+]Cc1c(I)cnn1C)Cc1ccccc1 ZINC000894150277 654450128 /nfs/dbraw/zinc/45/01/28/654450128.db2.gz ZBARQRGHBHQRFK-CQSZACIVSA-N 1 1 398.292 2.287 20 0 GEADMO O[C@H](COc1cc(F)cc(Br)c1)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923416127 654451769 /nfs/dbraw/zinc/45/17/69/654451769.db2.gz ZPIFZYFUNKZXFD-PVUWLOKVSA-N 1 1 387.293 2.402 20 0 GEADMO Cn1ncc(I)c1CNCC[N@@H+]1CCc2ccccc2C1 ZINC000894165751 654452405 /nfs/dbraw/zinc/45/24/05/654452405.db2.gz SZUFHPFZXDPQSL-UHFFFAOYSA-N 1 1 396.276 2.173 20 0 GEADMO Cn1ncc(I)c1CNCC[N@H+]1CCc2ccccc2C1 ZINC000894165751 654452410 /nfs/dbraw/zinc/45/24/10/654452410.db2.gz SZUFHPFZXDPQSL-UHFFFAOYSA-N 1 1 396.276 2.173 20 0 GEADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906597556 654452552 /nfs/dbraw/zinc/45/25/52/654452552.db2.gz NKDAHFASFXBLSW-BXUZGUMPSA-N 1 1 391.331 2.425 20 0 GEADMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873718356 654453496 /nfs/dbraw/zinc/45/34/96/654453496.db2.gz 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ZINC000136344048 532283900 /nfs/dbraw/zinc/28/39/00/532283900.db2.gz XQNQEIIIXBRMNA-GFCCVEGCSA-N 1 1 398.301 2.243 20 0 GEADMO C/C(=C/C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000136478936 532284683 /nfs/dbraw/zinc/28/46/83/532284683.db2.gz QFYOFMJCTHIBCZ-VWILAXROSA-N 1 1 384.929 2.321 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccnc1Br ZINC000181373337 532296577 /nfs/dbraw/zinc/29/65/77/532296577.db2.gz TYVRNLHXGYLPAO-GFCCVEGCSA-N 1 1 383.290 2.163 20 0 GEADMO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1cccnc1 ZINC000181374996 532296694 /nfs/dbraw/zinc/29/66/94/532296694.db2.gz CXPBRGYNBYQPQF-LBPRGKRZSA-N 1 1 391.269 2.250 20 0 GEADMO CCOC(=O)CC[N@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC1 ZINC000143923921 532296937 /nfs/dbraw/zinc/29/69/37/532296937.db2.gz JUPSXAZRYAKNGU-UHFFFAOYSA-N 1 1 384.274 2.448 20 0 GEADMO Cc1cc(N2C[C@@H](C(=O)NCC[N@H+](C)C3CC3)CC2=O)ccc1Br ZINC000143814456 532297153 /nfs/dbraw/zinc/29/71/53/532297153.db2.gz RSYUEEHHGRLWDV-ZDUSSCGKSA-N 1 1 394.313 2.321 20 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/nfs/dbraw/zinc/30/11/66/532301166.db2.gz IUWLNIUBOQVCKU-LBPRGKRZSA-N 1 1 377.432 2.434 20 0 GEADMO C[C@H](C[S@@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000181635759 532304090 /nfs/dbraw/zinc/30/40/90/532304090.db2.gz UOENWQTUTFDFHP-BSEWSNTLSA-N 1 1 376.444 2.324 20 0 GEADMO C[C@@H](NC(=O)NCCCc1cccc(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000151053984 532306439 /nfs/dbraw/zinc/30/64/39/532306439.db2.gz SZIWIXZRLZBCEH-CJNGLKHVSA-N 1 1 384.318 2.400 20 0 GEADMO C[C@@H](NC(=O)NCCCc1cccc(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151053984 532306442 /nfs/dbraw/zinc/30/64/42/532306442.db2.gz SZIWIXZRLZBCEH-CJNGLKHVSA-N 1 1 384.318 2.400 20 0 GEADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c1 ZINC000181938371 532308250 /nfs/dbraw/zinc/30/82/50/532308250.db2.gz AINOQBXQRHIPBT-QWHCGFSZSA-N 1 1 381.523 2.184 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1Br ZINC000183451832 532324966 /nfs/dbraw/zinc/32/49/66/532324966.db2.gz LBORLPNRSDNGBO-OAHLLOKOSA-N 1 1 390.281 2.341 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183522136 532325731 /nfs/dbraw/zinc/32/57/31/532325731.db2.gz PRYBEWNDXYZGJC-LLVKDONJSA-N 1 1 375.803 2.480 20 0 GEADMO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183029788 532321145 /nfs/dbraw/zinc/32/11/45/532321145.db2.gz BTXPHNSVJMMZLY-OLZOCXBDSA-N 1 1 386.539 2.466 20 0 GEADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000183119474 532321845 /nfs/dbraw/zinc/32/18/45/532321845.db2.gz LCRHYRAJHXAMDK-HOYKHHGWSA-N 1 1 380.535 2.146 20 0 GEADMO CC(C)[C@H](CNC(=O)N1CCSC[C@H]1c1nccs1)[NH+]1CCOCC1 ZINC000185110546 532336925 /nfs/dbraw/zinc/33/69/25/532336925.db2.gz NVIMDPMJFPOSAH-GJZGRUSLSA-N 1 1 384.571 2.299 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c(F)c1Cl ZINC000185230459 532337353 /nfs/dbraw/zinc/33/73/53/532337353.db2.gz UDHSNLIYTKWQSW-UHFFFAOYSA-N 1 1 395.859 2.291 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185586088 532338088 /nfs/dbraw/zinc/33/80/88/532338088.db2.gz PKIYACIRKSTACP-GFCCVEGCSA-N 1 1 378.947 2.451 20 0 GEADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NCCC(=O)OC ZINC000185925386 532339041 /nfs/dbraw/zinc/33/90/41/532339041.db2.gz YCQITVWPEIXKEU-CQSZACIVSA-N 1 1 385.302 2.381 20 0 GEADMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186397380 532340722 /nfs/dbraw/zinc/34/07/22/532340722.db2.gz ZZQRXZJKFYQKBT-GFCCVEGCSA-N 1 1 382.452 2.234 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000186397400 532340743 /nfs/dbraw/zinc/34/07/43/532340743.db2.gz ZZQRXZJKFYQKBT-LBPRGKRZSA-N 1 1 382.452 2.234 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000186787431 532341915 /nfs/dbraw/zinc/34/19/15/532341915.db2.gz WYVDTWOLHAQIKO-CQSZACIVSA-N 1 1 385.302 2.133 20 0 GEADMO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186838747 532342120 /nfs/dbraw/zinc/34/21/20/532342120.db2.gz FQMVDAWWDREWBK-CYBMUJFWSA-N 1 1 394.313 2.237 20 0 GEADMO Cc1ccc(CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1Br ZINC000186856378 532342199 /nfs/dbraw/zinc/34/21/99/532342199.db2.gz ISRAVRJLLWIOKA-OAHLLOKOSA-N 1 1 382.346 2.442 20 0 GEADMO COc1ccc(Br)c(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000186885655 532342289 /nfs/dbraw/zinc/34/22/89/532342289.db2.gz UXLWEKMDRNNLLB-CYBMUJFWSA-N 1 1 399.329 2.304 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000186907550 532342456 /nfs/dbraw/zinc/34/24/56/532342456.db2.gz VRCHRKVCXQUHSU-GFCCVEGCSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@H](C)C1 ZINC000186943077 532342583 /nfs/dbraw/zinc/34/25/83/532342583.db2.gz HXNBNQXDTPYYIC-VXGBXAGGSA-N 1 1 380.286 2.458 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@H](C)C1 ZINC000186943077 532342584 /nfs/dbraw/zinc/34/25/84/532342584.db2.gz HXNBNQXDTPYYIC-VXGBXAGGSA-N 1 1 380.286 2.458 20 0 GEADMO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000183914460 532329938 /nfs/dbraw/zinc/32/99/38/532329938.db2.gz YALOFOHBFOGQHX-LLVKDONJSA-N 1 1 383.283 2.468 20 0 GEADMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)NCCOc1ccccc1 ZINC000183891851 532330113 /nfs/dbraw/zinc/33/01/13/532330113.db2.gz BJKXFIOFEGGWQY-KRWDZBQOSA-N 1 1 393.281 2.267 20 0 GEADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1nc(C)cs1 ZINC000184372812 532332225 /nfs/dbraw/zinc/33/22/25/532332225.db2.gz URCJVWUVACOUBI-CYBMUJFWSA-N 1 1 382.511 2.087 20 0 GEADMO CC[N@H+](CCO)CCNCc1cn(-c2ccc(Br)cc2)nc1C ZINC000184539150 532333406 /nfs/dbraw/zinc/33/34/06/532333406.db2.gz SBCOEBVTPKSAGL-UHFFFAOYSA-N 1 1 381.318 2.347 20 0 GEADMO CC[N@@H+](CCO)CCNCc1cn(-c2ccc(Br)cc2)nc1C ZINC000184539150 532333407 /nfs/dbraw/zinc/33/34/07/532333407.db2.gz SBCOEBVTPKSAGL-UHFFFAOYSA-N 1 1 381.318 2.347 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000184668707 532334028 /nfs/dbraw/zinc/33/40/28/532334028.db2.gz FMKLKVLGKICASS-LBPRGKRZSA-N 1 1 398.301 2.305 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000184656056 532334078 /nfs/dbraw/zinc/33/40/78/532334078.db2.gz JEMXNQOAMJTDAO-UHFFFAOYSA-N 1 1 398.301 2.259 20 0 GEADMO Cc1ccc(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1Br ZINC000187851605 532345946 /nfs/dbraw/zinc/34/59/46/532345946.db2.gz CJYGSZDDNVWFRC-UHFFFAOYSA-N 1 1 382.346 2.396 20 0 GEADMO COC(=O)CNC(=O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000188200896 532347288 /nfs/dbraw/zinc/34/72/88/532347288.db2.gz VIYNNEFIYZDJAM-UHFFFAOYSA-N 1 1 383.286 2.226 20 0 GEADMO Ic1ccc2ncnc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000188499325 532348532 /nfs/dbraw/zinc/34/85/32/532348532.db2.gz DYBXWVPYVRGKLA-UHFFFAOYSA-N 1 1 398.248 2.369 20 0 GEADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188656419 532349002 /nfs/dbraw/zinc/34/90/02/532349002.db2.gz GYWTXEBLQVXUML-NSHDSACASA-N 1 1 377.436 2.080 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2cccc(Br)c2C)CC1 ZINC000188682966 532349092 /nfs/dbraw/zinc/34/90/92/532349092.db2.gz GHEUBWVCSUQMQH-ZDUSSCGKSA-N 1 1 397.313 2.396 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000188700080 532349260 /nfs/dbraw/zinc/34/92/60/532349260.db2.gz CQNXDNPTSRTMNU-AWEZNQCLSA-N 1 1 385.302 2.051 20 0 GEADMO Cc1ccc(OCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000188700080 532349261 /nfs/dbraw/zinc/34/92/61/532349261.db2.gz CQNXDNPTSRTMNU-AWEZNQCLSA-N 1 1 385.302 2.051 20 0 GEADMO C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1CCO ZINC000188775119 532349639 /nfs/dbraw/zinc/34/96/39/532349639.db2.gz QPRWRBDLDQRRQJ-LLVKDONJSA-N 1 1 391.693 2.006 20 0 GEADMO C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CC[N@H+]1CCO ZINC000188775119 532349640 /nfs/dbraw/zinc/34/96/40/532349640.db2.gz QPRWRBDLDQRRQJ-LLVKDONJSA-N 1 1 391.693 2.006 20 0 GEADMO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000189277425 532351717 /nfs/dbraw/zinc/35/17/17/532351717.db2.gz SOFSCMJCELLQPU-UONOGXRCSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000189417467 532352110 /nfs/dbraw/zinc/35/21/10/532352110.db2.gz JMGSCIJDYQRYRI-CYBMUJFWSA-N 1 1 384.318 2.165 20 0 GEADMO COCCO[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000189674983 532353198 /nfs/dbraw/zinc/35/31/98/532353198.db2.gz XQPXXMVIJXYPSQ-BBRMVZONSA-N 1 1 385.302 2.364 20 0 GEADMO COCCO[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000189674983 532353199 /nfs/dbraw/zinc/35/31/99/532353199.db2.gz XQPXXMVIJXYPSQ-BBRMVZONSA-N 1 1 385.302 2.364 20 0 GEADMO COCCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000189741516 532353383 /nfs/dbraw/zinc/35/33/83/532353383.db2.gz KVEMQAKUQCDPGV-CYBMUJFWSA-N 1 1 391.331 2.206 20 0 GEADMO COCCO[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000189741516 532353384 /nfs/dbraw/zinc/35/33/84/532353384.db2.gz KVEMQAKUQCDPGV-CYBMUJFWSA-N 1 1 391.331 2.206 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000190083762 532354724 /nfs/dbraw/zinc/35/47/24/532354724.db2.gz XZDJNNMACODKDK-JSGCOSHPSA-N 1 1 380.286 2.391 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1Br ZINC000190090912 532354856 /nfs/dbraw/zinc/35/48/56/532354856.db2.gz RBEMEYWDAKDKAC-QWHCGFSZSA-N 1 1 380.286 2.391 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC1CC(O)C1 ZINC000190114240 532354898 /nfs/dbraw/zinc/35/48/98/532354898.db2.gz UJCPZCKRFQWJDM-CDWSIMAYSA-N 1 1 388.249 2.321 20 0 GEADMO C[C@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[N@H+]1CCO ZINC000190247293 532355336 /nfs/dbraw/zinc/35/53/36/532355336.db2.gz ZKDBIUFKSWXFJX-ZDUSSCGKSA-N 1 1 379.302 2.338 20 0 GEADMO C[C@H](C[N@@H+](C)C[C@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000190353742 532355711 /nfs/dbraw/zinc/35/57/11/532355711.db2.gz KFBKZQHFMBPFJG-KGLIPLIRSA-N 1 1 377.312 2.386 20 0 GEADMO C[C@@H](O)C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)CO ZINC000190831497 532358141 /nfs/dbraw/zinc/35/81/41/532358141.db2.gz QOMZFITWDHOSPM-DTWKUNHWSA-N 1 1 376.276 2.124 20 0 GEADMO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C)CO ZINC000190831497 532358142 /nfs/dbraw/zinc/35/81/42/532358142.db2.gz QOMZFITWDHOSPM-DTWKUNHWSA-N 1 1 376.276 2.124 20 0 GEADMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](C)CO ZINC000190859031 532358466 /nfs/dbraw/zinc/35/84/66/532358466.db2.gz VSIHFIIRSIBZLH-VHSXEESVSA-N 1 1 379.682 2.105 20 0 GEADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](C)CO ZINC000190859031 532358467 /nfs/dbraw/zinc/35/84/67/532358467.db2.gz VSIHFIIRSIBZLH-VHSXEESVSA-N 1 1 379.682 2.105 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CCN(Cc3ccc(Br)o3)CC2)CC1 ZINC000191332595 532360512 /nfs/dbraw/zinc/36/05/12/532360512.db2.gz WTJDTMNKLBJGBL-UHFFFAOYSA-N 1 1 384.318 2.418 20 0 GEADMO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)CC[N@H+]1CCO ZINC000187701868 532345134 /nfs/dbraw/zinc/34/51/34/532345134.db2.gz WLPLDRHANYNUMP-CYBMUJFWSA-N 1 1 385.302 2.109 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3F)[C@@H]2C1 ZINC000425205569 532373256 /nfs/dbraw/zinc/37/32/56/532373256.db2.gz BSMLRAKBIXTNHV-GXFFZTMASA-N 1 1 377.279 2.303 20 0 GEADMO 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[NH3+]CC(F)(F)CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000521263441 532511503 /nfs/dbraw/zinc/51/15/03/532511503.db2.gz MKNXNARBARUAJP-UHFFFAOYSA-N 1 1 375.173 2.099 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000469831039 532512037 /nfs/dbraw/zinc/51/20/37/532512037.db2.gz LTRYPXHVGYOAMX-BVIHXZOGSA-N 1 1 380.286 2.362 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000469831039 532512041 /nfs/dbraw/zinc/51/20/41/532512041.db2.gz LTRYPXHVGYOAMX-BVIHXZOGSA-N 1 1 380.286 2.362 20 0 GEADMO CC(C)Oc1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000652427512 532512920 /nfs/dbraw/zinc/51/29/20/532512920.db2.gz ZKBKBCODOLHEHO-ZDUSSCGKSA-N 1 1 385.302 2.375 20 0 GEADMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000652427512 532512922 /nfs/dbraw/zinc/51/29/22/532512922.db2.gz ZKBKBCODOLHEHO-ZDUSSCGKSA-N 1 1 385.302 2.375 20 0 GEADMO CNc1cc(I)ccc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000521366168 532513274 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CCCC[N@@H+](C)CC1CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC000640750966 532697639 /nfs/dbraw/zinc/69/76/39/532697639.db2.gz SPMSFGXRJCTIHE-UHFFFAOYSA-N 1 1 388.559 2.371 20 0 GEADMO O=C(Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1)Nc1cccc(Cl)c1Cl ZINC000640762939 532697885 /nfs/dbraw/zinc/69/78/85/532697885.db2.gz AQKFTORTFPQSDL-LBPRGKRZSA-N 1 1 384.267 2.180 20 0 GEADMO O=C(Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1)Nc1cccc(Cl)c1Cl ZINC000640762939 532697888 /nfs/dbraw/zinc/69/78/88/532697888.db2.gz AQKFTORTFPQSDL-LBPRGKRZSA-N 1 1 384.267 2.180 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439593426 532697882 /nfs/dbraw/zinc/69/78/82/532697882.db2.gz VMTXMONBCSOJMX-CQSZACIVSA-N 1 1 380.286 2.391 20 0 GEADMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000439685758 532698998 /nfs/dbraw/zinc/69/89/98/532698998.db2.gz WKRZHAKHIYOBKV-GJZGRUSLSA-N 1 1 387.571 2.042 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000439605761 532700157 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CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000569129127 532689381 /nfs/dbraw/zinc/68/93/81/532689381.db2.gz IROIULWVHWWOSA-UHFFFAOYSA-N 1 1 392.905 2.145 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000439339913 532690109 /nfs/dbraw/zinc/69/01/09/532690109.db2.gz AIQRYULYKWOKDG-JTQLQIEISA-N 1 1 375.803 2.433 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000439350008 532690229 /nfs/dbraw/zinc/69/02/29/532690229.db2.gz ZVIHKQAMBISFSV-VIFPVBQESA-N 1 1 390.228 2.218 20 0 GEADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(F)c1Br ZINC000299239521 532704317 /nfs/dbraw/zinc/70/43/17/532704317.db2.gz JYLRROWWHFQULU-QMTHXVAHSA-N 1 1 398.276 2.434 20 0 GEADMO CS[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000537276932 532705066 /nfs/dbraw/zinc/70/50/66/532705066.db2.gz BSRUJVYSGNAKOV-FVQBIDKESA-N 1 1 378.460 2.423 20 0 GEADMO CS[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000537276932 532705070 /nfs/dbraw/zinc/70/50/70/532705070.db2.gz BSRUJVYSGNAKOV-FVQBIDKESA-N 1 1 378.460 2.423 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000666923280 532706813 /nfs/dbraw/zinc/70/68/13/532706813.db2.gz HYVBRFIDQXDFQC-NVXWUHKLSA-N 1 1 398.345 2.384 20 0 GEADMO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000666923683 532707057 /nfs/dbraw/zinc/70/70/57/532707057.db2.gz PRMDSWDOCGRNRA-GOEBONIOSA-N 1 1 398.345 2.384 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000266204308 532707081 /nfs/dbraw/zinc/70/70/81/532707081.db2.gz LJWGNGQSZHAIEQ-GFCCVEGCSA-N 1 1 378.416 2.390 20 0 GEADMO COc1cc(Br)c(Cl)cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000572605664 532707429 /nfs/dbraw/zinc/70/74/29/532707429.db2.gz SRJVZUPQZZUDGO-JTQLQIEISA-N 1 1 391.693 2.250 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1sccc1Br ZINC000285788894 532707828 /nfs/dbraw/zinc/70/78/28/532707828.db2.gz GDQAJEVDAADJIW-LLVKDONJSA-N 1 1 388.331 2.117 20 0 GEADMO COCCN(Cc1sccc1Br)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573251474 532709958 /nfs/dbraw/zinc/70/99/58/532709958.db2.gz NXHBWGUCVHVRDG-ZDUSSCGKSA-N 1 1 377.348 2.414 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Br)c2c1OCCC2 ZINC000490461539 532710356 /nfs/dbraw/zinc/71/03/56/532710356.db2.gz RHJAPUVOECDQJP-UHFFFAOYSA-N 1 1 383.286 2.226 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1 ZINC000608047875 532710657 /nfs/dbraw/zinc/71/06/57/532710657.db2.gz FCOLGSIVVBJYPD-HIFRSBDPSA-N 1 1 387.571 2.298 20 0 GEADMO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+](C2CC2)CC1 ZINC000299336173 532711140 /nfs/dbraw/zinc/71/11/40/532711140.db2.gz IZWQHVSMJALCAY-AWEZNQCLSA-N 1 1 392.297 2.109 20 0 GEADMO CNC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1Br ZINC000494172729 532713633 /nfs/dbraw/zinc/71/36/33/532713633.db2.gz YGPOJODEXOSBDN-GHMZBOCLSA-N 1 1 383.290 2.365 20 0 GEADMO C[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC[N@@H+]1CC(C)(C)O ZINC000494291636 532716138 /nfs/dbraw/zinc/71/61/38/532716138.db2.gz YGPHNZVDYGGZCD-LLVKDONJSA-N 1 1 397.317 2.034 20 0 GEADMO C[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC[N@H+]1CC(C)(C)O ZINC000494291636 532716144 /nfs/dbraw/zinc/71/61/44/532716144.db2.gz YGPHNZVDYGGZCD-LLVKDONJSA-N 1 1 397.317 2.034 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645303382 532716305 /nfs/dbraw/zinc/71/63/05/532716305.db2.gz RCFGMJNCFAAHDE-JTQLQIEISA-N 1 1 379.766 2.388 20 0 GEADMO O=C(Cn1c[nH+]c2c1CCCC2)NCC(=O)Nc1ccc(Br)cc1 ZINC000538685748 532716353 /nfs/dbraw/zinc/71/63/53/532716353.db2.gz QZBMQIKLQYIEFQ-UHFFFAOYSA-N 1 1 391.269 2.279 20 0 GEADMO Cc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1Br ZINC000575071309 532716916 /nfs/dbraw/zinc/71/69/16/532716916.db2.gz VCSYANDKZMYKLB-GOEBONIOSA-N 1 1 383.330 2.365 20 0 GEADMO O=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299442455 532717121 /nfs/dbraw/zinc/71/71/21/532717121.db2.gz LHVALFNBUVWSBJ-HNNXBMFYSA-N 1 1 384.567 2.434 20 0 GEADMO O=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000299442455 532717126 /nfs/dbraw/zinc/71/71/26/532717126.db2.gz LHVALFNBUVWSBJ-HNNXBMFYSA-N 1 1 384.567 2.434 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000670495352 532717787 /nfs/dbraw/zinc/71/77/87/532717787.db2.gz FCJOYLDUBMPQBV-RISCZKNCSA-N 1 1 384.307 2.394 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670496649 532717983 /nfs/dbraw/zinc/71/79/83/532717983.db2.gz WFOLVTPDZNJXHJ-ZDUSSCGKSA-N 1 1 386.323 2.452 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000575914114 532721480 /nfs/dbraw/zinc/72/14/80/532721480.db2.gz DMZIGIBJOZZKHT-ZACQAIPSSA-N 1 1 385.961 2.437 20 0 GEADMO CC[N@H+](CCNC(=O)C(=O)N1CCSC(C)(C)CC1)CCC(F)(F)F ZINC000575903006 532721811 /nfs/dbraw/zinc/72/18/11/532721811.db2.gz KBQWDRBXNSYPMX-UHFFFAOYSA-N 1 1 383.480 2.121 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)N1CCSC(C)(C)CC1)CCC(F)(F)F ZINC000575903006 532721815 /nfs/dbraw/zinc/72/18/15/532721815.db2.gz KBQWDRBXNSYPMX-UHFFFAOYSA-N 1 1 383.480 2.121 20 0 GEADMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000497418023 532723267 /nfs/dbraw/zinc/72/32/67/532723267.db2.gz PIMBWYDKQQHSPE-DZGCQCFKSA-N 1 1 395.244 2.447 20 0 GEADMO C[N@H+]1C[C@H](NC(=O)c2cc(I)c[nH]2)[C@H](c2ccccc2)C1 ZINC000497418026 532723503 /nfs/dbraw/zinc/72/35/03/532723503.db2.gz PIMBWYDKQQHSPE-ZFWWWQNUSA-N 1 1 395.244 2.447 20 0 GEADMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(OC)cc1Br ZINC000440855185 532723801 /nfs/dbraw/zinc/72/38/01/532723801.db2.gz FDJOBNSTLULTCC-LLVKDONJSA-N 1 1 377.304 2.220 20 0 GEADMO C[C@H](Oc1ccc(I)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000409519047 532724135 /nfs/dbraw/zinc/72/41/35/532724135.db2.gz FRYFYOWYWUZLQW-NSHDSACASA-N 1 1 388.249 2.269 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(F)c2Br)[C@@H](C)C1 ZINC000497788242 532724282 /nfs/dbraw/zinc/72/42/82/532724282.db2.gz NEJDYEOKRDNFGR-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(F)c2Br)[C@@H](C)C1 ZINC000497788242 532724286 /nfs/dbraw/zinc/72/42/86/532724286.db2.gz NEJDYEOKRDNFGR-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000576170134 532726063 /nfs/dbraw/zinc/72/60/63/532726063.db2.gz AVQQKHLXEQYTEW-ZDUSSCGKSA-N 1 1 387.933 2.372 20 0 GEADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000286077145 532727010 /nfs/dbraw/zinc/72/70/10/532727010.db2.gz SEOPRCQZONOTBS-MRRJBJDNSA-N 1 1 387.293 2.417 20 0 GEADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000286077145 532727016 /nfs/dbraw/zinc/72/70/16/532727016.db2.gz SEOPRCQZONOTBS-MRRJBJDNSA-N 1 1 387.293 2.417 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000499768526 532727400 /nfs/dbraw/zinc/72/74/00/532727400.db2.gz ZQPOSGYQYRCJHZ-ZDUSSCGKSA-N 1 1 384.318 2.484 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1Br ZINC000299584603 532729202 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CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000413314372 532810112 /nfs/dbraw/zinc/81/01/12/532810112.db2.gz MQUCVKYNXVMWMZ-WFASDCNBSA-N 1 1 387.933 2.416 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1)c1ccc(Cl)cc1Cl ZINC000459659808 532797445 /nfs/dbraw/zinc/79/74/45/532797445.db2.gz ZWIYRRKNJUGDMX-NVGCLXPQSA-N 1 1 375.296 2.378 20 0 GEADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(CO)C1)c1ccc(Cl)cc1Cl ZINC000459659808 532797450 /nfs/dbraw/zinc/79/74/50/532797450.db2.gz ZWIYRRKNJUGDMX-NVGCLXPQSA-N 1 1 375.296 2.378 20 0 GEADMO CC1(C)C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000550079826 532798026 /nfs/dbraw/zinc/79/80/26/532798026.db2.gz QQPHUOLUYNONEM-SWLSCSKDSA-N 1 1 385.917 2.436 20 0 GEADMO CC1(C)C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000550079826 532798029 /nfs/dbraw/zinc/79/80/29/532798029.db2.gz QQPHUOLUYNONEM-SWLSCSKDSA-N 1 1 385.917 2.436 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 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375.922 2.067 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=O)NCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000287616761 532802857 /nfs/dbraw/zinc/80/28/57/532802857.db2.gz AOWRGVFOJMJIHC-OAHLLOKOSA-N 1 1 375.922 2.067 20 0 GEADMO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551953102 532803248 /nfs/dbraw/zinc/80/32/48/532803248.db2.gz MQWHXFQOOOJSPA-AWEZNQCLSA-N 1 1 383.286 2.293 20 0 GEADMO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ncc(Br)s1 ZINC000552339885 532803834 /nfs/dbraw/zinc/80/38/34/532803834.db2.gz HHKFYJJCHOOWQQ-UWVGGRQHSA-N 1 1 382.349 2.370 20 0 GEADMO CC(=O)N[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412964854 532804764 /nfs/dbraw/zinc/80/47/64/532804764.db2.gz AYJLXTNKASDKCZ-LBPRGKRZSA-N 1 1 382.302 2.054 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)[C@@H](C)C1 ZINC000554540229 532804847 /nfs/dbraw/zinc/80/48/47/532804847.db2.gz NTPFFKVNMRTIKU-WRFANHODSA-N 1 1 396.329 2.402 20 0 GEADMO CN(C)c1nc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)cc[nH+]1 ZINC000413434087 532812165 /nfs/dbraw/zinc/81/21/65/532812165.db2.gz KVNWICLPIXXSCZ-GFCCVEGCSA-N 1 1 383.265 2.707 20 0 GEADMO C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272375334 532814821 /nfs/dbraw/zinc/81/48/21/532814821.db2.gz HAIBUJNMECZQOX-HIFRSBDPSA-N 1 1 382.917 2.262 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1Br ZINC000272395984 532815417 /nfs/dbraw/zinc/81/54/17/532815417.db2.gz YQOQUPWRGUBBPA-DOMZBBRYSA-N 1 1 380.286 2.249 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3I)[C@H]2C1 ZINC000272500371 532816355 /nfs/dbraw/zinc/81/63/55/532816355.db2.gz NSRLXQHACBQACN-WFASDCNBSA-N 1 1 384.261 2.386 20 0 GEADMO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)n2)s1 ZINC000288182800 532820382 /nfs/dbraw/zinc/82/03/82/532820382.db2.gz SJWXVJNGLWRSQJ-UHFFFAOYSA-N 1 1 376.507 2.497 20 0 GEADMO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2=O)c1 ZINC000414351604 532822005 /nfs/dbraw/zinc/82/20/05/532822005.db2.gz VWNHVVLFDJXNMI-LBPRGKRZSA-N 1 1 380.491 2.055 20 0 GEADMO CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000273498382 532825338 /nfs/dbraw/zinc/82/53/38/532825338.db2.gz LVPSLOBGJUABJY-SJORKVTESA-N 1 1 382.551 2.132 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)[C@H](C)C1 ZINC000288371748 532825588 /nfs/dbraw/zinc/82/55/88/532825588.db2.gz FBLSWAHEWXJUMB-AGIUHOORSA-N 1 1 385.306 2.002 20 0 GEADMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)cn1 ZINC000288371755 532825716 /nfs/dbraw/zinc/82/57/16/532825716.db2.gz FBLSWAHEWXJUMB-FRRDWIJNSA-N 1 1 385.306 2.002 20 0 GEADMO O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1CCOCc1ccc(Cl)cc1Cl ZINC000288406125 532825922 /nfs/dbraw/zinc/82/59/22/532825922.db2.gz QLPANMOYCXLJTH-AWEZNQCLSA-N 1 1 383.235 2.396 20 0 GEADMO COC(C[N@@H+](CCCO)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)OC ZINC000273664902 532830132 /nfs/dbraw/zinc/83/01/32/532830132.db2.gz YIMOVBOZCGXINX-WMLDXEAASA-N 1 1 375.893 2.082 20 0 GEADMO COCC[NH+]1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000288540881 532830296 /nfs/dbraw/zinc/83/02/96/532830296.db2.gz SIPHULBFTWBMJA-UHFFFAOYSA-N 1 1 391.331 2.375 20 0 GEADMO C[NH+]1CCC(CNCc2ncc(C(F)(F)F)s2)(N2CCOCC2)CC1 ZINC000414481492 532830697 /nfs/dbraw/zinc/83/06/97/532830697.db2.gz KSWDMWDRXJGXMD-UHFFFAOYSA-N 1 1 378.464 2.048 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000414468711 532829590 /nfs/dbraw/zinc/82/95/90/532829590.db2.gz DPJAZVMLHVQIKU-UHFFFAOYSA-N 1 1 399.329 2.163 20 0 GEADMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000331014202 532831840 /nfs/dbraw/zinc/83/18/40/532831840.db2.gz KTLRUZJDYVMKBW-UHFFFAOYSA-N 1 1 385.288 2.210 20 0 GEADMO CC(C)(CC[NH2+]Cc1ncc(I)s1)S(C)(=O)=O ZINC000414517066 532832044 /nfs/dbraw/zinc/83/20/44/532832044.db2.gz QHJPSPUYUOJZDZ-UHFFFAOYSA-N 1 1 388.296 2.051 20 0 GEADMO O=C(Nc1ccncc1I)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000273688006 532831155 /nfs/dbraw/zinc/83/11/55/532831155.db2.gz GUZDOWOZPJRBIL-CHWSQXEVSA-N 1 1 386.237 2.435 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)COCc1ccccc1F 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/nfs/dbraw/zinc/94/55/21/598945521.db2.gz IEFZQWXMLCUIEW-UHFFFAOYSA-N 1 1 380.456 2.113 20 0 GEADMO CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H]1CCCO1 ZINC000736534670 598945810 /nfs/dbraw/zinc/94/58/10/598945810.db2.gz NPBCIAAJSRJOHC-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)CC(C)(C)O ZINC000736793367 598947060 /nfs/dbraw/zinc/94/70/60/598947060.db2.gz WWPPIQDLUJSQEQ-UHFFFAOYSA-N 1 1 392.529 2.228 20 0 GEADMO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nc(C)cs1 ZINC000736372563 598960700 /nfs/dbraw/zinc/96/07/00/598960700.db2.gz YQGYHCCIJUDIQD-HUUCEWRRSA-N 1 1 383.481 2.478 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](n2nc(C)cc2C)C1 ZINC000737030940 598986238 /nfs/dbraw/zinc/98/62/38/598986238.db2.gz BZNVNAQKVSWEOM-KRWDZBQOSA-N 1 1 397.483 2.405 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736565517 598991296 /nfs/dbraw/zinc/99/12/96/598991296.db2.gz LFMRSULXJXSUEK-JSGCOSHPSA-N 1 1 391.907 2.263 20 0 GEADMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1(C)C ZINC000736613753 598992340 /nfs/dbraw/zinc/99/23/40/598992340.db2.gz SZFIQDFVQLUZCQ-OLZOCXBDSA-N 1 1 378.502 2.392 20 0 GEADMO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736293860 598993082 /nfs/dbraw/zinc/99/30/82/598993082.db2.gz SAKMXOBVQWYOBM-VXGBXAGGSA-N 1 1 390.513 2.245 20 0 GEADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738024771 599006404 /nfs/dbraw/zinc/00/64/04/599006404.db2.gz YTXQPBOGXCSLNX-AYHJJNSGSA-N 1 1 389.463 2.187 20 0 GEADMO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736154166 599017631 /nfs/dbraw/zinc/01/76/31/599017631.db2.gz TXKZPXAWILDZLH-ZIAGYGMSSA-N 1 1 386.456 2.001 20 0 GEADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736827715 599028184 /nfs/dbraw/zinc/02/81/84/599028184.db2.gz HDKJDTJAWLDQGG-UHFFFAOYSA-N 1 1 391.479 2.246 20 0 GEADMO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)nc3)CC[N@H+]2C)cc1 ZINC000737075040 599028316 /nfs/dbraw/zinc/02/83/16/599028316.db2.gz IRNCZTQYNJISNY-CRAIPNDOSA-N 1 1 394.435 2.120 20 0 GEADMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736103003 599029039 /nfs/dbraw/zinc/02/90/39/599029039.db2.gz UWAVPZWROIWMNB-RDTXWAMCSA-N 1 1 377.452 2.104 20 0 GEADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736103003 599029040 /nfs/dbraw/zinc/02/90/40/599029040.db2.gz UWAVPZWROIWMNB-RDTXWAMCSA-N 1 1 377.452 2.104 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736854585 599034628 /nfs/dbraw/zinc/03/46/28/599034628.db2.gz DQMCTRMYQDDXCP-INIZCTEOSA-N 1 1 386.500 2.216 20 0 GEADMO CCn1ccnc1C[N@@H+]1CCCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736722921 599053499 /nfs/dbraw/zinc/05/34/99/599053499.db2.gz PYHYHLNVNDOHRA-UHFFFAOYSA-N 1 1 386.891 2.449 20 0 GEADMO CCn1ccnc1C[N@H+]1CCCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736722921 599053502 /nfs/dbraw/zinc/05/35/02/599053502.db2.gz PYHYHLNVNDOHRA-UHFFFAOYSA-N 1 1 386.891 2.449 20 0 GEADMO CCn1c(C)cc2c1CCC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736719927 599072100 /nfs/dbraw/zinc/07/21/00/599072100.db2.gz FSVMFRDTZRUDNF-FUHWJXTLSA-N 1 1 379.468 2.190 20 0 GEADMO Cc1nc(C2CC[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)sc1C ZINC000737475126 599073086 /nfs/dbraw/zinc/07/30/86/599073086.db2.gz YGWYUIFWVIVFIW-INIZCTEOSA-N 1 1 397.508 2.346 20 0 GEADMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736232348 599079341 /nfs/dbraw/zinc/07/93/41/599079341.db2.gz CQLLDBSRMIZSSC-BEFAXECRSA-N 1 1 376.464 2.361 20 0 GEADMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736232350 599079464 /nfs/dbraw/zinc/07/94/64/599079464.db2.gz CQLLDBSRMIZSSC-DNVCBOLYSA-N 1 1 376.464 2.361 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000737546123 599082043 /nfs/dbraw/zinc/08/20/43/599082043.db2.gz CTMFQYFJHXTBDR-OCCSQVGLSA-N 1 1 383.456 2.114 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@@H]1c1cccs1 ZINC000736858569 599085604 /nfs/dbraw/zinc/08/56/04/599085604.db2.gz TUXGZUBKUWZMPY-BLLLJJGKSA-N 1 1 383.481 2.136 20 0 GEADMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000735518048 599097303 /nfs/dbraw/zinc/09/73/03/599097303.db2.gz DLQVDGHVAWFIOC-OAHLLOKOSA-N 1 1 380.452 2.298 20 0 GEADMO CC(C)(C)c1ccccc1OCC[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735652634 599097779 /nfs/dbraw/zinc/09/77/79/599097779.db2.gz OSVNMWNCVBXBOX-SFHVURJKSA-N 1 1 394.479 2.359 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000819866569 599103454 /nfs/dbraw/zinc/10/34/54/599103454.db2.gz OBGDXKWHOJKQOP-JSGCOSHPSA-N 1 1 389.891 2.017 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCOc1ccccc1F ZINC000735562695 599105866 /nfs/dbraw/zinc/10/58/66/599105866.db2.gz QFFGGALKXXOQPI-CYBMUJFWSA-N 1 1 384.415 2.344 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)CCOc1ccccc1F ZINC000735562695 599105869 /nfs/dbraw/zinc/10/58/69/599105869.db2.gz QFFGGALKXXOQPI-CYBMUJFWSA-N 1 1 384.415 2.344 20 0 GEADMO CC(C)(CCO)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000819980704 599106298 /nfs/dbraw/zinc/10/62/98/599106298.db2.gz HLULIHCVNKQQLQ-UHFFFAOYSA-N 1 1 378.383 2.259 20 0 GEADMO CCCCC[N@@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)C ZINC000736452981 599169018 /nfs/dbraw/zinc/16/90/18/599169018.db2.gz ZYTZLTJVCCIXKZ-UHFFFAOYSA-N 1 1 399.499 2.489 20 0 GEADMO O=C(C[N@H+](CCc1ccc(F)cc1)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737863597 599217803 /nfs/dbraw/zinc/21/78/03/599217803.db2.gz GCISDVCWWVCQEB-UHFFFAOYSA-N 1 1 394.454 2.329 20 0 GEADMO CCC[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736481221 599233293 /nfs/dbraw/zinc/23/32/93/599233293.db2.gz XNDDUVQPTPIHHC-UHFFFAOYSA-N 1 1 389.463 2.489 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000737546066 599227787 /nfs/dbraw/zinc/22/77/87/599227787.db2.gz CBZFFVXQWACPAK-DZGCQCFKSA-N 1 1 395.467 2.258 20 0 GEADMO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881206 597080379 /nfs/dbraw/zinc/08/03/79/597080379.db2.gz DKHUEENXHFXVOO-HKUYNNGSSA-N 1 1 387.524 2.342 20 0 GEADMO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881208 597080568 /nfs/dbraw/zinc/08/05/68/597080568.db2.gz DKHUEENXHFXVOO-MJGOQNOKSA-N 1 1 387.524 2.342 20 0 GEADMO O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000676232675 597087468 /nfs/dbraw/zinc/08/74/68/597087468.db2.gz GVPXIABRWFTJTE-KRWDZBQOSA-N 1 1 391.537 2.361 20 0 GEADMO C[C@@H]1CCC[C@@H](C)[N@@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736249334 599250571 /nfs/dbraw/zinc/25/05/71/599250571.db2.gz KLGNOGKUOBTHPN-HUUCEWRRSA-N 1 1 397.483 2.099 20 0 GEADMO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000737247979 599264244 /nfs/dbraw/zinc/26/42/44/599264244.db2.gz CJJSYNXSFCVGQK-IYBDPMFKSA-N 1 1 395.511 2.365 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000820656572 599290981 /nfs/dbraw/zinc/29/09/81/599290981.db2.gz GNTSRHBCJFTBGR-ONGXEEELSA-N 1 1 383.378 2.490 20 0 GEADMO CC(C)CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735811342 598232416 /nfs/dbraw/zinc/23/24/16/598232416.db2.gz HSDKIZKYMVAERO-FQEVSTJZSA-N 1 1 397.483 2.102 20 0 GEADMO CC(C)CC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735811342 598232418 /nfs/dbraw/zinc/23/24/18/598232418.db2.gz HSDKIZKYMVAERO-FQEVSTJZSA-N 1 1 397.483 2.102 20 0 GEADMO CC(C)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735794961 598233882 /nfs/dbraw/zinc/23/38/82/598233882.db2.gz JGEHWVHHJBJPLB-OXQOHEQNSA-N 1 1 397.483 2.102 20 0 GEADMO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424844 598255109 /nfs/dbraw/zinc/25/51/09/598255109.db2.gz XYZYNDLIFTZGLY-SFHVURJKSA-N 1 1 376.464 2.281 20 0 GEADMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738165733 598301260 /nfs/dbraw/zinc/30/12/60/598301260.db2.gz NNRIORZHTTXLEE-KRWDZBQOSA-N 1 1 381.415 2.402 20 0 GEADMO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738408700 598321303 /nfs/dbraw/zinc/32/13/03/598321303.db2.gz ODDPJJBZCDTYQJ-RYUDHWBXSA-N 1 1 377.905 2.433 20 0 GEADMO CC(C)C[C@@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735794720 598334037 /nfs/dbraw/zinc/33/40/37/598334037.db2.gz CEZPCZJBNKYLOX-KRWDZBQOSA-N 1 1 397.483 2.099 20 0 GEADMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)C1 ZINC000737502566 598348222 /nfs/dbraw/zinc/34/82/22/598348222.db2.gz OYQNQVVHJUNKTG-ZFWWWQNUSA-N 1 1 381.440 2.003 20 0 GEADMO Cc1nc(CN2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)oc1C ZINC000737478514 598349497 /nfs/dbraw/zinc/34/94/97/598349497.db2.gz SZODWFQUDVWWSA-UHFFFAOYSA-N 1 1 385.447 2.319 20 0 GEADMO Cc1nc(CN2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)oc1C ZINC000737478514 598349498 /nfs/dbraw/zinc/34/94/98/598349498.db2.gz SZODWFQUDVWWSA-UHFFFAOYSA-N 1 1 385.447 2.319 20 0 GEADMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444684 598355940 /nfs/dbraw/zinc/35/59/40/598355940.db2.gz OJUBZGZLKWCLKU-PBHICJAKSA-N 1 1 380.456 2.036 20 0 GEADMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000737444684 598355942 /nfs/dbraw/zinc/35/59/42/598355942.db2.gz OJUBZGZLKWCLKU-PBHICJAKSA-N 1 1 380.456 2.036 20 0 GEADMO c1ccc2oc(N3CC[NH+](CCOc4ccc(-c5nn[nH]n5)cc4)CC3)nc2c1 ZINC000738443496 598365559 /nfs/dbraw/zinc/36/55/59/598365559.db2.gz WVRUMPGIVQZJLT-UHFFFAOYSA-N 1 1 391.435 2.209 20 0 GEADMO CCOCC[N@H+]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623676 598366250 /nfs/dbraw/zinc/36/62/50/598366250.db2.gz LDZSROVBTJXJRB-KRWDZBQOSA-N 1 1 383.500 2.052 20 0 GEADMO CCOCCN1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623676 598366251 /nfs/dbraw/zinc/36/62/51/598366251.db2.gz LDZSROVBTJXJRB-KRWDZBQOSA-N 1 1 383.500 2.052 20 0 GEADMO CCOCCN1CC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623676 598366256 /nfs/dbraw/zinc/36/62/56/598366256.db2.gz LDZSROVBTJXJRB-KRWDZBQOSA-N 1 1 383.500 2.052 20 0 GEADMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473779 598367980 /nfs/dbraw/zinc/36/79/80/598367980.db2.gz GRFHKRFXLDHVKY-QGZVFWFLSA-N 1 1 396.499 2.256 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)[C@H]1CCOC1 ZINC000736793531 598406578 /nfs/dbraw/zinc/40/65/78/598406578.db2.gz YRRVQMQBNSQUIS-LBPRGKRZSA-N 1 1 390.513 2.246 20 0 GEADMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H](C)O ZINC000736148050 598415617 /nfs/dbraw/zinc/41/56/17/598415617.db2.gz PADPBOZAQICGDO-GFCCVEGCSA-N 1 1 392.529 2.227 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736321578 598424271 /nfs/dbraw/zinc/42/42/71/598424271.db2.gz CQCDTPKCJYFDOF-AWEZNQCLSA-N 1 1 398.467 2.499 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044159 598450130 /nfs/dbraw/zinc/45/01/30/598450130.db2.gz HONASUJKDKDWDC-KRWDZBQOSA-N 1 1 377.452 2.046 20 0 GEADMO CN(CC[N@@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000736798660 598469874 /nfs/dbraw/zinc/46/98/74/598469874.db2.gz FEEBSNUFENIKGW-IBGZPJMESA-N 1 1 391.479 2.040 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738037499 598478963 /nfs/dbraw/zinc/47/89/63/598478963.db2.gz WHXZXNDHYWTCII-FUHWJXTLSA-N 1 1 381.484 2.168 20 0 GEADMO C[C@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C1CC1 ZINC000736025698 598502454 /nfs/dbraw/zinc/50/24/54/598502454.db2.gz MLFHHQPOGIPSOV-CYBMUJFWSA-N 1 1 396.451 2.251 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000737549179 598520950 /nfs/dbraw/zinc/52/09/50/598520950.db2.gz UITZEONZDUPQDB-UHFFFAOYSA-N 1 1 383.456 2.115 20 0 GEADMO CN1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)Cc2ccccc21 ZINC000736863467 598526128 /nfs/dbraw/zinc/52/61/28/598526128.db2.gz KTXMDSKXBIUPAK-UHFFFAOYSA-N 1 1 397.870 2.411 20 0 GEADMO CN1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)Cc2ccccc21 ZINC000736863467 598526130 /nfs/dbraw/zinc/52/61/30/598526130.db2.gz KTXMDSKXBIUPAK-UHFFFAOYSA-N 1 1 397.870 2.411 20 0 GEADMO CN1CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000736865244 598526380 /nfs/dbraw/zinc/52/63/80/598526380.db2.gz XMZKEKJXCRGOKJ-UHFFFAOYSA-N 1 1 377.452 2.147 20 0 GEADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736457071 598540462 /nfs/dbraw/zinc/54/04/62/598540462.db2.gz LIYOOEDQOISWDQ-MRXNPFEDSA-N 1 1 389.479 2.460 20 0 GEADMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000736961045 598554868 /nfs/dbraw/zinc/55/48/68/598554868.db2.gz JXMCPRRQQCEDEW-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736266925 598561594 /nfs/dbraw/zinc/56/15/94/598561594.db2.gz LDLIEMBPYHPLGN-LLVKDONJSA-N 1 1 395.414 2.464 20 0 GEADMO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735619655 598595835 /nfs/dbraw/zinc/59/58/35/598595835.db2.gz VRXTWZDKKQNKPM-SFHVURJKSA-N 1 1 397.527 2.168 20 0 GEADMO C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736797396 598621543 /nfs/dbraw/zinc/62/15/43/598621543.db2.gz HOLMKEIYSQTNBH-LJQANCHMSA-N 1 1 392.463 2.373 20 0 GEADMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738267549 598681400 /nfs/dbraw/zinc/68/14/00/598681400.db2.gz MYVOTUNYUDEGPM-UHFFFAOYSA-N 1 1 398.417 2.493 20 0 GEADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738267549 598681401 /nfs/dbraw/zinc/68/14/01/598681401.db2.gz MYVOTUNYUDEGPM-UHFFFAOYSA-N 1 1 398.417 2.493 20 0 GEADMO CC(C)C[N@H+](CC(=O)N(C)c1nccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827603 598701435 /nfs/dbraw/zinc/70/14/35/598701435.db2.gz RCGOIUARTULPNY-UHFFFAOYSA-N 1 1 385.497 2.444 20 0 GEADMO CC(C)C[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827603 598701436 /nfs/dbraw/zinc/70/14/36/598701436.db2.gz RCGOIUARTULPNY-UHFFFAOYSA-N 1 1 385.497 2.444 20 0 GEADMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736203924 598704541 /nfs/dbraw/zinc/70/45/41/598704541.db2.gz OJVBVVRKCDUIHY-MRXNPFEDSA-N 1 1 394.479 2.397 20 0 GEADMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736203924 598704542 /nfs/dbraw/zinc/70/45/42/598704542.db2.gz OJVBVVRKCDUIHY-MRXNPFEDSA-N 1 1 394.479 2.397 20 0 GEADMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)O1 ZINC000736407403 598706538 /nfs/dbraw/zinc/70/65/38/598706538.db2.gz GSTAVSQAWJLCIY-AAEUAGOBSA-N 1 1 378.864 2.348 20 0 GEADMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408922 598706560 /nfs/dbraw/zinc/70/65/60/598706560.db2.gz LBOQAFSRBAEZLH-NWDGAFQWSA-N 1 1 390.513 2.245 20 0 GEADMO CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)O1 ZINC000736408924 598706959 /nfs/dbraw/zinc/70/69/59/598706959.db2.gz LBOQAFSRBAEZLH-RYUDHWBXSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000737194624 598707787 /nfs/dbraw/zinc/70/77/87/598707787.db2.gz PPYMHSUBTKJUMQ-QGZVFWFLSA-N 1 1 378.480 2.452 20 0 GEADMO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000736016815 598716573 /nfs/dbraw/zinc/71/65/73/598716573.db2.gz DMWVNMKXNFNXQJ-AWEZNQCLSA-N 1 1 397.458 2.326 20 0 GEADMO COCC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc2c(c1)OCO2 ZINC000736994414 598727550 /nfs/dbraw/zinc/72/75/50/598727550.db2.gz HMOYOYCFRFTMST-UHFFFAOYSA-N 1 1 397.435 2.123 20 0 GEADMO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCCC1 ZINC000737875702 598766963 /nfs/dbraw/zinc/76/69/63/598766963.db2.gz MEBXBQXIOGGVOV-UHFFFAOYSA-N 1 1 384.484 2.159 20 0 GEADMO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccc1 ZINC000735975965 598813600 /nfs/dbraw/zinc/81/36/00/598813600.db2.gz RJMMVCBIMPCWSH-KRWDZBQOSA-N 1 1 393.495 2.354 20 0 GEADMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737863853 598819341 /nfs/dbraw/zinc/81/93/41/598819341.db2.gz ISGKBHGHYNMXMZ-UHFFFAOYSA-N 1 1 384.465 2.485 20 0 GEADMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737863853 598819343 /nfs/dbraw/zinc/81/93/43/598819343.db2.gz ISGKBHGHYNMXMZ-UHFFFAOYSA-N 1 1 384.465 2.485 20 0 GEADMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000736199250 599310180 /nfs/dbraw/zinc/31/01/80/599310180.db2.gz WUELWQNTWWNDMT-INIZCTEOSA-N 1 1 376.464 2.315 20 0 GEADMO c1ccc2c(c1)nc(NC[C@@]1([NH+]3CCOCC3)CCSC1)cc2-c1nn[nH]n1 ZINC000738432949 599417998 /nfs/dbraw/zinc/41/79/98/599417998.db2.gz KVOBJUXRXDYSPY-IBGZPJMESA-N 1 1 397.508 2.035 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820711244 599422531 /nfs/dbraw/zinc/42/25/31/599422531.db2.gz VQDHOQRSUVXEBX-ZDUSSCGKSA-N 1 1 389.479 2.316 20 0 GEADMO O=C(CC[NH2+]Cc1ccc(-c2nn[nH]n2)o1)Nc1ccc(Br)cc1 ZINC000822968997 599422953 /nfs/dbraw/zinc/42/29/53/599422953.db2.gz GDEDPPXBCWABRW-UHFFFAOYSA-N 1 1 391.229 2.341 20 0 GEADMO Clc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)N2CCOCC2)c1 ZINC000822586258 599432160 /nfs/dbraw/zinc/43/21/60/599432160.db2.gz VRZWEFWRVMZRPR-INIZCTEOSA-N 1 1 388.859 2.276 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736860351 599434185 /nfs/dbraw/zinc/43/41/85/599434185.db2.gz NOYUGAPAWAOABT-HNNXBMFYSA-N 1 1 375.908 2.126 20 0 GEADMO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000820269690 599438140 /nfs/dbraw/zinc/43/81/40/599438140.db2.gz NXYJBHBRBCIWML-CQSZACIVSA-N 1 1 397.458 2.326 20 0 GEADMO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000738425213 599483166 /nfs/dbraw/zinc/48/31/66/599483166.db2.gz MAYHFXCABXLTKF-IBGZPJMESA-N 1 1 388.479 2.441 20 0 GEADMO Cc1cccc2c(N[C@@H]3CCCN(c4ncccn4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336922 599483745 /nfs/dbraw/zinc/48/37/45/599483745.db2.gz UGWFMSALYUHUQG-CQSZACIVSA-N 1 1 387.451 2.016 20 0 GEADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201160 599487970 /nfs/dbraw/zinc/48/79/70/599487970.db2.gz HCGWJEDTTDVDEH-MAUKXSAKSA-N 1 1 388.479 2.440 20 0 GEADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736201160 599487972 /nfs/dbraw/zinc/48/79/72/599487972.db2.gz HCGWJEDTTDVDEH-MAUKXSAKSA-N 1 1 388.479 2.440 20 0 GEADMO Cc1cccc2c(N[C@H]3CC(=O)N(c4ccccc4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336489 599498628 /nfs/dbraw/zinc/49/86/28/599498628.db2.gz QTLAXIWHWMQROJ-AWEZNQCLSA-N 1 1 385.431 2.363 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC(=O)NC3CCCCC3)c2c1 ZINC000822195262 599503625 /nfs/dbraw/zinc/50/36/25/599503625.db2.gz MHANRFZQRYJRCD-UHFFFAOYSA-N 1 1 379.468 2.314 20 0 GEADMO Cc1cccc2c(NCCN(C)C(=O)OC(C)(C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335365 599518736 /nfs/dbraw/zinc/51/87/36/599518736.db2.gz KHAZNTOJOKFEMA-UHFFFAOYSA-N 1 1 383.456 2.424 20 0 GEADMO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@H+]1CCOC ZINC000820994692 599533660 /nfs/dbraw/zinc/53/36/60/599533660.db2.gz KGSCNXQGGAVBDF-OAHLLOKOSA-N 1 1 381.484 2.270 20 0 GEADMO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000820741425 599542823 /nfs/dbraw/zinc/54/28/23/599542823.db2.gz CZAZPTXENYGKIX-KRXQYRFLSA-N 1 1 386.500 2.178 20 0 GEADMO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000820741425 599542825 /nfs/dbraw/zinc/54/28/25/599542825.db2.gz CZAZPTXENYGKIX-KRXQYRFLSA-N 1 1 386.500 2.178 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCN(C)CC(F)(F)F)c2c1 ZINC000822195075 599552958 /nfs/dbraw/zinc/55/29/58/599552958.db2.gz GHWVJDKWHPYHNY-UHFFFAOYSA-N 1 1 379.390 2.360 20 0 GEADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000736232595 599554626 /nfs/dbraw/zinc/55/46/26/599554626.db2.gz ZPDPPURAIXISSU-QAPCUYQASA-N 1 1 391.479 2.387 20 0 GEADMO CCOC(=O)CC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821325745 599561625 /nfs/dbraw/zinc/56/16/25/599561625.db2.gz LGQGMEDNTPTFNU-UHFFFAOYSA-N 1 1 397.439 2.082 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820111579 599571533 /nfs/dbraw/zinc/57/15/33/599571533.db2.gz AKISGKWDJPYNNK-UHFFFAOYSA-N 1 1 396.499 2.469 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820112456 599571541 /nfs/dbraw/zinc/57/15/41/599571541.db2.gz UPWXWSKDUZGYFL-UHFFFAOYSA-N 1 1 396.499 2.469 20 0 GEADMO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000738425038 599587976 /nfs/dbraw/zinc/58/79/76/599587976.db2.gz JVYQPODBSIEEPT-HNNXBMFYSA-N 1 1 390.451 2.168 20 0 GEADMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335127 599590114 /nfs/dbraw/zinc/59/01/14/599590114.db2.gz QHCDPJXKQSXVPD-LPHOPBHVSA-N 1 1 381.480 2.478 20 0 GEADMO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736304358 599591756 /nfs/dbraw/zinc/59/17/56/599591756.db2.gz UZXJEZRQBDHHOW-BBRMVZONSA-N 1 1 383.427 2.365 20 0 GEADMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736304358 599591759 /nfs/dbraw/zinc/59/17/59/599591759.db2.gz UZXJEZRQBDHHOW-BBRMVZONSA-N 1 1 383.427 2.365 20 0 GEADMO CC[N@@H+](CCc1ccccn1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821213478 599636617 /nfs/dbraw/zinc/63/66/17/599636617.db2.gz DCVLVRKHYSAHCL-UHFFFAOYSA-N 1 1 376.424 2.376 20 0 GEADMO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964614 599637873 /nfs/dbraw/zinc/63/78/73/599637873.db2.gz LTYZXKPVLQVWNI-GOSISDBHSA-N 1 1 383.500 2.146 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H]1CN1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 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BFBOAGMNZKRVBR-ZIAGYGMSSA-N 1 1 380.456 2.111 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[NH+]1[C@H](C)CC[C@H]1C ZINC000820684394 599663085 /nfs/dbraw/zinc/66/30/85/599663085.db2.gz PBJZRYTXNDLVNV-JHJVBQTASA-N 1 1 397.439 2.221 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821599182 599674800 /nfs/dbraw/zinc/67/48/00/599674800.db2.gz IUJGJBVPFARFBJ-OAHLLOKOSA-N 1 1 375.452 2.022 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821609764 599683819 /nfs/dbraw/zinc/68/38/19/599683819.db2.gz KYGBDXANXBEIAC-AWEZNQCLSA-N 1 1 376.436 2.447 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821609764 599683820 /nfs/dbraw/zinc/68/38/20/599683820.db2.gz KYGBDXANXBEIAC-AWEZNQCLSA-N 1 1 376.436 2.447 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCCCO1 ZINC000819877461 599690270 /nfs/dbraw/zinc/69/02/70/599690270.db2.gz WGGUNIVUHLSJNL-NWDGAFQWSA-N 1 1 390.513 2.245 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)C[C@H]1CCCCO1 ZINC000819877461 599690271 /nfs/dbraw/zinc/69/02/71/599690271.db2.gz WGGUNIVUHLSJNL-NWDGAFQWSA-N 1 1 390.513 2.245 20 0 GEADMO CC[N@H+](CCOC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000821214013 599690777 /nfs/dbraw/zinc/69/07/77/599690777.db2.gz GPAGQCUIXWYGGH-UHFFFAOYSA-N 1 1 397.483 2.181 20 0 GEADMO CC[N@@H+](CCOC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000821214013 599690778 /nfs/dbraw/zinc/69/07/78/599690778.db2.gz GPAGQCUIXWYGGH-UHFFFAOYSA-N 1 1 397.483 2.181 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684428 599699942 /nfs/dbraw/zinc/69/99/42/599699942.db2.gz PNXAMNZICYDYOK-GASCZTMLSA-N 1 1 384.484 2.109 20 0 GEADMO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000738520878 599962936 /nfs/dbraw/zinc/96/29/36/599962936.db2.gz WVESTPLEGVIYEO-HZPDHXFCSA-N 1 1 391.512 2.045 20 0 GEADMO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000738520874 599963244 /nfs/dbraw/zinc/96/32/44/599963244.db2.gz WVESTPLEGVIYEO-HOTGVXAUSA-N 1 1 391.512 2.045 20 0 GEADMO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000738520881 599963305 /nfs/dbraw/zinc/96/33/05/599963305.db2.gz WVESTPLEGVIYEO-JKSUJKDBSA-N 1 1 391.512 2.045 20 0 GEADMO C[C@@H](C(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000824040557 607425098 /nfs/dbraw/zinc/42/50/98/607425098.db2.gz RJZITGROHVHLKJ-HNNXBMFYSA-N 1 1 388.475 2.419 20 0 GEADMO C[C@@H](C(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000824040557 607425099 /nfs/dbraw/zinc/42/50/99/607425099.db2.gz RJZITGROHVHLKJ-HNNXBMFYSA-N 1 1 388.475 2.419 20 0 GEADMO Cc1oc(NC(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822548335 607450146 /nfs/dbraw/zinc/45/01/46/607450146.db2.gz IPPRQKAGWACBTC-NSHDSACASA-N 1 1 376.461 2.031 20 0 GEADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824771179 607470446 /nfs/dbraw/zinc/47/04/46/607470446.db2.gz QFSCAKSRXGIYOC-INIZCTEOSA-N 1 1 392.463 2.151 20 0 GEADMO CC(C)[NH+]1CCC(N2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824297402 607472627 /nfs/dbraw/zinc/47/26/27/607472627.db2.gz VTTKQIVYCITTDB-QGZVFWFLSA-N 1 1 383.544 2.418 20 0 GEADMO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792497 607472976 /nfs/dbraw/zinc/47/29/76/607472976.db2.gz VQRJUKIFXPUZNS-DYVFJYSZSA-N 1 1 376.468 2.263 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[C@@H](CO)C(C)(C)C ZINC000825914358 607473129 /nfs/dbraw/zinc/47/31/29/607473129.db2.gz AXJNKFKYPJFGOH-ZDUSSCGKSA-N 1 1 392.529 2.084 20 0 GEADMO C[NH+]1CCN(Cc2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821627040 607475209 /nfs/dbraw/zinc/47/52/09/607475209.db2.gz KJIVKTZJCXERFJ-UHFFFAOYSA-N 1 1 381.459 2.365 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000824046774 607476727 /nfs/dbraw/zinc/47/67/27/607476727.db2.gz UZMIDWFJWOIMPX-SPYBWZPUSA-N 1 1 395.511 2.142 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C(=O)[O-])c3ccccc3F)CC2)CC1 ZINC000829770238 601006324 /nfs/dbraw/zinc/00/63/24/601006324.db2.gz GJUGBYAXNDTHQN-HXUWFJFHSA-N 1 1 391.487 2.218 20 0 GEADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825232912 607490411 /nfs/dbraw/zinc/49/04/11/607490411.db2.gz LHVULOUKMXHKNF-GOEBONIOSA-N 1 1 386.500 2.392 20 0 GEADMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826158663 607499802 /nfs/dbraw/zinc/49/98/02/607499802.db2.gz YEMWRYRCTYQNRP-UHFFFAOYSA-N 1 1 386.431 2.318 20 0 GEADMO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000820518921 607501385 /nfs/dbraw/zinc/50/13/85/607501385.db2.gz NMXKVCQBMSVGMP-ZSZQSSIHSA-N 1 1 396.495 2.109 20 0 GEADMO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822977934 607501985 /nfs/dbraw/zinc/50/19/85/607501985.db2.gz CMRCQAJIYXDXAH-PKOBYXMFSA-N 1 1 380.496 2.275 20 0 GEADMO COc1cccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)c1 ZINC000821871819 607507671 /nfs/dbraw/zinc/50/76/71/607507671.db2.gz FJUIQYCRNPDJPA-UHFFFAOYSA-N 1 1 380.452 2.206 20 0 GEADMO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826468998 607511136 /nfs/dbraw/zinc/51/11/36/607511136.db2.gz QEWWITGGQRZSJD-BDJLRTHQSA-N 1 1 388.422 2.234 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261217 607509211 /nfs/dbraw/zinc/50/92/11/607509211.db2.gz FNOVQDPFZWHWTH-HNNXBMFYSA-N 1 1 388.541 2.443 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(CC(=O)[O-])CCCCC2)CC1 ZINC000832979444 601553934 /nfs/dbraw/zinc/55/39/34/601553934.db2.gz MNHIFEZIXOATGW-UHFFFAOYSA-N 1 1 387.524 2.406 20 0 GEADMO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192650 607519157 /nfs/dbraw/zinc/51/91/57/607519157.db2.gz VQGCRFYMBPCKMB-QGZVFWFLSA-N 1 1 378.436 2.113 20 0 GEADMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192650 607519158 /nfs/dbraw/zinc/51/91/58/607519158.db2.gz VQGCRFYMBPCKMB-QGZVFWFLSA-N 1 1 378.436 2.113 20 0 GEADMO CCOC(=O)[C@@H](C)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825484832 607520547 /nfs/dbraw/zinc/52/05/47/607520547.db2.gz BEAJECQMXCCCFB-VIFPVBQESA-N 1 1 392.366 2.049 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000826181927 607525958 /nfs/dbraw/zinc/52/59/58/607525958.db2.gz SIGFHXHYRCASBV-QGZVFWFLSA-N 1 1 394.483 2.075 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)CC1 ZINC000829771053 601825547 /nfs/dbraw/zinc/82/55/47/601825547.db2.gz RGQIHORNOHKSHD-UHFFFAOYSA-N 1 1 379.526 2.213 20 0 GEADMO O=S(=O)(C[C@H](O)C[NH2+]Cc1cnc(C(F)(F)F)s1)c1cccs1 ZINC000444003502 649931628 /nfs/dbraw/zinc/93/16/28/649931628.db2.gz OANSDKKKVPWGJM-MRVPVSSYSA-N 1 1 386.442 2.148 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000832979018 602336187 /nfs/dbraw/zinc/33/61/87/602336187.db2.gz JWJJAGYOCGHTQL-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000832979018 602336190 /nfs/dbraw/zinc/33/61/90/602336190.db2.gz JWJJAGYOCGHTQL-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000832979018 602336192 /nfs/dbraw/zinc/33/61/92/602336192.db2.gz JWJJAGYOCGHTQL-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000832979018 602336194 /nfs/dbraw/zinc/33/61/94/602336194.db2.gz JWJJAGYOCGHTQL-UHFFFAOYSA-N 1 1 387.524 2.359 20 0 GEADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000828464536 603303447 /nfs/dbraw/zinc/30/34/47/603303447.db2.gz CPUGKUDLAJUILX-UHFFFAOYSA-N 1 1 389.500 2.217 20 0 GEADMO COc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826198322 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608308799 /nfs/dbraw/zinc/30/87/99/608308799.db2.gz KRYWHTJBWZAKTG-UHFFFAOYSA-N 1 1 380.500 2.134 20 0 GEADMO CC[N@H+](Cc1cnn(C)c1)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825444577 608311578 /nfs/dbraw/zinc/31/15/78/608311578.db2.gz NZYHTGXOAUHTQR-UHFFFAOYSA-N 1 1 377.456 2.116 20 0 GEADMO CC[N@@H+](Cc1cnn(C)c1)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825444577 608311580 /nfs/dbraw/zinc/31/15/80/608311580.db2.gz NZYHTGXOAUHTQR-UHFFFAOYSA-N 1 1 377.456 2.116 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1-c1nn[nH]n1 ZINC000826332112 608312317 /nfs/dbraw/zinc/31/23/17/608312317.db2.gz JZGJWXMVDIPDDP-QGZVFWFLSA-N 1 1 389.467 2.394 20 0 GEADMO Cc1nn(-c2ccccc2)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000826332343 608317439 /nfs/dbraw/zinc/31/74/39/608317439.db2.gz QYEMJXAHHYLKEN-KRWDZBQOSA-N 1 1 378.484 2.031 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000824046516 608324821 /nfs/dbraw/zinc/32/48/21/608324821.db2.gz 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CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824108677 608389531 /nfs/dbraw/zinc/38/95/31/608389531.db2.gz IMFZDYSWIIUJPG-GFCCVEGCSA-N 1 1 376.436 2.352 20 0 GEADMO CC[N@@H+](CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000825425018 608406653 /nfs/dbraw/zinc/40/66/53/608406653.db2.gz XQFAKBVQWDJJPP-UHFFFAOYSA-N 1 1 383.500 2.396 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000826183551 608409624 /nfs/dbraw/zinc/40/96/24/608409624.db2.gz SHFSLVUKXZMMGM-AWEZNQCLSA-N 1 1 380.456 2.181 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1-c1nn[nH]n1 ZINC000826194278 608410385 /nfs/dbraw/zinc/41/03/85/608410385.db2.gz HRZRSKHOPSJNEH-CQSZACIVSA-N 1 1 380.456 2.181 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825281901 608419554 /nfs/dbraw/zinc/41/95/54/608419554.db2.gz MUYFITUWLAQAOR-UHFFFAOYSA-N 1 1 383.500 2.397 20 0 GEADMO c1ccc(C[N@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)CC[C@@H]32)cc1 ZINC000826521383 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CC[C@H](O)C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000825153105 608731788 /nfs/dbraw/zinc/73/17/88/608731788.db2.gz FKWUOOGUWZGNFH-SFHVURJKSA-N 1 1 377.452 2.288 20 0 GEADMO Cc1oc2ccccc2c1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826342674 608841237 /nfs/dbraw/zinc/84/12/37/608841237.db2.gz VNWRJHMZRXLWOW-CYBMUJFWSA-N 1 1 390.451 2.422 20 0 GEADMO Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC000826316921 609140990 /nfs/dbraw/zinc/14/09/90/609140990.db2.gz FIEAMGMNWIKCIP-UHFFFAOYSA-N 1 1 391.479 2.227 20 0 GEADMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824908703 609149410 /nfs/dbraw/zinc/14/94/10/609149410.db2.gz QDYFIWJSXFMNRL-FZMZJTMJSA-N 1 1 382.390 2.146 20 0 GEADMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824908703 609149411 /nfs/dbraw/zinc/14/94/11/609149411.db2.gz QDYFIWJSXFMNRL-FZMZJTMJSA-N 1 1 382.390 2.146 20 0 GEADMO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 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/nfs/dbraw/zinc/26/85/98/609268598.db2.gz GWMJQNYTHLEHHX-ZDUSSCGKSA-N 1 1 394.435 2.445 20 0 GEADMO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824744979 609285658 /nfs/dbraw/zinc/28/56/58/609285658.db2.gz KAVXYODFNMAFHF-JYJNAYRXSA-N 1 1 398.511 2.403 20 0 GEADMO C[C@@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824522880 609316165 /nfs/dbraw/zinc/31/61/65/609316165.db2.gz WBZOVWRFGXHNPZ-VXGBXAGGSA-N 1 1 389.891 2.298 20 0 GEADMO COc1cccc([C@@H]2[C@H](Nc3ccc(-c4nn[nH]n4)nn3)CC[N@H+]2C2CC2)c1 ZINC000826215175 609323041 /nfs/dbraw/zinc/32/30/41/609323041.db2.gz IMPUBQPCQUCHKA-CRAIPNDOSA-N 1 1 378.440 2.055 20 0 GEADMO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826148083 609325253 /nfs/dbraw/zinc/32/52/53/609325253.db2.gz YDDNXFKUBSNQBJ-GFCCVEGCSA-N 1 1 384.415 2.442 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824994951 609326283 /nfs/dbraw/zinc/32/62/83/609326283.db2.gz 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C[N@H+]1CC[C@](O)(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000460276490 650441216 /nfs/dbraw/zinc/44/12/16/650441216.db2.gz NYTXFMFJCBHALA-HNNXBMFYSA-N 1 1 396.702 2.391 20 0 GEADMO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000461338342 650452235 /nfs/dbraw/zinc/45/22/35/650452235.db2.gz FFMVHNPPTPMYGS-UHFFFAOYSA-N 1 1 396.329 2.302 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cnc(CC)s2)[C@@H](C)C1 ZINC000460955927 650448770 /nfs/dbraw/zinc/44/87/70/650448770.db2.gz JKPQDJLGHJEJGO-UONOGXRCSA-N 1 1 375.560 2.121 20 0 GEADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000507184464 650455381 /nfs/dbraw/zinc/45/53/81/650455381.db2.gz VOLJYJGDSVLGRS-CYBMUJFWSA-N 1 1 386.359 2.497 20 0 GEADMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccncc1Br ZINC000507222761 650456353 /nfs/dbraw/zinc/45/63/53/650456353.db2.gz DCARKPBPKMQNKZ-UHFFFAOYSA-N 1 1 375.270 2.446 20 0 GEADMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000462040371 650464779 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GEADMO COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)CC1 ZINC000507846473 650467783 /nfs/dbraw/zinc/46/77/83/650467783.db2.gz WKTREZPPRKTYND-UHFFFAOYSA-N 1 1 380.290 2.013 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2Br)CC[N@H+]1C ZINC000462111807 650469532 /nfs/dbraw/zinc/46/95/32/650469532.db2.gz NYYUEYIXLAZUHX-OCCSQVGLSA-N 1 1 375.332 2.394 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000462310404 650474778 /nfs/dbraw/zinc/47/47/78/650474778.db2.gz PLDPOPHXORGAIO-UHFFFAOYSA-N 1 1 385.873 2.390 20 0 GEADMO CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000462465689 650480783 /nfs/dbraw/zinc/48/07/83/650480783.db2.gz LZCOCHSAVXHBQJ-INIZCTEOSA-N 1 1 381.523 2.312 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000462545550 650483883 /nfs/dbraw/zinc/48/38/83/650483883.db2.gz XLASBPXOXDSPTM-CQSZACIVSA-N 1 1 386.470 2.255 20 0 GEADMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1scnc1C(=O)OC ZINC000462662259 650487475 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C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCc2cccc(Br)c2)C[C@H](C)O1 ZINC000463414795 650495145 /nfs/dbraw/zinc/49/51/45/650495145.db2.gz NXMWXKMMUAHZBV-DAYGRLMNSA-N 1 1 385.346 2.394 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](C)C[N@H+]1C ZINC000509634931 650498151 /nfs/dbraw/zinc/49/81/51/650498151.db2.gz QGTPRWGHOWZEMA-HZSPNIEDSA-N 1 1 394.313 2.353 20 0 GEADMO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467087587 650502312 /nfs/dbraw/zinc/50/23/12/650502312.db2.gz ZSHDMIVCGMHHIB-MEBBXXQBSA-N 1 1 380.286 2.295 20 0 GEADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000468137449 650504273 /nfs/dbraw/zinc/50/42/73/650504273.db2.gz FEKUWWYJKGMWNS-RCBQFDQVSA-N 1 1 389.949 2.023 20 0 GEADMO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000469336804 650509248 /nfs/dbraw/zinc/50/92/48/650509248.db2.gz POOIVTXABMOTSW-CYBMUJFWSA-N 1 1 388.917 2.294 20 0 GEADMO CNc1nnc(CC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)s1 ZINC000469487670 650510533 /nfs/dbraw/zinc/51/05/33/650510533.db2.gz JXECNKFBGJIXBA-UHFFFAOYSA-N 1 1 384.303 2.585 20 0 GEADMO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000470295635 650512973 /nfs/dbraw/zinc/51/29/73/650512973.db2.gz APKGDIRNLXIFJA-WBMJQRKESA-N 1 1 382.302 2.214 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCn2cc[nH+]c2C)cc1Cl ZINC000510649026 650515815 /nfs/dbraw/zinc/51/58/15/650515815.db2.gz SRIVPUZFXNTSSX-UHFFFAOYSA-N 1 1 388.852 2.311 20 0 GEADMO CC(C)[NH+]1CC(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000470975056 650517674 /nfs/dbraw/zinc/51/76/74/650517674.db2.gz MBJACJWGEWCGSH-OAHLLOKOSA-N 1 1 380.286 2.011 20 0 GEADMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927562 650521159 /nfs/dbraw/zinc/52/11/59/650521159.db2.gz IBYONMMWBXNQLZ-XUJVJEKNSA-N 1 1 377.913 2.076 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927562 650521160 /nfs/dbraw/zinc/52/11/60/650521160.db2.gz IBYONMMWBXNQLZ-XUJVJEKNSA-N 1 1 377.913 2.076 20 0 GEADMO Brc1ccc(C[N@H+](CCn2ccnc2)CCN2CCOCC2)o1 ZINC000510955458 650521833 /nfs/dbraw/zinc/52/18/33/650521833.db2.gz XUSGHDYRQRHJOK-UHFFFAOYSA-N 1 1 383.290 2.073 20 0 GEADMO Brc1ccc(C[N@@H+](CCn2ccnc2)CCN2CCOCC2)o1 ZINC000510955458 650521836 /nfs/dbraw/zinc/52/18/36/650521836.db2.gz XUSGHDYRQRHJOK-UHFFFAOYSA-N 1 1 383.290 2.073 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](CCO)CC1CC1 ZINC000510971684 650522275 /nfs/dbraw/zinc/52/22/75/650522275.db2.gz VIKQBMKYKBSESY-NSHDSACASA-N 1 1 388.249 2.323 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CCNS(=O)(=O)CCCOC)C12CCCCC2 ZINC000475352468 650532224 /nfs/dbraw/zinc/53/22/24/650532224.db2.gz DFAFIKLEMFPBAD-IRXDYDNUSA-N 1 1 376.563 2.002 20 0 GEADMO C[C@@](CO)([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(Br)cc1 ZINC000511585137 650538888 /nfs/dbraw/zinc/53/88/88/650538888.db2.gz ABGBFRJRTVTXDA-SFHVURJKSA-N 1 1 388.265 2.454 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000512102831 650545514 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ZINC000014930141 642377763 /nfs/dbraw/zinc/37/77/63/642377763.db2.gz YFKQSTOEWRAQIF-GFCCVEGCSA-N 1 1 381.885 2.446 20 0 GEADMO FC(F)(F)c1ccc(CCNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000016316390 642388209 /nfs/dbraw/zinc/38/82/09/642388209.db2.gz VFVUJYBJFXSJNS-UHFFFAOYSA-N 1 1 375.460 2.434 20 0 GEADMO CO[C@H]1C[NH+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1OC ZINC000488538486 650747604 /nfs/dbraw/zinc/74/76/04/650747604.db2.gz CMCXOFCMKPKVOC-IRXDYDNUSA-N 1 1 385.302 2.131 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488603834 650748905 /nfs/dbraw/zinc/74/89/05/650748905.db2.gz COTAKPOBJUXBQK-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488603834 650748906 /nfs/dbraw/zinc/74/89/06/650748906.db2.gz COTAKPOBJUXBQK-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000488613605 650749094 /nfs/dbraw/zinc/74/90/94/650749094.db2.gz WOPSYIBRKCEPPW-HNNXBMFYSA-N 1 1 398.301 2.195 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000488613605 650749096 /nfs/dbraw/zinc/74/90/96/650749096.db2.gz WOPSYIBRKCEPPW-HNNXBMFYSA-N 1 1 398.301 2.195 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488646391 650750009 /nfs/dbraw/zinc/75/00/09/650750009.db2.gz OJQKFOHJLWXNLI-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488646391 650750012 /nfs/dbraw/zinc/75/00/12/650750012.db2.gz OJQKFOHJLWXNLI-OAHLLOKOSA-N 1 1 382.302 2.495 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ncccn2)CC1 ZINC000029118279 642458100 /nfs/dbraw/zinc/45/81/00/642458100.db2.gz KFBGVESNNOSASR-CYBMUJFWSA-N 1 1 383.279 2.345 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1cccc(F)c1I ZINC000533085829 650756719 /nfs/dbraw/zinc/75/67/19/650756719.db2.gz QKTZEMDLULEXJQ-UHFFFAOYSA-N 1 1 394.253 2.209 20 0 GEADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000032734771 642497707 /nfs/dbraw/zinc/49/77/07/642497707.db2.gz HSDYZNDQCLPIHR-STQMWFEESA-N 1 1 387.933 2.241 20 0 GEADMO COCC[N@@H+](Cc1ccnn1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000489882980 650765167 /nfs/dbraw/zinc/76/51/67/650765167.db2.gz ICGPNGIIYYQPNF-INIZCTEOSA-N 1 1 398.301 2.071 20 0 GEADMO COCC[N@H+](Cc1ccnn1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000489882980 650765169 /nfs/dbraw/zinc/76/51/69/650765169.db2.gz ICGPNGIIYYQPNF-INIZCTEOSA-N 1 1 398.301 2.071 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000041927904 642536172 /nfs/dbraw/zinc/53/61/72/642536172.db2.gz LREMCQGADLNUJF-UHFFFAOYSA-N 1 1 375.922 2.050 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042056541 642540641 /nfs/dbraw/zinc/54/06/41/642540641.db2.gz LPQMITSGDCPQRZ-LSDHHAIUSA-N 1 1 380.286 2.439 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)NCc2n[nH]cc2Br)[C@H]1c1ccccc1 ZINC000533947930 650767606 /nfs/dbraw/zinc/76/76/06/650767606.db2.gz IYJNSOKJNTZZHS-UKRRQHHQSA-N 1 1 378.274 2.417 20 0 GEADMO C[C@@H]1C[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@H+]1C ZINC000533311227 650760044 /nfs/dbraw/zinc/76/00/44/650760044.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 1 1 379.302 2.372 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(CO)CC1 ZINC000046091630 642603471 /nfs/dbraw/zinc/60/34/71/642603471.db2.gz OBMVGHIEHRCIHE-NSHDSACASA-N 1 1 388.249 2.323 20 0 GEADMO C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(CO)CC1 ZINC000046091631 642603658 /nfs/dbraw/zinc/60/36/58/642603658.db2.gz OBMVGHIEHRCIHE-LLVKDONJSA-N 1 1 388.249 2.323 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000046862373 642618221 /nfs/dbraw/zinc/61/82/21/642618221.db2.gz QHDYQBXWCUCIMM-ZDUSSCGKSA-N 1 1 387.933 2.052 20 0 GEADMO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CN2CCOC2=S)CC1 ZINC000047252480 642625704 /nfs/dbraw/zinc/62/57/04/642625704.db2.gz DULOUGNJJYUFHO-UHFFFAOYSA-N 1 1 399.314 2.069 20 0 GEADMO Cc1nccn1CCC[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000534315739 650772390 /nfs/dbraw/zinc/77/23/90/650772390.db2.gz NTFBOLWCXOICLJ-UHFFFAOYSA-N 1 1 390.285 2.484 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)CC1 ZINC000050122624 642676382 /nfs/dbraw/zinc/67/63/82/642676382.db2.gz LTTXYWFSGLRGKG-MRXNPFEDSA-N 1 1 383.945 2.356 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000050202899 642677861 /nfs/dbraw/zinc/67/78/61/642677861.db2.gz KDDQIZOYQXUYEP-CYBMUJFWSA-N 1 1 396.285 2.093 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000490601570 650776918 /nfs/dbraw/zinc/77/69/18/650776918.db2.gz MMQRCMRJQBVVHH-CQSZACIVSA-N 1 1 377.279 2.305 20 0 GEADMO C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)NC(=O)NCC(F)(F)F ZINC000052458075 642719193 /nfs/dbraw/zinc/71/91/93/642719193.db2.gz MXQMBBRXBASNCZ-UHFFFAOYSA-N 1 1 381.782 2.429 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052561629 642721658 /nfs/dbraw/zinc/72/16/58/642721658.db2.gz UQSDFUBGBDBGGT-CQSZACIVSA-N 1 1 383.290 2.171 20 0 GEADMO O=C(NCCc1ccc(Br)s1)NCC[NH+]1CCSCC1 ZINC000490858970 650780701 /nfs/dbraw/zinc/78/07/01/650780701.db2.gz YQPFRYWGRCAFEA-UHFFFAOYSA-N 1 1 378.361 2.401 20 0 GEADMO Cn1cc[nH+]c1N1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000534846821 650781230 /nfs/dbraw/zinc/78/12/30/650781230.db2.gz QSJUEUBGEGYALO-CYBMUJFWSA-N 1 1 385.295 2.289 20 0 GEADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000054846807 642762556 /nfs/dbraw/zinc/76/25/56/642762556.db2.gz NJYPCKXUGWFYDO-CYBMUJFWSA-N 1 1 376.810 2.497 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000054942278 642764831 /nfs/dbraw/zinc/76/48/31/642764831.db2.gz QOYQGXPBYIEKDD-UHFFFAOYSA-N 1 1 375.803 2.434 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000054982956 642766310 /nfs/dbraw/zinc/76/63/10/642766310.db2.gz IXFDJSTUZQQMOD-KRWDZBQOSA-N 1 1 383.945 2.310 20 0 GEADMO COc1ccc(Cl)cc1NC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000491117271 650783451 /nfs/dbraw/zinc/78/34/51/650783451.db2.gz MWEHSJUMIQYVHU-ZDUSSCGKSA-N 1 1 385.917 2.231 20 0 GEADMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000491227627 650784448 /nfs/dbraw/zinc/78/44/48/650784448.db2.gz GNANHBVNUKIKKY-KBPBESRZSA-N 1 1 396.285 2.139 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000059076023 642830950 /nfs/dbraw/zinc/83/09/50/642830950.db2.gz WQYOSSQBHZNAAG-MRXNPFEDSA-N 1 1 383.583 2.326 20 0 GEADMO CN1CC[NH+](CCCNC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000063342222 642857640 /nfs/dbraw/zinc/85/76/40/642857640.db2.gz QWRLNOUVAVWGTN-UHFFFAOYSA-N 1 1 386.309 2.275 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000066187317 642899996 /nfs/dbraw/zinc/89/99/96/642899996.db2.gz SPEKBZYDEWCDIE-ZDUSSCGKSA-N 1 1 399.333 2.208 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)CSc2nncn2-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000066481579 642915580 /nfs/dbraw/zinc/91/55/80/642915580.db2.gz YZRNJEGMSJCBBZ-ZENOOKHLSA-N 1 1 382.917 2.483 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)CSc2nncn2-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000066481579 642915586 /nfs/dbraw/zinc/91/55/86/642915586.db2.gz YZRNJEGMSJCBBZ-ZENOOKHLSA-N 1 1 382.917 2.483 20 0 GEADMO C[C@@H]1CN(Cc2csc(NC(=O)C[N@H+](C)[C@H]3CCSC3)n2)C[C@H](C)O1 ZINC000536524059 650804662 /nfs/dbraw/zinc/80/46/62/650804662.db2.gz UILGEOJIRLUGIH-GUTXKFCHSA-N 1 1 384.571 2.128 20 0 GEADMO C[C@@H]1CN(Cc2csc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)n2)C[C@H](C)O1 ZINC000536524059 650804663 /nfs/dbraw/zinc/80/46/63/650804663.db2.gz UILGEOJIRLUGIH-GUTXKFCHSA-N 1 1 384.571 2.128 20 0 GEADMO CN(C)C(=O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066908132 642947240 /nfs/dbraw/zinc/94/72/40/642947240.db2.gz YZIYWCDFZARAGS-UHFFFAOYSA-N 1 1 387.311 2.345 20 0 GEADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000066924393 642951562 /nfs/dbraw/zinc/95/15/62/642951562.db2.gz STZNATFMNZDUPH-UHFFFAOYSA-N 1 1 387.933 2.193 20 0 GEADMO CC(=O)NCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066976038 642957288 /nfs/dbraw/zinc/95/72/88/642957288.db2.gz MIMHHNURPOEYQP-UHFFFAOYSA-N 1 1 387.311 2.393 20 0 GEADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C[C@@H]1O ZINC000536369147 650801005 /nfs/dbraw/zinc/80/10/05/650801005.db2.gz OFRIVTGLMJHEAJ-GYSYKLTISA-N 1 1 388.249 2.321 20 0 GEADMO CC(C)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1Br ZINC000494081821 650801164 /nfs/dbraw/zinc/80/11/64/650801164.db2.gz MYIPTFHXRVWSOO-INIZCTEOSA-N 1 1 380.330 2.233 20 0 GEADMO CC(=O)NC[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000067382156 642966054 /nfs/dbraw/zinc/96/60/54/642966054.db2.gz YWLFEQNICGRZKI-GFCCVEGCSA-N 1 1 382.258 2.163 20 0 GEADMO CC(=O)NC[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000067382156 642966064 /nfs/dbraw/zinc/96/60/64/642966064.db2.gz YWLFEQNICGRZKI-GFCCVEGCSA-N 1 1 382.258 2.163 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000068436890 642996853 /nfs/dbraw/zinc/99/68/53/642996853.db2.gz VZUZUYLBJQMCMG-GFCCVEGCSA-N 1 1 385.306 2.136 20 0 GEADMO C[N@H+](CCC(=O)NC1CCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451625 642998578 /nfs/dbraw/zinc/99/85/78/642998578.db2.gz OBJSSMZKEKJJBB-UHFFFAOYSA-N 1 1 383.290 2.163 20 0 GEADMO C[N@@H+](CCC(=O)NC1CCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451625 642998588 /nfs/dbraw/zinc/99/85/88/642998588.db2.gz OBJSSMZKEKJJBB-UHFFFAOYSA-N 1 1 383.290 2.163 20 0 GEADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000068669228 643008222 /nfs/dbraw/zinc/00/82/22/643008222.db2.gz BJTLZWXXUZLDMF-KBPBESRZSA-N 1 1 384.307 2.424 20 0 GEADMO CN(C)S(=O)(=O)CCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831174 643012617 /nfs/dbraw/zinc/01/26/17/643012617.db2.gz RMIZNEPAJPSEBP-UHFFFAOYSA-N 1 1 383.341 2.459 20 0 GEADMO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)cs1)CCC(F)(F)F ZINC000494393242 650806505 /nfs/dbraw/zinc/80/65/05/650806505.db2.gz NXCUOIIRUUIUDU-UHFFFAOYSA-N 1 1 388.433 2.087 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cc(C(=O)OC)cs1)CCC(F)(F)F ZINC000494393242 650806506 /nfs/dbraw/zinc/80/65/06/650806506.db2.gz NXCUOIIRUUIUDU-UHFFFAOYSA-N 1 1 388.433 2.087 20 0 GEADMO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000070171114 643049791 /nfs/dbraw/zinc/04/97/91/643049791.db2.gz CJWGOZYQHDEPLK-GFCCVEGCSA-N 1 1 387.265 2.291 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000071109373 643059004 /nfs/dbraw/zinc/05/90/04/643059004.db2.gz MXNCJSAXRQHQTQ-DZGCQCFKSA-N 1 1 380.286 2.439 20 0 GEADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000537180004 650810783 /nfs/dbraw/zinc/81/07/83/650810783.db2.gz RRNREFXNKBARFR-UHFFFAOYSA-N 1 1 387.311 2.296 20 0 GEADMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093415945 643076942 /nfs/dbraw/zinc/07/69/42/643076942.db2.gz UUMKNBJDCQATRD-UHFFFAOYSA-N 1 1 375.219 2.369 20 0 GEADMO C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000097617404 643097089 /nfs/dbraw/zinc/09/70/89/643097089.db2.gz HNVIMRRSYJWNQF-UHFFFAOYSA-N 1 1 387.933 2.195 20 0 GEADMO CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000101680948 643114825 /nfs/dbraw/zinc/11/48/25/643114825.db2.gz JJWMUMGTZGDTRE-DLBZAZTESA-N 1 1 380.330 2.449 20 0 GEADMO C[C@@H](CNC(=O)Cc1csc(-c2cccs2)n1)CN1CC[NH+](C)CC1 ZINC000101689952 643114922 /nfs/dbraw/zinc/11/49/22/643114922.db2.gz JFDZMBUZRNIDPC-AWEZNQCLSA-N 1 1 378.567 2.414 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000101953672 643118998 /nfs/dbraw/zinc/11/89/98/643118998.db2.gz HSCNRHGYVISSEF-UHFFFAOYSA-N 1 1 398.301 2.021 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)c1ccc(I)cc1Cl ZINC000102789654 643139316 /nfs/dbraw/zinc/13/93/16/643139316.db2.gz CUDCFFZNSRIATC-UHFFFAOYSA-N 1 1 396.656 2.253 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc(Br)c2)C[C@@H]1C ZINC000537578889 650817095 /nfs/dbraw/zinc/81/70/95/650817095.db2.gz VPKMPWKPYMWIGG-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc(Br)c2)C[C@@H]1C ZINC000537578889 650817097 /nfs/dbraw/zinc/81/70/97/650817097.db2.gz VPKMPWKPYMWIGG-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO COCCNC(=O)CN1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000103139236 643154498 /nfs/dbraw/zinc/15/44/98/643154498.db2.gz QUBWJWAOVDPFCZ-UHFFFAOYSA-N 1 1 385.961 2.202 20 0 GEADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000494812564 650817132 /nfs/dbraw/zinc/81/71/32/650817132.db2.gz UKOMUCRPYBWARZ-CYBMUJFWSA-N 1 1 376.766 2.354 20 0 GEADMO CN(CC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)c1ccc(Br)o1 ZINC000104574510 643185932 /nfs/dbraw/zinc/18/59/32/643185932.db2.gz LVJJLOYZLBONQX-UHFFFAOYSA-N 1 1 386.290 2.105 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)Cc1ccccc1 ZINC000104689014 643187867 /nfs/dbraw/zinc/18/78/67/643187867.db2.gz GHJKZBCEZAEKTD-HNNXBMFYSA-N 1 1 378.270 2.318 20 0 GEADMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)Cc1ccccc1 ZINC000104689014 643187870 /nfs/dbraw/zinc/18/78/70/643187870.db2.gz GHJKZBCEZAEKTD-HNNXBMFYSA-N 1 1 378.270 2.318 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000104735531 643189691 /nfs/dbraw/zinc/18/96/91/643189691.db2.gz RMJQZZDHQFWQIU-NSHDSACASA-N 1 1 391.896 2.448 20 0 GEADMO Cc1cc(Br)ccc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000537658443 650820219 /nfs/dbraw/zinc/82/02/19/650820219.db2.gz GTOMZGCBNZQGGM-QGZVFWFLSA-N 1 1 380.330 2.496 20 0 GEADMO CC(C)[C@@H](CNC(=O)Cc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000105318506 643202854 /nfs/dbraw/zinc/20/28/54/643202854.db2.gz HJGDDLSKXCZYPU-QGZVFWFLSA-N 1 1 382.346 2.380 20 0 GEADMO C[NH+]1CCN([C@@H](C(=O)NCCSCC(F)(F)F)c2ccccc2)CC1 ZINC000537699950 650821797 /nfs/dbraw/zinc/82/17/97/650821797.db2.gz LLELLBBVJXTGLQ-OAHLLOKOSA-N 1 1 375.460 2.387 20 0 GEADMO Cn1ncc(Br)c1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000495076863 650822797 /nfs/dbraw/zinc/82/27/97/650822797.db2.gz BVSYRMULFVQJBL-UHFFFAOYSA-N 1 1 379.302 2.379 20 0 GEADMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000106392606 643229509 /nfs/dbraw/zinc/22/95/09/643229509.db2.gz XUPQIHFHEIBMIO-HIFRSBDPSA-N 1 1 385.302 2.132 20 0 GEADMO CN(CCc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000106514622 643233059 /nfs/dbraw/zinc/23/30/59/643233059.db2.gz 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Cc1nc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Br)s1 ZINC000412214444 648044897 /nfs/dbraw/zinc/04/48/97/648044897.db2.gz KLQXVFJVADYZAD-LLVKDONJSA-N 1 1 376.320 2.181 20 0 GEADMO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@@H+](C)C1 ZINC000413042053 648058525 /nfs/dbraw/zinc/05/85/25/648058525.db2.gz KHMPEFGJTXCCTH-JSGCOSHPSA-N 1 1 398.301 2.256 20 0 GEADMO COCC(COC)[NH+]1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000413484613 648066901 /nfs/dbraw/zinc/06/69/01/648066901.db2.gz ZNSOVLGBOPTZAH-UHFFFAOYSA-N 1 1 384.274 2.374 20 0 GEADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000413647295 648078929 /nfs/dbraw/zinc/07/89/29/648078929.db2.gz YJOMGVCLMNKNIU-UHFFFAOYSA-N 1 1 387.933 2.369 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)CC[N@H+](C)C1 ZINC000413898595 648082468 /nfs/dbraw/zinc/08/24/68/648082468.db2.gz BOWGLWZCAMSWTJ-GFCCVEGCSA-N 1 1 395.253 2.372 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)CC[N@@H+](C)C1 ZINC000413898595 648082473 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GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000416468809 648135739 /nfs/dbraw/zinc/13/57/39/648135739.db2.gz HFRPIERMARAPHP-CYBMUJFWSA-N 1 1 386.901 2.422 20 0 GEADMO COc1cc(S(=O)(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1Cl ZINC000416477618 648140536 /nfs/dbraw/zinc/14/05/36/648140536.db2.gz UXFSUZMQHMJSES-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO COc1cc(S(=O)(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1Cl ZINC000416477618 648140543 /nfs/dbraw/zinc/14/05/43/648140543.db2.gz UXFSUZMQHMJSES-CYBMUJFWSA-N 1 1 388.917 2.222 20 0 GEADMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416484675 648144037 /nfs/dbraw/zinc/14/40/37/648144037.db2.gz VPZAFHDUHLWFAH-LBPRGKRZSA-N 1 1 389.949 2.407 20 0 GEADMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000416497176 648149600 /nfs/dbraw/zinc/14/96/00/648149600.db2.gz SEOXHBQBQAMGHW-MRVPVSSYSA-N 1 1 385.686 2.472 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000416558665 648171600 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20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000418110559 648281358 /nfs/dbraw/zinc/28/13/58/648281358.db2.gz JOFKWDQPXJQVSG-QWHCGFSZSA-N 1 1 384.311 2.461 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418537725 648300607 /nfs/dbraw/zinc/30/06/07/648300607.db2.gz JPVZZWWHQVHTCX-UHFFFAOYSA-N 1 1 388.465 2.024 20 0 GEADMO CCO[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@H]1n1cccn1 ZINC000419200666 648341222 /nfs/dbraw/zinc/34/12/22/648341222.db2.gz XERZKSDSHKSIFX-XUWVNRHRSA-N 1 1 393.285 2.180 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419328724 648347774 /nfs/dbraw/zinc/34/77/74/648347774.db2.gz DXEIQKQAAHWDJX-UONOGXRCSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000419335387 648348242 /nfs/dbraw/zinc/34/82/42/648348242.db2.gz WDIIPKRGYFAYAC-VNHYZAJKSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)CN1CCO ZINC000419335387 648348244 /nfs/dbraw/zinc/34/82/44/648348244.db2.gz WDIIPKRGYFAYAC-VNHYZAJKSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)CN1CCO ZINC000419335387 648348247 /nfs/dbraw/zinc/34/82/47/648348247.db2.gz WDIIPKRGYFAYAC-VNHYZAJKSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000419339145 648348309 /nfs/dbraw/zinc/34/83/09/648348309.db2.gz ZVVNDDVCJPAELB-IPYPFGDCSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)CN1CCO ZINC000419339145 648348310 /nfs/dbraw/zinc/34/83/10/648348310.db2.gz ZVVNDDVCJPAELB-IPYPFGDCSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)CN1CCO ZINC000419339145 648348312 /nfs/dbraw/zinc/34/83/12/648348312.db2.gz ZVVNDDVCJPAELB-IPYPFGDCSA-N 1 1 377.312 2.120 20 0 GEADMO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C[N@H+]1CCO ZINC000419434206 648352673 /nfs/dbraw/zinc/35/26/73/648352673.db2.gz KLFHGLXUQSXEMN-NEPJUHHUSA-N 1 1 388.281 2.185 20 0 GEADMO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000419835164 648384087 /nfs/dbraw/zinc/38/40/87/648384087.db2.gz XZQVRVAXRHTFCP-VXGBXAGGSA-N 1 1 382.096 2.218 20 0 GEADMO O=C1N[C@H](CF)C(=O)N1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000420093828 648401570 /nfs/dbraw/zinc/40/15/70/648401570.db2.gz HAVUHUOBUPWBCM-CQSZACIVSA-N 1 1 384.249 2.303 20 0 GEADMO O=C1N[C@@H](CF)C(=O)N1C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000420093824 648401696 /nfs/dbraw/zinc/40/16/96/648401696.db2.gz HAVUHUOBUPWBCM-AWEZNQCLSA-N 1 1 384.249 2.303 20 0 GEADMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)n1C ZINC000420685255 648436037 /nfs/dbraw/zinc/43/60/37/648436037.db2.gz XVBNJDFSNDVWHE-UHFFFAOYSA-N 1 1 394.831 2.219 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000420739848 648446207 /nfs/dbraw/zinc/44/62/07/648446207.db2.gz QNHYUEIXNQDCGU-LBPRGKRZSA-N 1 1 377.304 2.172 20 0 GEADMO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000420810357 648457395 /nfs/dbraw/zinc/45/73/95/648457395.db2.gz ZJRQJJNGNDQRHQ-DOMZBBRYSA-N 1 1 382.302 2.179 20 0 GEADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972248 648460451 /nfs/dbraw/zinc/46/04/51/648460451.db2.gz LOGPKIHMVYAGTJ-AWEZNQCLSA-N 1 1 375.332 2.347 20 0 GEADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972248 648460454 /nfs/dbraw/zinc/46/04/54/648460454.db2.gz LOGPKIHMVYAGTJ-AWEZNQCLSA-N 1 1 375.332 2.347 20 0 GEADMO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972881 648460645 /nfs/dbraw/zinc/46/06/45/648460645.db2.gz MIZFSGFMTHHHOV-HNNXBMFYSA-N 1 1 387.343 2.492 20 0 GEADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972250 648460692 /nfs/dbraw/zinc/46/06/92/648460692.db2.gz LOGPKIHMVYAGTJ-CQSZACIVSA-N 1 1 375.332 2.347 20 0 GEADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972250 648460694 /nfs/dbraw/zinc/46/06/94/648460694.db2.gz LOGPKIHMVYAGTJ-CQSZACIVSA-N 1 1 375.332 2.347 20 0 GEADMO CCN1CCC([N@@H+]2CCCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000420976940 648460975 /nfs/dbraw/zinc/46/09/75/648460975.db2.gz HJZSARMLLHZALO-UHFFFAOYSA-N 1 1 384.366 2.175 20 0 GEADMO CCN1CCC([N@H+]2CCCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000420976940 648460984 /nfs/dbraw/zinc/46/09/84/648460984.db2.gz HJZSARMLLHZALO-UHFFFAOYSA-N 1 1 384.366 2.175 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1Br)NC(=O)NC1CC1 ZINC000420982323 648461010 /nfs/dbraw/zinc/46/10/10/648461010.db2.gz ZOCRXVGHHPIWFT-AWEZNQCLSA-N 1 1 380.286 2.444 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)NC(=O)NC1CC1 ZINC000420982323 648461015 /nfs/dbraw/zinc/46/10/15/648461015.db2.gz ZOCRXVGHHPIWFT-AWEZNQCLSA-N 1 1 380.286 2.444 20 0 GEADMO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420985128 648462006 /nfs/dbraw/zinc/46/20/06/648462006.db2.gz KPEHDUKXFMYFEM-LRDDRELGSA-N 1 1 382.302 2.006 20 0 GEADMO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420985128 648462009 /nfs/dbraw/zinc/46/20/09/648462009.db2.gz KPEHDUKXFMYFEM-LRDDRELGSA-N 1 1 382.302 2.006 20 0 GEADMO CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421034126 648462469 /nfs/dbraw/zinc/46/24/69/648462469.db2.gz GRKRJCLJYKLPMT-HNNXBMFYSA-N 1 1 375.332 2.395 20 0 GEADMO CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421034126 648462472 /nfs/dbraw/zinc/46/24/72/648462472.db2.gz GRKRJCLJYKLPMT-HNNXBMFYSA-N 1 1 375.332 2.395 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421034879 648462496 /nfs/dbraw/zinc/46/24/96/648462496.db2.gz OPQUYCVIQCNDNC-QGZVFWFLSA-N 1 1 383.286 2.151 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421034879 648462497 /nfs/dbraw/zinc/46/24/97/648462497.db2.gz OPQUYCVIQCNDNC-QGZVFWFLSA-N 1 1 383.286 2.151 20 0 GEADMO O=C(C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1)N1CCNC1=O ZINC000421047802 648462998 /nfs/dbraw/zinc/46/29/98/648462998.db2.gz YKCHYNUJXYDOJW-HNNXBMFYSA-N 1 1 380.286 2.398 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1)N1CCNC1=O ZINC000421047802 648463004 /nfs/dbraw/zinc/46/30/04/648463004.db2.gz YKCHYNUJXYDOJW-HNNXBMFYSA-N 1 1 380.286 2.398 20 0 GEADMO C[N@@H+](CCCCNC(=O)C(=O)N1CCc2c1cccc2Br)C1CC1 ZINC000421241343 648477278 /nfs/dbraw/zinc/47/72/78/648477278.db2.gz XGTUMTPQQMENFB-UHFFFAOYSA-N 1 1 394.313 2.329 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000421300681 648486321 /nfs/dbraw/zinc/48/63/21/648486321.db2.gz IBFONZSQJGVLQL-GFCCVEGCSA-N 1 1 395.301 2.213 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000421303792 648486609 /nfs/dbraw/zinc/48/66/09/648486609.db2.gz SNBPVTIPWDEVIJ-JTQLQIEISA-N 1 1 390.228 2.218 20 0 GEADMO CC(C)[N@H+]1CCc2nc(CN3C[C@H](C(N)=O)[C@@H](C(F)(F)F)C3)sc2C1 ZINC000421397894 648490481 /nfs/dbraw/zinc/49/04/81/648490481.db2.gz YGXXGQQKUFFDPO-QWRGUYRKSA-N 1 1 376.448 2.005 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422022882 648518389 /nfs/dbraw/zinc/51/83/89/648518389.db2.gz OKTDZUFPAMZHDL-DOMZBBRYSA-N 1 1 382.302 2.120 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CS1 ZINC000422352165 648539103 /nfs/dbraw/zinc/53/91/03/648539103.db2.gz DQESLTXLXYGOKB-HOSILWTGSA-N 1 1 381.567 2.257 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000422514461 648554608 /nfs/dbraw/zinc/55/46/08/648554608.db2.gz HGHPELKUIVBVMP-CJNGLKHVSA-N 1 1 396.329 2.172 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000422515963 648555142 /nfs/dbraw/zinc/55/51/42/648555142.db2.gz IXRHENYTWYQTBP-UKRRQHHQSA-N 1 1 396.329 2.315 20 0 GEADMO C[C@@H]1CC[NH2+]CC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423110126 648580823 /nfs/dbraw/zinc/58/08/23/648580823.db2.gz UOTMJFHFDQNKKD-DGCLKSJQSA-N 1 1 380.341 2.249 20 0 GEADMO O=S(=O)(CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145611 648584281 /nfs/dbraw/zinc/58/42/81/648584281.db2.gz LQFUPRQJKJCABE-OKZBNKHCSA-N 1 1 386.945 2.251 20 0 GEADMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000424002140 648608607 /nfs/dbraw/zinc/60/86/07/648608607.db2.gz CTDYRKBLJABBKL-UWVGGRQHSA-N 1 1 398.248 2.224 20 0 GEADMO CCOCC[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424663588 648637205 /nfs/dbraw/zinc/63/72/05/648637205.db2.gz KPIMNGMUZJFFHK-UHFFFAOYSA-N 1 1 396.285 2.314 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@@H](C)C1 ZINC000424804320 648648662 /nfs/dbraw/zinc/64/86/62/648648662.db2.gz ZTTZVGBWIZSHHM-RYUDHWBXSA-N 1 1 396.285 2.046 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2noc3ccc(Br)cc23)[C@@H](C)C1 ZINC000424804320 648648664 /nfs/dbraw/zinc/64/86/64/648648664.db2.gz ZTTZVGBWIZSHHM-RYUDHWBXSA-N 1 1 396.285 2.046 20 0 GEADMO COC(=O)CN(Cc1c[nH+]c(N(C)C)n1C)Cc1cccc(Br)c1 ZINC000425336190 648674056 /nfs/dbraw/zinc/67/40/56/648674056.db2.gz KEFJSJNGHMZIKC-UHFFFAOYSA-N 1 1 395.301 2.424 20 0 GEADMO COc1cc(Br)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(OC)c1 ZINC000425376674 648674615 /nfs/dbraw/zinc/67/46/15/648674615.db2.gz YJPSOOMFLVPGGJ-UHFFFAOYSA-N 1 1 398.301 2.456 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000425426490 648676469 /nfs/dbraw/zinc/67/64/69/648676469.db2.gz VYRDEXLMXLGICH-QGZVFWFLSA-N 1 1 379.551 2.487 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000425426490 648676475 /nfs/dbraw/zinc/67/64/75/648676475.db2.gz VYRDEXLMXLGICH-QGZVFWFLSA-N 1 1 379.551 2.487 20 0 GEADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425501660 648681561 /nfs/dbraw/zinc/68/15/61/648681561.db2.gz AKPKQAHLIRIKLG-TUKIKUTGSA-N 1 1 383.286 2.114 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425824351 648699751 /nfs/dbraw/zinc/69/97/51/648699751.db2.gz YSMQVGFDFJGZSC-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CCC[N@H+]1C ZINC000426132453 648704519 /nfs/dbraw/zinc/70/45/19/648704519.db2.gz YPCPMFYYEZRYPZ-RISCZKNCSA-N 1 1 390.347 2.497 20 0 GEADMO CN(Cc1c(Br)cnn1C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000426150360 648704960 /nfs/dbraw/zinc/70/49/60/648704960.db2.gz UBRVFUKIHATHFR-SFHVURJKSA-N 1 1 393.329 2.251 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H]1CCO ZINC000426248193 648710266 /nfs/dbraw/zinc/71/02/66/648710266.db2.gz KUNKIYFKRUYULH-HNNXBMFYSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@@H]1CN(Cc2ncc(Br)cc2Br)CC[N@H+]1CCO ZINC000428472743 648735179 /nfs/dbraw/zinc/73/51/79/648735179.db2.gz JLOWKGSLCSFGMS-SNVBAGLBSA-N 1 1 393.123 2.105 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428611368 648741147 /nfs/dbraw/zinc/74/11/47/648741147.db2.gz NMLXCAOTUVAYTL-UHFFFAOYSA-N 1 1 375.922 2.275 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000428620650 648742159 /nfs/dbraw/zinc/74/21/59/648742159.db2.gz LUANRBGUKIPCPX-UNEWFSDZSA-N 1 1 398.345 2.382 20 0 GEADMO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429026039 648743894 /nfs/dbraw/zinc/74/38/94/648743894.db2.gz BTSZEVBDPQJOSD-ABAIWWIYSA-N 1 1 391.281 2.143 20 0 GEADMO C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747615 648767548 /nfs/dbraw/zinc/76/75/48/648767548.db2.gz MTKIZLWPWLTZEK-COPLHBTASA-N 1 1 390.347 2.230 20 0 GEADMO C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747615 648767554 /nfs/dbraw/zinc/76/75/54/648767554.db2.gz MTKIZLWPWLTZEK-COPLHBTASA-N 1 1 390.347 2.230 20 0 GEADMO CN(Cc1nn(C)cc1Br)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000432805227 648780211 /nfs/dbraw/zinc/78/02/11/648780211.db2.gz NNXISSDEEITLHT-SFHVURJKSA-N 1 1 393.329 2.251 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000441094266 648819874 /nfs/dbraw/zinc/81/98/74/648819874.db2.gz PJVRLWNKCFOBHS-MNOVXSKESA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000441094266 648819876 /nfs/dbraw/zinc/81/98/76/648819876.db2.gz PJVRLWNKCFOBHS-MNOVXSKESA-N 1 1 386.265 2.468 20 0 GEADMO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000441876086 648835575 /nfs/dbraw/zinc/83/55/75/648835575.db2.gz RYOMFXGPXOQOHJ-UHFFFAOYSA-N 1 1 384.249 2.223 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000442262308 648840040 /nfs/dbraw/zinc/84/00/40/648840040.db2.gz BPPBGMWGKRPACR-NWDGAFQWSA-N 1 1 398.301 2.337 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000442262308 648840042 /nfs/dbraw/zinc/84/00/42/648840042.db2.gz BPPBGMWGKRPACR-NWDGAFQWSA-N 1 1 398.301 2.337 20 0 GEADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000442274263 648841073 /nfs/dbraw/zinc/84/10/73/648841073.db2.gz QKXDWBHOIYRGJY-RKDXNWHRSA-N 1 1 390.228 2.217 20 0 GEADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000442274263 648841075 /nfs/dbraw/zinc/84/10/75/648841075.db2.gz QKXDWBHOIYRGJY-RKDXNWHRSA-N 1 1 390.228 2.217 20 0 GEADMO [NH3+]CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000442613873 648846378 /nfs/dbraw/zinc/84/63/78/648846378.db2.gz GEYFKGKPSSWCCM-JTQLQIEISA-N 1 1 398.248 2.369 20 0 GEADMO CC[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000442888399 648851662 /nfs/dbraw/zinc/85/16/62/648851662.db2.gz GMDWVRPDLCQAQD-DOMZBBRYSA-N 1 1 377.913 2.077 20 0 GEADMO CC[N@H+]1CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000442888399 648851664 /nfs/dbraw/zinc/85/16/64/648851664.db2.gz GMDWVRPDLCQAQD-DOMZBBRYSA-N 1 1 377.913 2.077 20 0 GEADMO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000443250295 648869169 /nfs/dbraw/zinc/86/91/69/648869169.db2.gz VLOQRYXEQLTZPE-NEPJUHHUSA-N 1 1 382.507 2.449 20 0 GEADMO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)cc2)cs1 ZINC000443789035 648888076 /nfs/dbraw/zinc/88/80/76/648888076.db2.gz LSVCFYCJZBBPKL-QGZVFWFLSA-N 1 1 381.523 2.283 20 0 GEADMO Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)cc2)cs1 ZINC000443789035 648888078 /nfs/dbraw/zinc/88/80/78/648888078.db2.gz LSVCFYCJZBBPKL-QGZVFWFLSA-N 1 1 381.523 2.283 20 0 GEADMO O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000548298703 651076524 /nfs/dbraw/zinc/07/65/24/651076524.db2.gz MYQFVGFQQBVNJV-RISCZKNCSA-N 1 1 376.678 2.299 20 0 GEADMO COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000548369286 651077746 /nfs/dbraw/zinc/07/77/46/651077746.db2.gz RRJUSLCZRNWISQ-CZUORRHYSA-N 1 1 388.917 2.205 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000549711437 651099226 /nfs/dbraw/zinc/09/92/26/651099226.db2.gz YOGZSIKQWRTEFG-UHFFFAOYSA-N 1 1 393.285 2.392 20 0 GEADMO C[C@H](COC1CCCC1)CS(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000549813381 651101310 /nfs/dbraw/zinc/10/13/10/651101310.db2.gz UGLUYPLTVWJLIP-SJORKVTESA-N 1 1 376.563 2.002 20 0 GEADMO C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)[C@H]1C ZINC000549924517 651103409 /nfs/dbraw/zinc/10/34/09/651103409.db2.gz YQPDLESWRRVAPJ-STQMWFEESA-N 1 1 386.359 2.495 20 0 GEADMO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000549963307 651104298 /nfs/dbraw/zinc/10/42/98/651104298.db2.gz CVCUEPPJHJAZFL-WOSRLPQWSA-N 1 1 396.329 2.425 20 0 GEADMO CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)[C@@H](C)CO ZINC000550356147 651109870 /nfs/dbraw/zinc/10/98/70/651109870.db2.gz PKNQVEGAQACBNA-NSHDSACASA-N 1 1 376.238 2.241 20 0 GEADMO O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br)N1CCNC1=O ZINC000550525599 651112736 /nfs/dbraw/zinc/11/27/36/651112736.db2.gz JMTAEKGHBVSYJO-CQSZACIVSA-N 1 1 380.286 2.398 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br)N1CCNC1=O ZINC000550525599 651112739 /nfs/dbraw/zinc/11/27/39/651112739.db2.gz JMTAEKGHBVSYJO-CQSZACIVSA-N 1 1 380.286 2.398 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000550743389 651114683 /nfs/dbraw/zinc/11/46/83/651114683.db2.gz PDGCFEGBQBZFHE-SNVBAGLBSA-N 1 1 378.420 2.033 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1Br ZINC000551746595 651131427 /nfs/dbraw/zinc/13/14/27/651131427.db2.gz MXDDZBFZXXSONR-ZDUSSCGKSA-N 1 1 398.301 2.339 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1Br ZINC000551746595 651131429 /nfs/dbraw/zinc/13/14/29/651131429.db2.gz MXDDZBFZXXSONR-ZDUSSCGKSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000551907522 651135943 /nfs/dbraw/zinc/13/59/43/651135943.db2.gz PMZWYAZXZPCKPS-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000551907522 651135944 /nfs/dbraw/zinc/13/59/44/651135944.db2.gz PMZWYAZXZPCKPS-LLVKDONJSA-N 1 1 386.265 2.388 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3nncn3C2)cc1Br ZINC000552003846 651137397 /nfs/dbraw/zinc/13/73/97/651137397.db2.gz TXUFYCRLWBGTJX-GFCCVEGCSA-N 1 1 378.274 2.303 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)s1 ZINC000552134528 651141689 /nfs/dbraw/zinc/14/16/89/651141689.db2.gz OPIKPDSSMHCGLW-HOTGVXAUSA-N 1 1 384.567 2.162 20 0 GEADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000552470608 651150225 /nfs/dbraw/zinc/15/02/25/651150225.db2.gz AKDWKFDYCZCHLS-SWLSCSKDSA-N 1 1 379.913 2.346 20 0 GEADMO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000552543647 651152209 /nfs/dbraw/zinc/15/22/09/651152209.db2.gz JACWWRQABYHINE-UHFFFAOYSA-N 1 1 396.329 2.235 20 0 GEADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H](C(F)(F)F)C1 ZINC000552907117 651160819 /nfs/dbraw/zinc/16/08/19/651160819.db2.gz RZVHWTTWGRPAGL-NXEZZACHSA-N 1 1 378.420 2.018 20 0 GEADMO COCCC[N@@H+](C)CCNc1ncc(Br)c(OC(C)(C)C)n1 ZINC000553076304 651164056 /nfs/dbraw/zinc/16/40/56/651164056.db2.gz IDHWMPKVYFHFSH-UHFFFAOYSA-N 1 1 375.311 2.797 20 0 GEADMO Cc1cc(NCC(=O)Nc2ccc(I)cc2)nc(C)[nH+]1 ZINC000553227506 651168625 /nfs/dbraw/zinc/16/86/25/651168625.db2.gz MMOZAUDOUNMPTF-UHFFFAOYSA-N 1 1 382.205 2.749 20 0 GEADMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H](C)C1 ZINC000553769034 651187448 /nfs/dbraw/zinc/18/74/48/651187448.db2.gz DKPQFXJUXUZTFB-ZOWXZIJZSA-N 1 1 399.276 2.489 20 0 GEADMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000553861858 651191346 /nfs/dbraw/zinc/19/13/46/651191346.db2.gz BMVIBUWXCCTNGG-CMPLNLGQSA-N 1 1 382.379 2.439 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(F)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000553861858 651191350 /nfs/dbraw/zinc/19/13/50/651191350.db2.gz BMVIBUWXCCTNGG-CMPLNLGQSA-N 1 1 382.379 2.439 20 0 GEADMO CC(=O)NCC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CCSCC1 ZINC000555073566 651217569 /nfs/dbraw/zinc/21/75/69/651217569.db2.gz PGKXTDCGDUDJHL-MRXNPFEDSA-N 1 1 386.945 2.413 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000555166020 651219461 /nfs/dbraw/zinc/21/94/61/651219461.db2.gz SXFGNAPLFBBSJO-ZDUSSCGKSA-N 1 1 392.301 2.168 20 0 GEADMO CN1CC[NH+](CCCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000555283806 651221995 /nfs/dbraw/zinc/22/19/95/651221995.db2.gz CEALMSDXQJJCEI-UHFFFAOYSA-N 1 1 375.485 2.071 20 0 GEADMO NC(=O)c1ncn(C2CC[NH+](Cc3cc(F)ccc3Br)CC2)c1N ZINC000556088223 651236492 /nfs/dbraw/zinc/23/64/92/651236492.db2.gz FVKQTKXPOGCBJU-UHFFFAOYSA-N 1 1 396.264 2.303 20 0 GEADMO C[C@@](N)(C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000557171267 651265947 /nfs/dbraw/zinc/26/59/47/651265947.db2.gz IJINOHKMHWJIGL-SFHVURJKSA-N 1 1 391.313 2.314 20 0 GEADMO C[C@@H](C[NH2+]Cc1ccc(I)cc1Cl)S(C)(=O)=O ZINC000558603792 651283192 /nfs/dbraw/zinc/28/31/92/651283192.db2.gz HJJHHFHTKYCMPE-QMMMGPOBSA-N 1 1 387.670 2.467 20 0 GEADMO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000558630718 651283755 /nfs/dbraw/zinc/28/37/55/651283755.db2.gz IUCHMLUFXXRJNN-GFCCVEGCSA-N 1 1 394.317 2.081 20 0 GEADMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000558740965 651283932 /nfs/dbraw/zinc/28/39/32/651283932.db2.gz GAQMJAPWQCYCIQ-LBPRGKRZSA-N 1 1 379.295 2.302 20 0 GEADMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000558740957 651283951 /nfs/dbraw/zinc/28/39/51/651283951.db2.gz GAQMJAPWQCYCIQ-GFCCVEGCSA-N 1 1 379.295 2.302 20 0 GEADMO C[C@@H](O)C[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558740607 651284028 /nfs/dbraw/zinc/28/40/28/651284028.db2.gz AOHPAGOMCODTLR-INMHGKMJSA-N 1 1 388.961 2.235 20 0 GEADMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000558736806 651284069 /nfs/dbraw/zinc/28/40/69/651284069.db2.gz VFVJVERLPHGATK-CYBMUJFWSA-N 1 1 375.332 2.471 20 0 GEADMO O=c1c(Br)c(N[C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccn1 ZINC000558939012 651288322 /nfs/dbraw/zinc/28/83/22/651288322.db2.gz BDMCNSAJNRUDTN-LLVKDONJSA-N 1 1 387.241 2.013 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccccc2Br)C[C@@H]1C ZINC000559630297 651299344 /nfs/dbraw/zinc/29/93/44/651299344.db2.gz FKSQRUSMEPNDER-QWHCGFSZSA-N 1 1 382.302 2.006 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccccc2Br)C[C@@H]1C ZINC000559630297 651299346 /nfs/dbraw/zinc/29/93/46/651299346.db2.gz FKSQRUSMEPNDER-QWHCGFSZSA-N 1 1 382.302 2.006 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000560303687 651306703 /nfs/dbraw/zinc/30/67/03/651306703.db2.gz YMEAPDKVUWMYLZ-KGLIPLIRSA-N 1 1 398.345 2.343 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000560672128 651313943 /nfs/dbraw/zinc/31/39/43/651313943.db2.gz LTBHLKPRYRNSIW-BBRMVZONSA-N 1 1 384.307 2.205 20 0 GEADMO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000560882224 651471075 /nfs/dbraw/zinc/47/10/75/651471075.db2.gz BXNBJDQVNFRTOR-CHWSQXEVSA-N 1 1 387.933 2.053 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719056778 651475449 /nfs/dbraw/zinc/47/54/49/651475449.db2.gz FVDXYDZUIYGDNJ-CQSZACIVSA-N 1 1 383.286 2.102 20 0 GEADMO CCSc1ccc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000561273840 651477375 /nfs/dbraw/zinc/47/73/75/651477375.db2.gz IAQRXOSCZWCAQP-AWEZNQCLSA-N 1 1 381.567 2.141 20 0 GEADMO O=S(=O)(NCc1c[nH+]c2n1CCCC2)c1cc(F)ccc1OC(F)F ZINC000643213508 651480856 /nfs/dbraw/zinc/48/08/56/651480856.db2.gz ATOPNAFXKDRJHI-UHFFFAOYSA-N 1 1 375.372 2.438 20 0 GEADMO CCOC(=O)CC(C)(C)CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000561867357 651483550 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CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccccc2Br)CC1 ZINC000622119444 652183800 /nfs/dbraw/zinc/18/38/00/652183800.db2.gz CSVNJBBODMYGQL-UHFFFAOYSA-N 1 1 383.334 2.274 20 0 GEADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)N[C@@H]1CCSC1 ZINC000577394710 652184709 /nfs/dbraw/zinc/18/47/09/652184709.db2.gz OAFAYEWVPFEISZ-CJNGLKHVSA-N 1 1 381.929 2.215 20 0 GEADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657670354 652188812 /nfs/dbraw/zinc/18/88/12/652188812.db2.gz UIOGELTWEVJYFB-ZDUSSCGKSA-N 1 1 386.265 2.325 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657670354 652188820 /nfs/dbraw/zinc/18/88/20/652188820.db2.gz UIOGELTWEVJYFB-ZDUSSCGKSA-N 1 1 386.265 2.325 20 0 GEADMO NC(=O)Cn1cc(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000657786198 652206014 /nfs/dbraw/zinc/20/60/14/652206014.db2.gz NKJAOBYCTRTJHN-OAHLLOKOSA-N 1 1 378.274 2.083 20 0 GEADMO CN(C(=O)C(=O)Nc1cccc(Br)c1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657839992 652209922 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GEADMO O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1cccc(Br)c1 ZINC000661599267 652434523 /nfs/dbraw/zinc/43/45/23/652434523.db2.gz SQEFDTULBNPPAB-IUODEOHRSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@H](NC(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000661605609 652435328 /nfs/dbraw/zinc/43/53/28/652435328.db2.gz SGKVVTHHPBIRPH-JGGQBBKZSA-N 1 1 394.313 2.227 20 0 GEADMO Cc1cc(Br)ncc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000754464582 652436815 /nfs/dbraw/zinc/43/68/15/652436815.db2.gz TXLUWKGFJJIVIY-ZDUSSCGKSA-N 1 1 383.290 2.481 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661696657 652438212 /nfs/dbraw/zinc/43/82/12/652438212.db2.gz LTTXWWPFJZGLKO-KDOFPFPSSA-N 1 1 397.313 2.255 20 0 GEADMO O=C(c1cc(Br)ccc1O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627738602 652439207 /nfs/dbraw/zinc/43/92/07/652439207.db2.gz MIVGYADOQPMERI-UHFFFAOYSA-N 1 1 383.286 2.482 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000627827840 652440267 /nfs/dbraw/zinc/44/02/67/652440267.db2.gz KCCQMGMDIYKRJA-NSHDSACASA-N 1 1 386.265 2.375 20 0 GEADMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000661978591 652443859 /nfs/dbraw/zinc/44/38/59/652443859.db2.gz MVQLPJJFHUIORZ-UHFFFAOYSA-N 1 1 385.961 2.404 20 0 GEADMO O=C(COc1ccc(F)cc1Br)N1CC[NH+](CCCF)CC1 ZINC000627954245 652444841 /nfs/dbraw/zinc/44/48/41/652444841.db2.gz HMNOOXRKLUGBER-UHFFFAOYSA-N 1 1 377.229 2.471 20 0 GEADMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662017228 652445386 /nfs/dbraw/zinc/44/53/86/652445386.db2.gz OWYUIVDKKYHKND-QWHCGFSZSA-N 1 1 390.311 2.421 20 0 GEADMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662016172 652445456 /nfs/dbraw/zinc/44/54/56/652445456.db2.gz HCMLPZHBQBMODB-STQMWFEESA-N 1 1 390.311 2.421 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC2(COC2)C1 ZINC000662077265 652447132 /nfs/dbraw/zinc/44/71/32/652447132.db2.gz DQQSMZQYXXQOIH-UHFFFAOYSA-N 1 1 383.286 2.009 20 0 GEADMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000662111019 652448261 /nfs/dbraw/zinc/44/82/61/652448261.db2.gz LCOYNSIERICNSS-ZBFHGGJFSA-N 1 1 399.329 2.425 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@]1(C)CO ZINC000662138547 652448689 /nfs/dbraw/zinc/44/86/89/652448689.db2.gz QZVKMKKOIDNZAZ-RDTXWAMCSA-N 1 1 399.329 2.237 20 0 GEADMO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@]1(C)CO ZINC000662150710 652449127 /nfs/dbraw/zinc/44/91/27/652449127.db2.gz RSNYYXJGNZYJKY-NHYWBVRUSA-N 1 1 375.332 2.419 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160149 652449998 /nfs/dbraw/zinc/44/99/98/652449998.db2.gz MTOLYYXSRGEQGJ-HUUCEWRRSA-N 1 1 389.323 2.264 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1Br ZINC000628126359 652452566 /nfs/dbraw/zinc/45/25/66/652452566.db2.gz MZVXXEWECCSBOU-UHFFFAOYSA-N 1 1 385.306 2.232 20 0 GEADMO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2oc3ccccc3c2Br)C1 ZINC000662246054 652454446 /nfs/dbraw/zinc/45/44/46/652454446.db2.gz XYXYDPPSAMQRGB-GFCCVEGCSA-N 1 1 380.286 2.482 20 0 GEADMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(I)c1O ZINC000755039436 652455628 /nfs/dbraw/zinc/45/56/28/652455628.db2.gz KOPFJRZSHPHZPN-OLZOCXBDSA-N 1 1 386.233 2.353 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(I)c1O ZINC000755039436 652455629 /nfs/dbraw/zinc/45/56/29/652455629.db2.gz KOPFJRZSHPHZPN-OLZOCXBDSA-N 1 1 386.233 2.353 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)co1)c1ccsc1 ZINC000662327570 652456003 /nfs/dbraw/zinc/45/60/03/652456003.db2.gz GYOKOXTYBWKOOK-SECBINFHSA-N 1 1 376.360 2.113 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)CNc2ccc(I)cc2)C[C@H](C)O1 ZINC000582661147 652457844 /nfs/dbraw/zinc/45/78/44/652457844.db2.gz QYMKAKUSLAFPET-TYNCELHUSA-N 1 1 390.265 2.173 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000628496211 652459748 /nfs/dbraw/zinc/45/97/48/652459748.db2.gz LMHFOBAWHQNUMP-AWEZNQCLSA-N 1 1 382.917 2.287 20 0 GEADMO C[NH2+][C@@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1cccc(Cl)c1Cl ZINC000662409404 652459832 /nfs/dbraw/zinc/45/98/32/652459832.db2.gz JKQWCFFAPYJRTE-IAQYHMDHSA-N 1 1 385.295 2.270 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000628496755 652460056 /nfs/dbraw/zinc/46/00/56/652460056.db2.gz YAFBLFSWOWSVHD-CYBMUJFWSA-N 1 1 382.917 2.491 20 0 GEADMO [NH3+][C@@H](C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccccc1Br ZINC000662458719 652462096 /nfs/dbraw/zinc/46/20/96/652462096.db2.gz RJZBSASBHKIEJI-OAHLLOKOSA-N 1 1 376.254 2.355 20 0 GEADMO C[NH+](C)CC1CCN(C(=O)c2cccc(I)c2O)CC1 ZINC000755315381 652462437 /nfs/dbraw/zinc/46/24/37/652462437.db2.gz FOXVAPTZSDYDDW-UHFFFAOYSA-N 1 1 388.249 2.411 20 0 GEADMO Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)C2 ZINC000662463926 652462495 /nfs/dbraw/zinc/46/24/95/652462495.db2.gz CVBPNNUJXVJGHJ-LRDDRELGSA-N 1 1 375.270 2.221 20 0 GEADMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(I)c1O ZINC000755404638 652464682 /nfs/dbraw/zinc/46/46/82/652464682.db2.gz HQLMVRWRYRJLIH-GWCFXTLKSA-N 1 1 388.249 2.409 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(I)c1O ZINC000755404638 652464685 /nfs/dbraw/zinc/46/46/85/652464685.db2.gz HQLMVRWRYRJLIH-GWCFXTLKSA-N 1 1 388.249 2.409 20 0 GEADMO [NH3+][C@H](C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1Br ZINC000662504411 652464860 /nfs/dbraw/zinc/46/48/60/652464860.db2.gz VWBYLSLLCMNPRS-CVEARBPZSA-N 1 1 394.313 2.499 20 0 GEADMO C[NH2+][C@H](C(=O)NCC1CCS(=O)(=O)CC1)c1cccc(Cl)c1Cl ZINC000662506712 652465180 /nfs/dbraw/zinc/46/51/80/652465180.db2.gz DSAXWLMNZWDTEF-AWEZNQCLSA-N 1 1 379.309 2.195 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H](Cn2ccnn2)C1 ZINC000662506475 652465192 /nfs/dbraw/zinc/46/51/92/652465192.db2.gz AJJZBQSYKHXZJI-JTQLQIEISA-N 1 1 396.314 2.258 20 0 GEADMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@](O)(C(F)(F)F)C1 ZINC000662532857 652466381 /nfs/dbraw/zinc/46/63/81/652466381.db2.gz ZLHACYBVPLTGLM-LLVKDONJSA-N 1 1 385.205 2.253 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662545374 652467202 /nfs/dbraw/zinc/46/72/02/652467202.db2.gz FUSHGZNJJBJZQY-HZMBPMFUSA-N 1 1 379.309 2.147 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1Br ZINC000662546662 652467268 /nfs/dbraw/zinc/46/72/68/652467268.db2.gz VPOMBWYVHHXZNR-UHOFOFEASA-N 1 1 397.313 2.133 20 0 GEADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000582938623 652467820 /nfs/dbraw/zinc/46/78/20/652467820.db2.gz VMDOHHVGRURPKU-JTQLQIEISA-N 1 1 378.420 2.399 20 0 GEADMO CC1(C)CC[NH2+][C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000662564855 652468054 /nfs/dbraw/zinc/46/80/54/652468054.db2.gz AIWIJLUXJYOZMA-ZDUSSCGKSA-N 1 1 378.274 2.239 20 0 GEADMO CC1(C)CC[NH2+][C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000662564855 652468055 /nfs/dbraw/zinc/46/80/55/652468055.db2.gz AIWIJLUXJYOZMA-ZDUSSCGKSA-N 1 1 378.274 2.239 20 0 GEADMO [NH3+][C@H](C(=O)N1CCn2c(CC3CC3)nnc2C1)c1ccccc1Br ZINC000662581352 652468913 /nfs/dbraw/zinc/46/89/13/652468913.db2.gz GQZSUXPMKZCABL-INIZCTEOSA-N 1 1 390.285 2.035 20 0 GEADMO CNc1cc(I)ccc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000582973701 652469260 /nfs/dbraw/zinc/46/92/60/652469260.db2.gz HHUJOECTJQIZQF-QWRGUYRKSA-N 1 1 387.265 2.498 20 0 GEADMO COCCOC1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662593256 652469279 /nfs/dbraw/zinc/46/92/79/652469279.db2.gz MVOPCVCMNONTFM-UHFFFAOYSA-N 1 1 389.315 2.381 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000628739123 652469608 /nfs/dbraw/zinc/46/96/08/652469608.db2.gz KKBZOVQSASJFAO-CYBMUJFWSA-N 1 1 382.302 2.027 20 0 GEADMO C[NH2+][C@H](C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1cccc(Cl)c1Cl ZINC000662658483 652470344 /nfs/dbraw/zinc/47/03/44/652470344.db2.gz ATAHSNXJLOVRFE-RULNRJAQSA-N 1 1 379.309 2.336 20 0 GEADMO CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662737144 652472375 /nfs/dbraw/zinc/47/23/75/652472375.db2.gz LSXVSEOUEBXQLP-IUODEOHRSA-N 1 1 382.302 2.212 20 0 GEADMO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000662745347 652472815 /nfs/dbraw/zinc/47/28/15/652472815.db2.gz KUJGGMXTFRBFOA-UHFFFAOYSA-N 1 1 388.295 2.419 20 0 GEADMO C[N@@H+]1CCO[C@H](CSCC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000583380525 652482530 /nfs/dbraw/zinc/48/25/30/652482530.db2.gz NNVNHVZAGVKVDN-RDJZCZTQSA-N 1 1 377.535 2.413 20 0 GEADMO C[N@H+]1CCO[C@H](CSCC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000583380525 652482534 /nfs/dbraw/zinc/48/25/34/652482534.db2.gz NNVNHVZAGVKVDN-RDJZCZTQSA-N 1 1 377.535 2.413 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000583415284 652483789 /nfs/dbraw/zinc/48/37/89/652483789.db2.gz YGCAENQJIMWUQL-JTQLQIEISA-N 1 1 378.420 2.399 20 0 GEADMO COc1cc(Br)ccc1[C@H]1CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000629560100 652493077 /nfs/dbraw/zinc/49/30/77/652493077.db2.gz XGQINJPBMHOHMP-MRXNPFEDSA-N 1 1 396.329 2.417 20 0 GEADMO [NH3+]C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CC[C@H]1C(F)(F)F ZINC000629562949 652493535 /nfs/dbraw/zinc/49/35/35/652493535.db2.gz ORJVSEDNMIPSJP-ZIAGYGMSSA-N 1 1 375.460 2.482 20 0 GEADMO O=C(CCN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000663390271 652496476 /nfs/dbraw/zinc/49/64/76/652496476.db2.gz VOYWNNADISYPEA-MRXNPFEDSA-N 1 1 382.302 2.184 20 0 GEADMO O=C(CCN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000663390270 652496530 /nfs/dbraw/zinc/49/65/30/652496530.db2.gz VOYWNNADISYPEA-INIZCTEOSA-N 1 1 382.302 2.184 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1Br ZINC000583869101 652500447 /nfs/dbraw/zinc/50/04/47/652500447.db2.gz XEKOVOSEIWUZET-LLVKDONJSA-N 1 1 390.709 2.311 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(Cl)ccc1Br ZINC000583869101 652500452 /nfs/dbraw/zinc/50/04/52/652500452.db2.gz XEKOVOSEIWUZET-LLVKDONJSA-N 1 1 390.709 2.311 20 0 GEADMO Cc1nc(C)c(Br)c(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000663521756 652502736 /nfs/dbraw/zinc/50/27/36/652502736.db2.gz OGEDTLPLQQBBAA-CYBMUJFWSA-N 1 1 384.322 2.211 20 0 GEADMO CCOc1cccc(Cl)c1C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000584060960 652507900 /nfs/dbraw/zinc/50/79/00/652507900.db2.gz OEXLPPWOABZPAZ-UHFFFAOYSA-N 1 1 389.901 2.339 20 0 GEADMO CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630559434 652511963 /nfs/dbraw/zinc/51/19/63/652511963.db2.gz RSVUUDDJGNCQGF-PKOBYXMFSA-N 1 1 394.357 2.480 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cc(Br)cnn1 ZINC000663827391 652512367 /nfs/dbraw/zinc/51/23/67/652512367.db2.gz XVVIFBRBMNSNJC-BLLLJJGKSA-N 1 1 379.306 2.492 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663937458 652517167 /nfs/dbraw/zinc/51/71/67/652517167.db2.gz HUTGIZPOFMBXCB-CQSZACIVSA-N 1 1 378.300 2.246 20 0 GEADMO C[NH+](C)C[C@@H](Cc1ccccc1)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631050833 652519084 /nfs/dbraw/zinc/51/90/84/652519084.db2.gz DVTZVSKWQIJZSK-MRXNPFEDSA-N 1 1 381.929 2.250 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1ccncc1Br)NCc1ccccc1 ZINC000631051413 652519119 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C[NH+](C)CCn1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cn1 ZINC000631555299 652527808 /nfs/dbraw/zinc/52/78/08/652527808.db2.gz PHZVEGMGWXAUPY-UHFFFAOYSA-N 1 1 377.246 2.336 20 0 GEADMO C[NH+](C)CCN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000631642320 652529235 /nfs/dbraw/zinc/52/92/35/652529235.db2.gz CRBYXNHGZJECGS-LLVKDONJSA-N 1 1 397.299 2.323 20 0 GEADMO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000631646485 652529636 /nfs/dbraw/zinc/52/96/36/652529636.db2.gz MRPBJOHLVIRFKX-ZDUSSCGKSA-N 1 1 376.404 2.020 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000664597114 652531283 /nfs/dbraw/zinc/53/12/83/652531283.db2.gz MDONWMKUIBLOMR-VIFPVBQESA-N 1 1 379.766 2.245 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000631699352 652531479 /nfs/dbraw/zinc/53/14/79/652531479.db2.gz YSEAQQDWCOKTKC-UHFFFAOYSA-N 1 1 380.432 2.279 20 0 GEADMO Brc1ccc2c(c1)OCCN(c1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000664620941 652532957 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Cc1nc(NCC(=O)Nc2ccc(I)cc2)c(C)c(C)[nH+]1 ZINC000588046548 652546532 /nfs/dbraw/zinc/54/65/32/652546532.db2.gz AXLQRWSFUQFKJN-UHFFFAOYSA-N 1 1 396.232 3.057 20 0 GEADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1)C(C)C ZINC000588225838 652550785 /nfs/dbraw/zinc/55/07/85/652550785.db2.gz IUTWMCBVOGDQEP-HNNXBMFYSA-N 1 1 387.571 2.056 20 0 GEADMO CCOc1cccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c1OC(F)F ZINC000632091671 652550867 /nfs/dbraw/zinc/55/08/67/652550867.db2.gz LSIQBHVXSYWFMQ-UHFFFAOYSA-N 1 1 378.441 2.200 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632419407 652562075 /nfs/dbraw/zinc/56/20/75/652562075.db2.gz FIDCUBYWHFKLOL-SNVBAGLBSA-N 1 1 382.349 2.152 20 0 GEADMO O=C(NCC1(CO)CC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665952376 652564975 /nfs/dbraw/zinc/56/49/75/652564975.db2.gz QSOBYMZMDGBUFS-UHFFFAOYSA-N 1 1 396.329 2.485 20 0 GEADMO Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632791767 652580014 /nfs/dbraw/zinc/58/00/14/652580014.db2.gz 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ZINC000592098120 652585429 /nfs/dbraw/zinc/58/54/29/652585429.db2.gz XJFAZQZEWGQNMA-CQSZACIVSA-N 1 1 385.302 2.445 20 0 GEADMO CC(C)(C)OC(=O)CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC000592130538 652588389 /nfs/dbraw/zinc/58/83/89/652588389.db2.gz NFDVYOVVQIHHJU-OAHLLOKOSA-N 1 1 375.531 2.024 20 0 GEADMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000667085438 652591184 /nfs/dbraw/zinc/59/11/84/652591184.db2.gz GETKBPVPSJPDNF-NSHDSACASA-N 1 1 383.290 2.415 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192436 652596186 /nfs/dbraw/zinc/59/61/86/652596186.db2.gz UPZPKRUANWBXFF-LLVKDONJSA-N 1 1 381.278 2.486 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760175749 652597576 /nfs/dbraw/zinc/59/75/76/652597576.db2.gz VGNWJVNYQHPWFM-UHFFFAOYSA-N 1 1 395.301 2.333 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000667375940 652602953 /nfs/dbraw/zinc/60/29/53/652602953.db2.gz DPEJQZGNIMVDJC-SNVBAGLBSA-N 1 1 381.274 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GEADMO CN1C(=O)N(C[C@@H]2C[N@@H+](C)CCN2C)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277680 652640788 /nfs/dbraw/zinc/64/07/88/652640788.db2.gz IKFVCEDGRMIMLA-WFASDCNBSA-N 1 1 385.295 2.174 20 0 GEADMO CCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000668435035 652641779 /nfs/dbraw/zinc/64/17/79/652641779.db2.gz YTPWOZLZCGPARH-HNNXBMFYSA-N 1 1 382.302 2.008 20 0 GEADMO CCN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668435036 652641903 /nfs/dbraw/zinc/64/19/03/652641903.db2.gz YTPWOZLZCGPARH-OAHLLOKOSA-N 1 1 382.302 2.008 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000668435362 652642094 /nfs/dbraw/zinc/64/20/94/652642094.db2.gz DRRHWEVMURMGFF-ZETCQYMHSA-N 1 1 399.182 2.456 20 0 GEADMO CCN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000668459272 652643104 /nfs/dbraw/zinc/64/31/04/652643104.db2.gz DJYYXMYBCNVQMK-INIZCTEOSA-N 1 1 396.329 2.051 20 0 GEADMO COc1cc(Br)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000668536572 652646560 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GEADMO CONC(=O)C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000879920924 653687239 /nfs/dbraw/zinc/68/72/39/653687239.db2.gz HCYKTNNTOYEJJU-GFCCVEGCSA-N 1 1 398.301 2.016 20 0 GEADMO CONC(=O)C1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000879925069 653687635 /nfs/dbraw/zinc/68/76/35/653687635.db2.gz YFZLAGBUCVTBDG-UHFFFAOYSA-N 1 1 388.295 2.042 20 0 GEADMO CNS(=O)(=O)CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000784000088 653688101 /nfs/dbraw/zinc/68/81/01/653688101.db2.gz UXIVITMGQBHOJW-UHFFFAOYSA-N 1 1 377.297 2.126 20 0 GEADMO Cn1c(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)cnc1Cl ZINC000862539054 653688226 /nfs/dbraw/zinc/68/82/26/653688226.db2.gz WSVCVYBYJUEAFE-RYDUCSDGSA-N 1 1 376.810 2.305 20 0 GEADMO O=S1(=O)C[C@@H]2CC[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000879938669 653688986 /nfs/dbraw/zinc/68/89/86/653688986.db2.gz FJBSOASSEDGHJE-NWDGAFQWSA-N 1 1 392.290 2.334 20 0 GEADMO O=S1(=O)C[C@@H]2CC[N@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC000879938669 653688988 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GEADMO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000840724746 653691846 /nfs/dbraw/zinc/69/18/46/653691846.db2.gz BEFLUPJRPIVFLG-AWEZNQCLSA-N 1 1 381.523 2.123 20 0 GEADMO C[C@]12C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880013321 653692145 /nfs/dbraw/zinc/69/21/45/653692145.db2.gz LOTXCRHBPBSKHN-OAGGEKHMSA-N 1 1 377.428 2.495 20 0 GEADMO C[C@]12C[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880013321 653692149 /nfs/dbraw/zinc/69/21/49/653692149.db2.gz LOTXCRHBPBSKHN-OAGGEKHMSA-N 1 1 377.428 2.495 20 0 GEADMO O=C(C[NH+]1CCC2(COC(=O)N2)CC1)NCCc1cccc(Cl)c1Cl ZINC000784458045 653694657 /nfs/dbraw/zinc/69/46/57/653694657.db2.gz UYEMGYUDUNNSHS-UHFFFAOYSA-N 1 1 386.279 2.227 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000816897562 653695309 /nfs/dbraw/zinc/69/53/09/653695309.db2.gz HOUJWJKUPCIHOF-IYBDPMFKSA-N 1 1 375.579 2.098 20 0 GEADMO C[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@H](C(F)(F)F)O1 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388.249 2.323 20 0 GEADMO Cc1cc(NC(=O)C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)no1 ZINC000880221987 653701160 /nfs/dbraw/zinc/70/11/60/653701160.db2.gz XDBFCRSYGPSWPH-AKAXFMLLSA-N 1 1 380.242 2.324 20 0 GEADMO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221744 653701183 /nfs/dbraw/zinc/70/11/83/653701183.db2.gz QRSJRNOZCIRYET-KDYLLFBJSA-N 1 1 393.285 2.367 20 0 GEADMO COC(=O)c1cnc(CC2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)s1 ZINC000880273661 653702485 /nfs/dbraw/zinc/70/24/85/653702485.db2.gz DPUBJXSWANYFFR-UHFFFAOYSA-N 1 1 386.539 2.009 20 0 GEADMO COc1cc(Br)c(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1OC ZINC000880309257 653703306 /nfs/dbraw/zinc/70/33/06/653703306.db2.gz TZGCKJXCZZGYMO-OKILXGFUSA-N 1 1 383.286 2.376 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc(Br)cnc1OC ZINC000863220465 653704031 /nfs/dbraw/zinc/70/40/31/653704031.db2.gz LWYQZQIAHLZCHA-ZDUSSCGKSA-N 1 1 387.347 2.301 20 0 GEADMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000880425657 653705863 /nfs/dbraw/zinc/70/58/63/653705863.db2.gz PTAWITMTWCZSDA-DAXOMENPSA-N 1 1 385.302 2.362 20 0 GEADMO CC1(C)[C@@H](NC(=O)COc2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880502677 653707025 /nfs/dbraw/zinc/70/70/25/653707025.db2.gz LHZVQKATNAULNX-HOTGVXAUSA-N 1 1 397.313 2.443 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)Nc1ccccc1Br ZINC000880529681 653707602 /nfs/dbraw/zinc/70/76/02/653707602.db2.gz MTRPCAAFCJCZAA-WBMJQRKESA-N 1 1 380.286 2.378 20 0 GEADMO COc1ncc(Br)cc1C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000863385799 653708721 /nfs/dbraw/zinc/70/87/21/653708721.db2.gz NGXSWIQTWBOXAZ-NSHDSACASA-N 1 1 396.207 2.496 20 0 GEADMO Cn1nc(Br)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476354 653709830 /nfs/dbraw/zinc/70/98/30/653709830.db2.gz YCFUXLYOJJTDIF-DOTOQJQBSA-N 1 1 393.329 2.155 20 0 GEADMO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000785476354 653709831 /nfs/dbraw/zinc/70/98/31/653709831.db2.gz YCFUXLYOJJTDIF-DOTOQJQBSA-N 1 1 393.329 2.155 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000880633077 653710492 /nfs/dbraw/zinc/71/04/92/653710492.db2.gz WZLHTGYQSWUGCX-ZDUSSCGKSA-N 1 1 386.290 2.378 20 0 GEADMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)nn3C)C2=O)cc1 ZINC000785520713 653711433 /nfs/dbraw/zinc/71/14/33/653711433.db2.gz MIBCNXBBIVCRGX-HNNXBMFYSA-N 1 1 377.286 2.382 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841390081 653714793 /nfs/dbraw/zinc/71/47/93/653714793.db2.gz BKQIRZHVVJVOHF-GFCCVEGCSA-N 1 1 395.253 2.006 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841390081 653714798 /nfs/dbraw/zinc/71/47/98/653714798.db2.gz BKQIRZHVVJVOHF-GFCCVEGCSA-N 1 1 395.253 2.006 20 0 GEADMO CC(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)ONC(=O)OC(C)(C)C ZINC000817613282 653715594 /nfs/dbraw/zinc/71/55/94/653715594.db2.gz DQCGPUNQKQOOAF-ZIAGYGMSSA-N 1 1 375.535 2.021 20 0 GEADMO CC[NH+]1CCC(N2CCCN(C(=O)c3n[nH]c(C)c3Br)CC2)CC1 ZINC000817659104 653716988 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GEADMO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C1 ZINC000918009427 654140391 /nfs/dbraw/zinc/14/03/91/654140391.db2.gz DJLLIIFNFTUJHJ-LLVKDONJSA-N 1 1 382.404 2.301 20 0 GEADMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C1 ZINC000918009427 654140396 /nfs/dbraw/zinc/14/03/96/654140396.db2.gz DJLLIIFNFTUJHJ-LLVKDONJSA-N 1 1 382.404 2.301 20 0 GEADMO O=C(c1c(F)cncc1Br)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870091846 654143946 /nfs/dbraw/zinc/14/39/46/654143946.db2.gz LYCZPIRATLSZQM-CQSZACIVSA-N 1 1 380.217 2.476 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000870121592 654145667 /nfs/dbraw/zinc/14/56/67/654145667.db2.gz BNHSHUOOLZMYAY-GFCCVEGCSA-N 1 1 378.274 2.097 20 0 GEADMO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000800460326 654146192 /nfs/dbraw/zinc/14/61/92/654146192.db2.gz PROMSSHWASPJJU-HUUCEWRRSA-N 1 1 376.316 2.382 20 0 GEADMO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000800460326 654146198 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O=C(Cc1ccc(Br)cc1F)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748068 654166842 /nfs/dbraw/zinc/16/68/42/654166842.db2.gz DHWFMTUICYDWTP-JKSUJKDBSA-N 1 1 385.277 2.188 20 0 GEADMO CCOC(=O)N1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000851637972 654167240 /nfs/dbraw/zinc/16/72/40/654167240.db2.gz TXXKXCUSMPNAHG-UHFFFAOYSA-N 1 1 388.287 2.028 20 0 GEADMO O=C(c1cc(Cl)ncc1Br)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750737 654167273 /nfs/dbraw/zinc/16/72/73/654167273.db2.gz OFPUJBUQUFLPFP-CHWSQXEVSA-N 1 1 388.693 2.169 20 0 GEADMO CCOC(=O)N1CC[C@@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000851640233 654167628 /nfs/dbraw/zinc/16/76/28/654167628.db2.gz XIUIZVAXQCLYBA-MRVPVSSYSA-N 1 1 388.287 2.074 20 0 GEADMO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757134 654168900 /nfs/dbraw/zinc/16/89/00/654168900.db2.gz RIBVCUUUQHFXEO-QWHCGFSZSA-N 1 1 380.901 2.463 20 0 GEADMO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757134 654168905 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20 0 GEADMO O=C(CCc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889769387 654171018 /nfs/dbraw/zinc/17/10/18/654171018.db2.gz TUCPNYZVYHVRBB-IAGOWNOFSA-N 1 1 381.314 2.439 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889768731 654171328 /nfs/dbraw/zinc/17/13/28/654171328.db2.gz PCHYKNASYVVHMZ-IAOVAPTHSA-N 1 1 397.313 2.274 20 0 GEADMO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889776341 654171912 /nfs/dbraw/zinc/17/19/12/654171912.db2.gz ZQHJODBVNWRISQ-JKSUJKDBSA-N 1 1 385.277 2.188 20 0 GEADMO O=S(=O)([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1cnns1)C1CC1 ZINC000902304813 654172398 /nfs/dbraw/zinc/17/23/98/654172398.db2.gz MSWXVIXMPQXOPU-QGZVFWFLSA-N 1 1 378.523 2.107 20 0 GEADMO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000851732715 654173446 /nfs/dbraw/zinc/17/34/46/654173446.db2.gz BCXBOPYKLVOMAU-HNNXBMFYSA-N 1 1 390.442 2.481 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCN2CCOC2=O)c1 ZINC000831242812 654173931 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Cc1nn(C)c(Br)c1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000801166734 654180488 /nfs/dbraw/zinc/18/04/88/654180488.db2.gz MDSSJQVLEPIWPG-TXEJJXNPSA-N 1 1 387.322 2.110 20 0 GEADMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000851821082 654183394 /nfs/dbraw/zinc/18/33/94/654183394.db2.gz MPULLTVJFRHINW-VIFPVBQESA-N 1 1 382.711 2.260 20 0 GEADMO CCn1cnc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000902558867 654184242 /nfs/dbraw/zinc/18/42/42/654184242.db2.gz QGRJRMCJBWFCPT-UHFFFAOYSA-N 1 1 377.297 2.278 20 0 GEADMO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000902639559 654189666 /nfs/dbraw/zinc/18/96/66/654189666.db2.gz PVNYOFAIWFTEEJ-JSGCOSHPSA-N 1 1 385.511 2.281 20 0 GEADMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000902639559 654189673 /nfs/dbraw/zinc/18/96/73/654189673.db2.gz PVNYOFAIWFTEEJ-JSGCOSHPSA-N 1 1 385.511 2.281 20 0 GEADMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000902639558 654189779 /nfs/dbraw/zinc/18/97/79/654189779.db2.gz PVNYOFAIWFTEEJ-GXTWGEPZSA-N 1 1 385.511 2.281 20 0 GEADMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000902639558 654189783 /nfs/dbraw/zinc/18/97/83/654189783.db2.gz PVNYOFAIWFTEEJ-GXTWGEPZSA-N 1 1 385.511 2.281 20 0 GEADMO C[N@@H+](CCn1cnc(Br)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000851842838 654189928 /nfs/dbraw/zinc/18/99/28/654189928.db2.gz REBFVKPNKRRBON-UHFFFAOYSA-N 1 1 392.301 2.277 20 0 GEADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)nc1 ZINC000851844866 654190287 /nfs/dbraw/zinc/19/02/87/654190287.db2.gz CUUUHGSFHKBGJU-ZDUSSCGKSA-N 1 1 393.289 2.095 20 0 GEADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCn3cnc(Br)n3)C2)nc1 ZINC000851844866 654190293 /nfs/dbraw/zinc/19/02/93/654190293.db2.gz CUUUHGSFHKBGJU-ZDUSSCGKSA-N 1 1 393.289 2.095 20 0 GEADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3scnc3Cl)cc2)CC1 ZINC000919748230 654191738 /nfs/dbraw/zinc/19/17/38/654191738.db2.gz JNVXGAGMPVFWHK-UHFFFAOYSA-N 1 1 378.885 2.114 20 0 GEADMO COC(=O)c1sccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570234 654191848 /nfs/dbraw/zinc/19/18/48/654191848.db2.gz FVBVOJJSEJFHHH-JQWIXIFHSA-N 1 1 376.400 2.377 20 0 GEADMO COC(=O)c1sccc1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570234 654191849 /nfs/dbraw/zinc/19/18/49/654191849.db2.gz FVBVOJJSEJFHHH-JQWIXIFHSA-N 1 1 376.400 2.377 20 0 GEADMO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000831598087 654193454 /nfs/dbraw/zinc/19/34/54/654193454.db2.gz YHDDWSIGHOVRIB-LBPRGKRZSA-N 1 1 396.962 2.142 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000831598087 654193460 /nfs/dbraw/zinc/19/34/60/654193460.db2.gz YHDDWSIGHOVRIB-LBPRGKRZSA-N 1 1 396.962 2.142 20 0 GEADMO O[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1cccc(Br)c1 ZINC000801679587 654202873 /nfs/dbraw/zinc/20/28/73/654202873.db2.gz MNTIQBFQPQEBFM-CQSZACIVSA-N 1 1 379.258 2.221 20 0 GEADMO C[NH+](C)C1(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CC1 ZINC000870888746 654204277 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GEADMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000831782538 654208996 /nfs/dbraw/zinc/20/89/96/654208996.db2.gz PPGOJAYAHRGVGC-LSDHHAIUSA-N 1 1 376.316 2.382 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C2 ZINC000920281849 654209022 /nfs/dbraw/zinc/20/90/22/654209022.db2.gz IBLHIUXHQCYFTJ-YIKOMLBNSA-N 1 1 378.947 2.160 20 0 GEADMO Cc1cc2c(CC(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)csc2s1 ZINC000870941716 654210835 /nfs/dbraw/zinc/21/08/35/654210835.db2.gz YXGTXBCNOSYZOX-CQSZACIVSA-N 1 1 377.535 2.237 20 0 GEADMO NC(=O)[C@@](O)(C[N@H+]1CCC[C@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000852021336 654213828 /nfs/dbraw/zinc/21/38/28/654213828.db2.gz FIBLYZXFYUJKGI-FUHWJXTLSA-N 1 1 390.281 2.354 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@H]1CC2(CO1)CCOCC2)c1ccccc1Br ZINC000870961311 654214804 /nfs/dbraw/zinc/21/48/04/654214804.db2.gz DNUOMTIDACSMGY-DOMZBBRYSA-N 1 1 383.286 2.151 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852067313 654216290 /nfs/dbraw/zinc/21/62/90/654216290.db2.gz XKZMWAWTCOAIGE-ZOWXZIJZSA-N 1 1 388.295 2.189 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125081 654219327 /nfs/dbraw/zinc/21/93/27/654219327.db2.gz KKCJNXMVBRPBFC-XJKSGUPXSA-N 1 1 390.311 2.437 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000852122743 654219460 /nfs/dbraw/zinc/21/94/60/654219460.db2.gz AVRRSESLNOWHCW-SHZVTRLKSA-N 1 1 383.411 2.039 20 0 GEADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(F)c3Br)CC[C@H]21 ZINC000890429950 654219624 /nfs/dbraw/zinc/21/96/24/654219624.db2.gz JYTDNSWRVAQBJC-GXFFZTMASA-N 1 1 384.249 2.079 20 0 GEADMO C[C@H]1CN(CCn2cnc(Br)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000852140051 654220643 /nfs/dbraw/zinc/22/06/43/654220643.db2.gz HLABSBSSAOIIIA-HNNXBMFYSA-N 1 1 378.318 2.495 20 0 GEADMO C[C@H](NC(=O)NCC1SCCS1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852138566 654220999 /nfs/dbraw/zinc/22/09/99/654220999.db2.gz FHAVAZATVNGIED-HOCLYGCPSA-N 1 1 381.567 2.381 20 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654226075 /nfs/dbraw/zinc/22/60/75/654226075.db2.gz JOPMPUXFINGQAW-VQISRLSMSA-N 1 1 376.284 2.045 20 0 GEADMO C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000852219141 654226083 /nfs/dbraw/zinc/22/60/83/654226083.db2.gz JOPMPUXFINGQAW-VQISRLSMSA-N 1 1 376.284 2.045 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(OC(F)(F)F)c1 ZINC000903229189 654229813 /nfs/dbraw/zinc/22/98/13/654229813.db2.gz FITGJOUSXJAKFX-SNVBAGLBSA-N 1 1 388.433 2.293 20 0 GEADMO OCCOCC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCC1 ZINC000852289913 654230596 /nfs/dbraw/zinc/23/05/96/654230596.db2.gz GHBMWEJWFUDAPQ-INIZCTEOSA-N 1 1 376.266 2.485 20 0 GEADMO O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000852307475 654231291 /nfs/dbraw/zinc/23/12/91/654231291.db2.gz ZBFUXARNWTUKSK-DLUDVSRJSA-N 1 1 383.480 2.394 20 0 GEADMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000903299177 654233322 /nfs/dbraw/zinc/23/33/22/654233322.db2.gz HAEYRKQZEQAYHD-MGPQQGTHSA-N 1 1 390.299 2.061 20 0 GEADMO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000852411295 654238147 /nfs/dbraw/zinc/23/81/47/654238147.db2.gz SGEJGZSVTRSBKO-UHFFFAOYSA-N 1 1 375.256 2.310 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1 ZINC000852458637 654241713 /nfs/dbraw/zinc/24/17/13/654241713.db2.gz JHRVSOFZMVOJKZ-VWLOTQADSA-N 1 1 379.448 2.249 20 0 GEADMO CC(C)(C)OCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533227 654246967 /nfs/dbraw/zinc/24/69/67/654246967.db2.gz VTWZIIURIXKETK-UHFFFAOYSA-N 1 1 378.258 2.335 20 0 GEADMO CCCCOCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533296 654247069 /nfs/dbraw/zinc/24/70/69/654247069.db2.gz XGPNUSLSEWUOLA-UHFFFAOYSA-N 1 1 378.258 2.336 20 0 GEADMO Ic1cnnn1C1CC[NH+](CCc2cncs2)CC1 ZINC000852533086 654247089 /nfs/dbraw/zinc/24/70/89/654247089.db2.gz TZXWOKNZZPCOBD-UHFFFAOYSA-N 1 1 389.266 2.219 20 0 GEADMO CO[C@H](CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(F)cc1 ZINC000921322688 654247836 /nfs/dbraw/zinc/24/78/36/654247836.db2.gz 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CCOC(=O)c1ncc(Br)c(NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000891716946 654308379 /nfs/dbraw/zinc/30/83/79/654308379.db2.gz BOIASYLYDLWBCI-UHFFFAOYSA-N 1 1 394.273 2.025 20 0 GEADMO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1nc3ccccn3c1Br)CC2 ZINC000904393549 654308862 /nfs/dbraw/zinc/30/88/62/654308862.db2.gz XGYWTFNSPPWRBO-ZDUSSCGKSA-N 1 1 379.302 2.427 20 0 GEADMO Cc1cc(NC(=O)C[NH2+]Cc2c3c(nn2C)CCOC3)ccc1Br ZINC000921729471 654313311 /nfs/dbraw/zinc/31/33/11/654313311.db2.gz PWIFZCNGGZQNNN-UHFFFAOYSA-N 1 1 393.285 2.292 20 0 GEADMO O=C(NCc1noc([C@]23C[C@H]2CCC[NH2+]3)n1)c1ccc(Br)cc1 ZINC000904713110 654317652 /nfs/dbraw/zinc/31/76/52/654317652.db2.gz KOVBCKYZEMREQD-BZNIZROVSA-N 1 1 377.242 2.361 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCSCC(F)(F)F)C2 ZINC000921750040 654318042 /nfs/dbraw/zinc/31/80/42/654318042.db2.gz KHLWXBQWKRHQBI-GUIRCDHDSA-N 1 1 383.480 2.061 20 0 GEADMO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C)cnc2Cl)c1 ZINC000921751907 654318239 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O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921910182 654340928 /nfs/dbraw/zinc/34/09/28/654340928.db2.gz HJKUNXSHECTTLZ-AWEZNQCLSA-N 1 1 376.881 2.152 20 0 GEADMO O=S(=O)(Cc1ccc(F)cc1Cl)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912578 654341390 /nfs/dbraw/zinc/34/13/90/654341390.db2.gz TUWIWNIOCQNEBQ-OAHLLOKOSA-N 1 1 376.881 2.152 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(F)ccc2Br)CC1 ZINC000805050859 654341521 /nfs/dbraw/zinc/34/15/21/654341521.db2.gz FTXMQKMLSDLPLR-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)C(F)(F)c1ccc(Br)cc1 ZINC000854141879 654341642 /nfs/dbraw/zinc/34/16/42/654341642.db2.gz RWTIPUKYXIQYGS-UHFFFAOYSA-N 1 1 377.229 2.379 20 0 GEADMO Cc1cc(N(C)S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cc[nH+]1 ZINC000805063579 654344512 /nfs/dbraw/zinc/34/45/12/654344512.db2.gz CDZOIPSNZCCGKN-UHFFFAOYSA-N 1 1 376.406 2.211 20 0 GEADMO C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872471858 654348080 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CNS(=O)(=O)c1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892664074 654356861 /nfs/dbraw/zinc/35/68/61/654356861.db2.gz YNXYSPZDYOUEAC-UHFFFAOYSA-N 1 1 379.429 2.446 20 0 GEADMO CCC[N@H+](C)[C@H](CNC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451021 654358378 /nfs/dbraw/zinc/35/83/78/654358378.db2.gz CHNKPQMUTJNXNP-NVXWUHKLSA-N 1 1 390.908 2.366 20 0 GEADMO CCC[N@@H+](C)[C@H](CNC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451021 654358380 /nfs/dbraw/zinc/35/83/80/654358380.db2.gz CHNKPQMUTJNXNP-NVXWUHKLSA-N 1 1 390.908 2.366 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000835045197 654359647 /nfs/dbraw/zinc/35/96/47/654359647.db2.gz GATMZKMFQMIQRG-DGCLKSJQSA-N 1 1 397.317 2.328 20 0 GEADMO CN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC[N@@H+](C)CC1 ZINC000892723150 654361280 /nfs/dbraw/zinc/36/12/80/654361280.db2.gz IBNMTZAYEPICSY-QGZVFWFLSA-N 1 1 395.345 2.325 20 0 GEADMO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000905521024 654362816 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2.475 20 0 GEADMO O=C(CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO)Nc1ccc(Cl)cc1F ZINC000122172815 532060088 /nfs/dbraw/zinc/06/00/88/532060088.db2.gz SOKFDCWIMDXARP-NSHDSACASA-N 1 1 386.773 2.415 20 0 GEADMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2cccs2)C1 ZINC000122250624 532062731 /nfs/dbraw/zinc/06/27/31/532062731.db2.gz MQEKKXLQHIIMFK-WBVHZDCISA-N 1 1 379.551 2.452 20 0 GEADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCCNS(=O)(=O)c2cccs2)C1 ZINC000122250624 532062736 /nfs/dbraw/zinc/06/27/36/532062736.db2.gz MQEKKXLQHIIMFK-WBVHZDCISA-N 1 1 379.551 2.452 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000174386348 532063380 /nfs/dbraw/zinc/06/33/80/532063380.db2.gz IQBLGNLIHBUDHV-CQSZACIVSA-N 1 1 397.313 2.478 20 0 GEADMO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174428234 532064360 /nfs/dbraw/zinc/06/43/60/532064360.db2.gz QQRMBJLYSSRHJR-CYBMUJFWSA-N 1 1 394.278 2.107 20 0 GEADMO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174428234 532064363 /nfs/dbraw/zinc/06/43/63/532064363.db2.gz QQRMBJLYSSRHJR-CYBMUJFWSA-N 1 1 394.278 2.107 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000122285332 532064900 /nfs/dbraw/zinc/06/49/00/532064900.db2.gz QLBMJDKSQLVCFK-JSGCOSHPSA-N 1 1 395.301 2.034 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000122365350 532067490 /nfs/dbraw/zinc/06/74/90/532067490.db2.gz RJHYOLLCIQLTNM-MRVPVSSYSA-N 1 1 380.176 2.251 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000174587880 532070797 /nfs/dbraw/zinc/07/07/97/532070797.db2.gz WLYDSXCBAFDIJX-UHFFFAOYSA-N 1 1 383.901 2.496 20 0 GEADMO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CC[NH+](C2CC2)CC1 ZINC000122510369 532073436 /nfs/dbraw/zinc/07/34/36/532073436.db2.gz KVLFJCOYGGZLHE-UHFFFAOYSA-N 1 1 391.273 2.342 20 0 GEADMO C[C@H](CNC(=O)NCc1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000174781301 532078086 /nfs/dbraw/zinc/07/80/86/532078086.db2.gz YEOYEOQLHMQMNG-CQSZACIVSA-N 1 1 383.334 2.132 20 0 GEADMO C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000122555234 532076015 /nfs/dbraw/zinc/07/60/15/532076015.db2.gz UODCDLLKIZCODO-KCJUWKMLSA-N 1 1 383.271 2.339 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000174831649 532079363 /nfs/dbraw/zinc/07/93/63/532079363.db2.gz MUEFFKJHYCHLCA-AWEZNQCLSA-N 1 1 397.361 2.440 20 0 GEADMO CCC(=O)N1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000122710442 532079804 /nfs/dbraw/zinc/07/98/04/532079804.db2.gz XFHXYHHGSYYONL-OAHLLOKOSA-N 1 1 385.302 2.133 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[N@@H+](C)C1CC1 ZINC000174910086 532082322 /nfs/dbraw/zinc/08/23/22/532082322.db2.gz ACCDZPLZAABDJU-QMMMGPOBSA-N 1 1 390.228 2.265 20 0 GEADMO CS(=O)(=O)CC1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000174941894 532084433 /nfs/dbraw/zinc/08/44/33/532084433.db2.gz YNBYPMMNFIOSRR-UHFFFAOYSA-N 1 1 380.491 2.453 20 0 GEADMO CCOC(=O)c1nc(NC2CC[NH+](CCN(C)C)CC2)ccc1Br ZINC000603276372 532087426 /nfs/dbraw/zinc/08/74/26/532087426.db2.gz UVHDYXWDRVZVEE-UHFFFAOYSA-N 1 1 399.333 2.459 20 0 GEADMO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@H+]1C ZINC000123518705 532101813 /nfs/dbraw/zinc/10/18/13/532101813.db2.gz CPAUIAYYQNCZLU-NEPJUHHUSA-N 1 1 386.290 2.055 20 0 GEADMO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000123566639 532103141 /nfs/dbraw/zinc/10/31/41/532103141.db2.gz UASITGZVOXHYPF-RISCZKNCSA-N 1 1 385.258 2.040 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000123566639 532103144 /nfs/dbraw/zinc/10/31/44/532103144.db2.gz UASITGZVOXHYPF-RISCZKNCSA-N 1 1 385.258 2.040 20 0 GEADMO CCCCN(C)S(=O)(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175666878 532111270 /nfs/dbraw/zinc/11/12/70/532111270.db2.gz ROJSDGTZPAQJBN-CALCHBBNSA-N 1 1 375.579 2.174 20 0 GEADMO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1Cl ZINC000123994046 532111328 /nfs/dbraw/zinc/11/13/28/532111328.db2.gz PXYMDEKTRCVZIF-RKDXNWHRSA-N 1 1 397.722 2.482 20 0 GEADMO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1Cl ZINC000124289554 532117814 /nfs/dbraw/zinc/11/78/14/532117814.db2.gz XCMWGNAMHUFVSK-FZMZJTMJSA-N 1 1 388.946 2.496 20 0 GEADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000124396691 532120526 /nfs/dbraw/zinc/12/05/26/532120526.db2.gz JZIWQWLFZAKAQM-OAHLLOKOSA-N 1 1 382.917 2.216 20 0 GEADMO C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000124401491 532120696 /nfs/dbraw/zinc/12/06/96/532120696.db2.gz NDYWMKMSGJKIMN-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000124401491 532120699 /nfs/dbraw/zinc/12/06/99/532120699.db2.gz NDYWMKMSGJKIMN-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000176037190 532124077 /nfs/dbraw/zinc/12/40/77/532124077.db2.gz KORJERWUYLUWFK-UHFFFAOYSA-N 1 1 398.301 2.058 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000175836970 532115763 /nfs/dbraw/zinc/11/57/63/532115763.db2.gz ZBFINOWADISEBW-GFCCVEGCSA-N 1 1 387.933 2.098 20 0 GEADMO COc1ccc(Br)c(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000175833680 532116225 /nfs/dbraw/zinc/11/62/25/532116225.db2.gz DNGAFDMGPYNKTA-CYBMUJFWSA-N 1 1 399.333 2.463 20 0 GEADMO O=S(=O)(c1cc(F)c(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124694179 532127112 /nfs/dbraw/zinc/12/71/12/532127112.db2.gz VLRCSEYNPLEPSW-DTORHVGOSA-N 1 1 381.242 2.242 20 0 GEADMO COc1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000124821847 532130471 /nfs/dbraw/zinc/13/04/71/532130471.db2.gz YGRGCXAGKPWUNM-CYBMUJFWSA-N 1 1 384.318 2.071 20 0 GEADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2cccc(Br)c2)CC1 ZINC000124828460 532130641 /nfs/dbraw/zinc/13/06/41/532130641.db2.gz ZYZISLKJUUEXNU-HNNXBMFYSA-N 1 1 382.346 2.381 20 0 GEADMO O=C(CN1CCCC1=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126895316 532151490 /nfs/dbraw/zinc/15/14/90/532151490.db2.gz VXQXEAYBBGKPLO-UHFFFAOYSA-N 1 1 394.313 2.152 20 0 GEADMO CS(=O)(=O)CC1(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000176687539 532145935 /nfs/dbraw/zinc/14/59/35/532145935.db2.gz SMFRRRZHGCRJGC-HNNXBMFYSA-N 1 1 384.567 2.291 20 0 GEADMO CS(=O)(=O)CC1(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000176687539 532145937 /nfs/dbraw/zinc/14/59/37/532145937.db2.gz SMFRRRZHGCRJGC-HNNXBMFYSA-N 1 1 384.567 2.291 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nnnn1-c1ccccc1Br ZINC000177315601 532168884 /nfs/dbraw/zinc/16/88/84/532168884.db2.gz BKIKJSWHIODBPV-KGLIPLIRSA-N 1 1 391.317 2.483 20 0 GEADMO O=C(NCCC[NH+]1CCOCC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000127708730 532157297 /nfs/dbraw/zinc/15/72/97/532157297.db2.gz IVFYCICJTPNHKM-UHFFFAOYSA-N 1 1 390.311 2.220 20 0 GEADMO C[C@H]1C[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C)C[N@H+]1C1CC1 ZINC000177072931 532160569 /nfs/dbraw/zinc/16/05/69/532160569.db2.gz AYGUHDVDFWARLX-RYUDHWBXSA-N 1 1 377.539 2.377 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000128375199 532163334 /nfs/dbraw/zinc/16/33/34/532163334.db2.gz WRZPOIPGROCOTK-QGZVFWFLSA-N 1 1 398.345 2.280 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC(C)(C)O ZINC000177729774 532181573 /nfs/dbraw/zinc/18/15/73/532181573.db2.gz SMWHSIUDYGVOJJ-SNVBAGLBSA-N 1 1 376.238 2.321 20 0 GEADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)S(=O)(=O)c1ccc(C)s1 ZINC000129758233 532183789 /nfs/dbraw/zinc/18/37/89/532183789.db2.gz VIODSRULQBXRQG-HNNXBMFYSA-N 1 1 388.555 2.485 20 0 GEADMO C[C@H](C(=O)Nc1ccc(F)cc1I)N1CC[NH+](C)CC1 ZINC000177817880 532183861 /nfs/dbraw/zinc/18/38/61/532183861.db2.gz MXBCHLGNINGRBS-SNVBAGLBSA-N 1 1 391.228 2.005 20 0 GEADMO Cc1ccc(Br)c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000129284667 532176014 /nfs/dbraw/zinc/17/60/14/532176014.db2.gz KWGHABBOQXDSHX-ZDUSSCGKSA-N 1 1 397.317 2.466 20 0 GEADMO O=c1c(Br)c(Br)cnn1Cc1cn2ccccc2[nH+]1 ZINC000131192877 532194739 /nfs/dbraw/zinc/19/47/39/532194739.db2.gz AKQUTOPAAFLQGS-UHFFFAOYSA-N 1 1 384.031 2.464 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000178350852 532199771 /nfs/dbraw/zinc/19/97/71/532199771.db2.gz PWJIGVKPJZJBAK-CQSZACIVSA-N 1 1 385.302 2.255 20 0 GEADMO Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(Br)n1 ZINC000178896893 532216827 /nfs/dbraw/zinc/21/68/27/532216827.db2.gz KXYCQBPNBGNFLY-CYBMUJFWSA-N 1 1 382.302 2.478 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)c2ccc(Br)cc2OC)CC1 ZINC000132604785 532218544 /nfs/dbraw/zinc/21/85/44/532218544.db2.gz XDTYGGTZVDYVEL-UHFFFAOYSA-N 1 1 384.318 2.215 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000131730043 532202224 /nfs/dbraw/zinc/20/22/24/532202224.db2.gz JKUAPDFGMKDFTG-DZGCQCFKSA-N 1 1 385.302 2.132 20 0 GEADMO O=C(Cc1ccc(F)c(Br)c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131715821 532202787 /nfs/dbraw/zinc/20/27/87/532202787.db2.gz NTKHXUREHYFPFP-AWEZNQCLSA-N 1 1 387.293 2.484 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000133324790 532231480 /nfs/dbraw/zinc/23/14/80/532231480.db2.gz OIDZXNVOQOYBRJ-UHFFFAOYSA-N 1 1 379.258 2.441 20 0 GEADMO CCS(=O)(=O)CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000179204259 532224604 /nfs/dbraw/zinc/22/46/04/532224604.db2.gz DQDWWFAHVDIGOW-ZBFHGGJFSA-N 1 1 387.571 2.207 20 0 GEADMO CCS(=O)(=O)CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000179204259 532224610 /nfs/dbraw/zinc/22/46/10/532224610.db2.gz DQDWWFAHVDIGOW-ZBFHGGJFSA-N 1 1 387.571 2.207 20 0 GEADMO CC(C)[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)C(=O)N1CCOCC1 ZINC000179238036 532226497 /nfs/dbraw/zinc/22/64/97/532226497.db2.gz PMDIBBPMBYXQBJ-ZYHUDNBSSA-N 1 1 376.320 2.440 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000133654687 532240397 /nfs/dbraw/zinc/24/03/97/532240397.db2.gz LSKYOMRGDGDYRQ-GASCZTMLSA-N 1 1 397.361 2.418 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179805894 532244802 /nfs/dbraw/zinc/24/48/02/532244802.db2.gz AVNINQKFQANISM-ZDUSSCGKSA-N 1 1 397.317 2.281 20 0 GEADMO NC(=O)N1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179802380 532245112 /nfs/dbraw/zinc/24/51/12/532245112.db2.gz WTJAHKIYQFMXTA-UHFFFAOYSA-N 1 1 378.274 2.221 20 0 GEADMO NC(=O)N1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179802380 532245116 /nfs/dbraw/zinc/24/51/16/532245116.db2.gz WTJAHKIYQFMXTA-UHFFFAOYSA-N 1 1 378.274 2.221 20 0 GEADMO O=S(=O)(NC1CC[NH+](Cc2cnn3ccccc23)CC1)c1cccs1 ZINC000179872800 532247992 /nfs/dbraw/zinc/24/79/92/532247992.db2.gz GULSQRXVPOJKLJ-UHFFFAOYSA-N 1 1 376.507 2.339 20 0 GEADMO C[C@H](NC(=O)NCCc1cc(Br)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000134019172 532248144 /nfs/dbraw/zinc/24/81/44/532248144.db2.gz PFVBDFQBJQINTK-XHDPSFHLSA-N 1 1 388.281 2.149 20 0 GEADMO C[C@H](NC(=O)NCCc1cc(Br)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000134019172 532248147 /nfs/dbraw/zinc/24/81/47/532248147.db2.gz PFVBDFQBJQINTK-XHDPSFHLSA-N 1 1 388.281 2.149 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000179886558 532248794 /nfs/dbraw/zinc/24/87/94/532248794.db2.gz KPHGBYSNSHUFKM-ZDUSSCGKSA-N 1 1 397.317 2.185 20 0 GEADMO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000134149875 532250618 /nfs/dbraw/zinc/25/06/18/532250618.db2.gz ZABFDFBXRFPJHM-ZDUSSCGKSA-N 1 1 382.302 2.496 20 0 GEADMO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000179587110 532237049 /nfs/dbraw/zinc/23/70/49/532237049.db2.gz QHAGYJCZGTZPQS-UHFFFAOYSA-N 1 1 393.228 2.341 20 0 GEADMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000179587110 532237050 /nfs/dbraw/zinc/23/70/50/532237050.db2.gz QHAGYJCZGTZPQS-UHFFFAOYSA-N 1 1 393.228 2.341 20 0 GEADMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000134348626 532255181 /nfs/dbraw/zinc/25/51/81/532255181.db2.gz QKWXUTGMIYUHDK-CYBMUJFWSA-N 1 1 380.432 2.486 20 0 GEADMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000134348626 532255185 /nfs/dbraw/zinc/25/51/85/532255185.db2.gz QKWXUTGMIYUHDK-CYBMUJFWSA-N 1 1 380.432 2.486 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134420650 532256570 /nfs/dbraw/zinc/25/65/70/532256570.db2.gz DGANPHIUBNJOAQ-UHFFFAOYSA-N 1 1 380.290 2.492 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000135381775 532272246 /nfs/dbraw/zinc/27/22/46/532272246.db2.gz HPLZXTIBWAPDJT-XHDPSFHLSA-N 1 1 399.285 2.022 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000180378766 532269428 /nfs/dbraw/zinc/26/94/28/532269428.db2.gz SCXNKEWOVULHPQ-LLVKDONJSA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000180378766 532269430 /nfs/dbraw/zinc/26/94/30/532269430.db2.gz SCXNKEWOVULHPQ-LLVKDONJSA-N 1 1 387.249 2.298 20 0 GEADMO COc1ccc(Br)c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000180627703 532276231 /nfs/dbraw/zinc/27/62/31/532276231.db2.gz LRFWKYYKCGFPPC-UHFFFAOYSA-N 1 1 391.331 2.314 20 0 GEADMO COc1sc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000180627051 532276865 /nfs/dbraw/zinc/27/68/65/532276865.db2.gz CGDXTZOZQKNEEU-UHFFFAOYSA-N 1 1 397.360 2.375 20 0 GEADMO O=C(CN1CC[NH+](CC2=CCCOC2)CC1)Nc1ccc(Br)cc1 ZINC000180737200 532279937 /nfs/dbraw/zinc/27/99/37/532279937.db2.gz WWUVNDYUNNJPAK-UHFFFAOYSA-N 1 1 394.313 2.352 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C)cc2Br)[C@H](C)C1 ZINC000180828442 532282189 /nfs/dbraw/zinc/28/21/89/532282189.db2.gz VJHRJJSJSJFKPE-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C)cc2Br)[C@H](C)C1 ZINC000180828442 532282193 /nfs/dbraw/zinc/28/21/93/532282193.db2.gz VJHRJJSJSJFKPE-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO C[N@H+](CCC(=O)NC1CCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181063533 532289626 /nfs/dbraw/zinc/28/96/26/532289626.db2.gz LICZDBMRJXZNII-MRXNPFEDSA-N 1 1 382.302 2.356 20 0 GEADMO C[N@@H+](CCC(=O)NC1CCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181063533 532289630 /nfs/dbraw/zinc/28/96/30/532289630.db2.gz LICZDBMRJXZNII-MRXNPFEDSA-N 1 1 382.302 2.356 20 0 GEADMO Cn1cc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc(Br)c1=O ZINC000136660435 532286150 /nfs/dbraw/zinc/28/61/50/532286150.db2.gz JIWSFDUKZPDKFW-LBPRGKRZSA-N 1 1 383.246 2.165 20 0 GEADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000140992081 532294861 /nfs/dbraw/zinc/29/48/61/532294861.db2.gz TXMIINQLPPTJPY-UHFFFAOYSA-N 1 1 377.286 2.449 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181343113 532295623 /nfs/dbraw/zinc/29/56/23/532295623.db2.gz ZJASOXHBAKNGBA-MLGOLLRUSA-N 1 1 393.285 2.123 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000181333353 532295786 /nfs/dbraw/zinc/29/57/86/532295786.db2.gz IXBXTIFRFLVJTF-LBPRGKRZSA-N 1 1 395.257 2.103 20 0 GEADMO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000181400350 532298065 /nfs/dbraw/zinc/29/80/65/532298065.db2.gz GBIBEDKXVJYDFA-SMDDNHRTSA-N 1 1 388.249 2.465 20 0 GEADMO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000181400350 532298070 /nfs/dbraw/zinc/29/80/70/532298070.db2.gz GBIBEDKXVJYDFA-SMDDNHRTSA-N 1 1 388.249 2.465 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CSc2cccc(Br)c2)cn1 ZINC000181449537 532299691 /nfs/dbraw/zinc/29/96/91/532299691.db2.gz WKBFYSBXWSKYAB-OAHLLOKOSA-N 1 1 395.326 2.448 20 0 GEADMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181751035 532306079 /nfs/dbraw/zinc/30/60/79/532306079.db2.gz LQUJWFASQLFRHK-KOLCDFICSA-N 1 1 396.207 2.418 20 0 GEADMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000151158567 532307851 /nfs/dbraw/zinc/30/78/51/532307851.db2.gz CFPNREJSQPBGFI-UHFFFAOYSA-N 1 1 394.278 2.008 20 0 GEADMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000151158567 532307852 /nfs/dbraw/zinc/30/78/52/532307852.db2.gz CFPNREJSQPBGFI-UHFFFAOYSA-N 1 1 394.278 2.008 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151206216 532308055 /nfs/dbraw/zinc/30/80/55/532308055.db2.gz NFZLCRVBTOJPSX-GHMZBOCLSA-N 1 1 388.331 2.182 20 0 GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)c1 ZINC000181945354 532308192 /nfs/dbraw/zinc/30/81/92/532308192.db2.gz RPLJFCMGANYUMI-SNVBAGLBSA-N 1 1 376.404 2.198 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CC1 ZINC000183523236 532325658 /nfs/dbraw/zinc/32/56/58/532325658.db2.gz GIACICZPZWBBKU-UHFFFAOYSA-N 1 1 375.803 2.480 20 0 GEADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCCc2ccccc2Br)C1 ZINC000182345559 532312093 /nfs/dbraw/zinc/31/20/93/532312093.db2.gz UJOFKZSHACTKEQ-AWEZNQCLSA-N 1 1 375.332 2.395 20 0 GEADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC000182345559 532312095 /nfs/dbraw/zinc/31/20/95/532312095.db2.gz UJOFKZSHACTKEQ-AWEZNQCLSA-N 1 1 375.332 2.395 20 0 GEADMO Cc1cc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)cnc1Br ZINC000182450660 532313370 /nfs/dbraw/zinc/31/33/70/532313370.db2.gz HXZSNCQVIDZEQY-UHFFFAOYSA-N 1 1 384.322 2.300 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000182651951 532316128 /nfs/dbraw/zinc/31/61/28/532316128.db2.gz LKTURIWRBBWWHC-ZJUUUORDSA-N 1 1 378.288 2.304 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cnc1Br ZINC000182673924 532316429 /nfs/dbraw/zinc/31/64/29/532316429.db2.gz LHURZPNQSGLTDF-CYBMUJFWSA-N 1 1 397.317 2.472 20 0 GEADMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cnc1Br ZINC000182767181 532317382 /nfs/dbraw/zinc/31/73/82/532317382.db2.gz HMXZORSEQIQQPM-CYBMUJFWSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182792846 532317750 /nfs/dbraw/zinc/31/77/50/532317750.db2.gz KXOZYTHAPNXCGL-UHFFFAOYSA-N 1 1 394.273 2.193 20 0 GEADMO CN(CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000182959976 532320100 /nfs/dbraw/zinc/32/01/00/532320100.db2.gz UCXGBSZVKXMGJQ-UHFFFAOYSA-N 1 1 384.318 2.247 20 0 GEADMO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1Br ZINC000183109023 532321479 /nfs/dbraw/zinc/32/14/79/532321479.db2.gz YPOURTPXPCLLCZ-CYBMUJFWSA-N 1 1 398.301 2.037 20 0 GEADMO C[C@@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000183219064 532322277 /nfs/dbraw/zinc/32/22/77/532322277.db2.gz KANCEPFSMWANEG-QJPTWQEYSA-N 1 1 388.249 2.321 20 0 GEADMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(c3ccc(Cl)cc3)CC2)cn1 ZINC000185797642 532338711 /nfs/dbraw/zinc/33/87/11/532338711.db2.gz ISEOZTGGTOLTOE-UHFFFAOYSA-N 1 1 382.917 2.231 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000187247254 532343705 /nfs/dbraw/zinc/34/37/05/532343705.db2.gz RXTSAMNNSQOQID-UHFFFAOYSA-N 1 1 386.334 2.340 20 0 GEADMO C[C@@H](CNS(=O)(=O)c1cc(Br)cc2c1OCC2)[N@@H+](C)C1CC1 ZINC000185953683 532339374 /nfs/dbraw/zinc/33/93/74/532339374.db2.gz NNGISHSAPPBAQL-JTQLQIEISA-N 1 1 389.315 2.145 20 0 GEADMO CN(CCC[NH+](C)C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000186277740 532340428 /nfs/dbraw/zinc/34/04/28/532340428.db2.gz XXQZSSWFSTWVCE-UHFFFAOYSA-N 1 1 395.305 2.327 20 0 GEADMO CN(CCC[NH+](C)C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000186277740 532340429 /nfs/dbraw/zinc/34/04/29/532340429.db2.gz XXQZSSWFSTWVCE-UHFFFAOYSA-N 1 1 395.305 2.327 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186459587 532340832 /nfs/dbraw/zinc/34/08/32/532340832.db2.gz ZCGPEZCYMKWLAR-DGCLKSJQSA-N 1 1 378.416 2.224 20 0 GEADMO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000186585693 532341294 /nfs/dbraw/zinc/34/12/94/532341294.db2.gz SDAGUJKWTSIUMR-UHFFFAOYSA-N 1 1 384.299 2.384 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)s1 ZINC000186909530 532342439 /nfs/dbraw/zinc/34/24/39/532342439.db2.gz CXIIQNKPEXAVGH-NSHDSACASA-N 1 1 375.332 2.357 20 0 GEADMO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC3(CC3)C2)ccc1Cl ZINC000186962306 532342800 /nfs/dbraw/zinc/34/28/00/532342800.db2.gz XGJZSFSZIGDDBJ-UHFFFAOYSA-N 1 1 385.917 2.405 20 0 GEADMO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC3(CC3)C2)ccc1Cl ZINC000186962306 532342801 /nfs/dbraw/zinc/34/28/01/532342801.db2.gz XGJZSFSZIGDDBJ-UHFFFAOYSA-N 1 1 385.917 2.405 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cc1ccc(F)cc1Br ZINC000187095184 532343068 /nfs/dbraw/zinc/34/30/68/532343068.db2.gz ZRZVGNJOJPAYNE-ZDUSSCGKSA-N 1 1 386.309 2.273 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000183641620 532326919 /nfs/dbraw/zinc/32/69/19/532326919.db2.gz NLEHSEDLYDSYFH-VIFPVBQESA-N 1 1 395.294 2.358 20 0 GEADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000183671035 532327590 /nfs/dbraw/zinc/32/75/90/532327590.db2.gz LKZCFMPAZVOORT-MNOVXSKESA-N 1 1 396.285 2.335 20 0 GEADMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)NC(=O)Nc1ccccc1 ZINC000183909762 532329834 /nfs/dbraw/zinc/32/98/34/532329834.db2.gz APOYIDDYZJVPGI-HNNXBMFYSA-N 1 1 392.253 2.420 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)COc1ccc2ccccc2c1Br ZINC000183959466 532330508 /nfs/dbraw/zinc/33/05/08/532330508.db2.gz SVESTYBAQIMOAF-UHFFFAOYSA-N 1 1 395.297 2.412 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000184301054 532331587 /nfs/dbraw/zinc/33/15/87/532331587.db2.gz WXDBAYQOUUFJHE-LLVKDONJSA-N 1 1 390.272 2.483 20 0 GEADMO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184961338 532336030 /nfs/dbraw/zinc/33/60/30/532336030.db2.gz FAGWRHJEBGDOHG-MRXNPFEDSA-N 1 1 378.897 2.306 20 0 GEADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187825213 532345746 /nfs/dbraw/zinc/34/57/46/532345746.db2.gz XGQQKBMBOGRZDO-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000187825213 532345747 /nfs/dbraw/zinc/34/57/47/532345747.db2.gz XGQQKBMBOGRZDO-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960043 532346166 /nfs/dbraw/zinc/34/61/66/532346166.db2.gz IDKBENVKXHUAOQ-MLGOLLRUSA-N 1 1 380.290 2.408 20 0 GEADMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000187960043 532346167 /nfs/dbraw/zinc/34/61/67/532346167.db2.gz IDKBENVKXHUAOQ-MLGOLLRUSA-N 1 1 380.290 2.408 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000188076782 532346551 /nfs/dbraw/zinc/34/65/51/532346551.db2.gz NMPGLLMYFBTSMR-UHFFFAOYSA-N 1 1 386.265 2.388 20 0 GEADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000188260481 532347728 /nfs/dbraw/zinc/34/77/28/532347728.db2.gz JZGNAJPVTUJYLL-AWEZNQCLSA-N 1 1 397.313 2.396 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000188638424 532348892 /nfs/dbraw/zinc/34/88/92/532348892.db2.gz ZDHFZKPGOBRUPH-LLVKDONJSA-N 1 1 387.322 2.213 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[N@H+]1CC(C)(C)O ZINC000188659648 532348964 /nfs/dbraw/zinc/34/89/64/532348964.db2.gz YNQMADMBZFRIQQ-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188665938 532348994 /nfs/dbraw/zinc/34/89/94/532348994.db2.gz JSSAMSVAVGYSJK-AWEZNQCLSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000189340294 532351776 /nfs/dbraw/zinc/35/17/76/532351776.db2.gz WSSIQIAKIXFUQF-SNVBAGLBSA-N 1 1 387.303 2.059 20 0 GEADMO COc1cc(/C=C/C(=O)NCC[N@H+]2CCCOCC2)cc(Br)c1O ZINC000189405275 532352044 /nfs/dbraw/zinc/35/20/44/532352044.db2.gz HXTIUFCRVDZWRT-ONEGZZNKSA-N 1 1 399.285 2.015 20 0 GEADMO C[N@H+](Cc1ccc(Br)c(Cl)c1)C[C@H](O)CN1CCOCC1 ZINC000189527939 532352515 /nfs/dbraw/zinc/35/25/15/532352515.db2.gz PIMXVQIIXWAUBN-ZDUSSCGKSA-N 1 1 377.710 2.227 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000189561494 532352710 /nfs/dbraw/zinc/35/27/10/532352710.db2.gz ZLUSOXRGAOXUTL-QWHCGFSZSA-N 1 1 385.302 2.107 20 0 GEADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCOCC(F)F)C2)cc1 ZINC000189645525 532353180 /nfs/dbraw/zinc/35/31/80/532353180.db2.gz YGEKKPCLOSPKIL-OAHLLOKOSA-N 1 1 376.469 2.267 20 0 GEADMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccccc1I)C1CC1 ZINC000189961738 532354202 /nfs/dbraw/zinc/35/42/02/532354202.db2.gz BCIIOXRVVKCBSI-UHFFFAOYSA-N 1 1 388.249 2.465 20 0 GEADMO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190243265 532355386 /nfs/dbraw/zinc/35/53/86/532355386.db2.gz UEIJKUITEGMRBH-SCRDCRAPSA-N 1 1 388.555 2.488 20 0 GEADMO C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@H+]1CCO ZINC000190250074 532355516 /nfs/dbraw/zinc/35/55/16/532355516.db2.gz CLFJPCOKJPLPLE-CQSZACIVSA-N 1 1 379.302 2.133 20 0 GEADMO CCc1cnc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000190324372 532355552 /nfs/dbraw/zinc/35/55/52/532355552.db2.gz CIMPNMQFLVGNBV-LLVKDONJSA-N 1 1 378.523 2.269 20 0 GEADMO CCc1cnc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000190324372 532355553 /nfs/dbraw/zinc/35/55/53/532355553.db2.gz CIMPNMQFLVGNBV-LLVKDONJSA-N 1 1 378.523 2.269 20 0 GEADMO C[C@H](CNC(=O)C1(c2ccccc2Br)CC1)CN1CC[NH+](C)CC1 ZINC000190381507 532355837 /nfs/dbraw/zinc/35/58/37/532355837.db2.gz RSGFANZRBCJBDX-OAHLLOKOSA-N 1 1 394.357 2.480 20 0 GEADMO C[N@H+]1CCCN(C(=O)c2nc(Br)ccc2Br)CC1 ZINC000190428277 532355949 /nfs/dbraw/zinc/35/59/49/532355949.db2.gz BLMGQBNZFRHFJR-UHFFFAOYSA-N 1 1 377.080 2.384 20 0 GEADMO COC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510619 532356560 /nfs/dbraw/zinc/35/65/60/532356560.db2.gz BCMKZEOBAQCLBG-GJZGRUSLSA-N 1 1 388.302 2.446 20 0 GEADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)nn1 ZINC000190844708 532358351 /nfs/dbraw/zinc/35/83/51/532358351.db2.gz QJGLAEVNUYOKQC-UHFFFAOYSA-N 1 1 380.290 2.315 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190837223 532358355 /nfs/dbraw/zinc/35/83/55/532358355.db2.gz ZLAFJSVJBJIKFV-UHFFFAOYSA-N 1 1 378.217 2.122 20 0 GEADMO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191077008 532359538 /nfs/dbraw/zinc/35/95/38/532359538.db2.gz CDWAQQJDCSTKLX-UHFFFAOYSA-N 1 1 393.278 2.066 20 0 GEADMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2cc(Br)ccc2n1 ZINC000187277346 532343894 /nfs/dbraw/zinc/34/38/94/532343894.db2.gz OOOQBKFSXIDSRF-ZDUSSCGKSA-N 1 1 392.297 2.444 20 0 GEADMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2cc(Br)ccc2n1 ZINC000187277346 532343895 /nfs/dbraw/zinc/34/38/95/532343895.db2.gz OOOQBKFSXIDSRF-ZDUSSCGKSA-N 1 1 392.297 2.444 20 0 GEADMO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)CC2 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/nfs/dbraw/zinc/40/09/44/532400944.db2.gz XUYSOFSLZXAVCE-OAHLLOKOSA-N 1 1 396.292 2.079 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000624611404 532399205 /nfs/dbraw/zinc/39/92/05/532399205.db2.gz QSJZIRKRBFDFRN-IUODEOHRSA-N 1 1 397.317 2.007 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279913202 532403187 /nfs/dbraw/zinc/40/31/87/532403187.db2.gz FSGFBXDUTWPYAV-NSHDSACASA-N 1 1 386.315 2.007 20 0 GEADMO C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295103158 532403638 /nfs/dbraw/zinc/40/36/38/532403638.db2.gz KQNUYIYFTAWAHT-ZBFHGGJFSA-N 1 1 383.286 2.125 20 0 GEADMO Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc(Br)c1=O ZINC000372691175 532401988 /nfs/dbraw/zinc/40/19/88/532401988.db2.gz BILBWEAIVWYRGK-HNNXBMFYSA-N 1 1 391.269 2.146 20 0 GEADMO Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc(Br)c1=O ZINC000372691175 532401991 /nfs/dbraw/zinc/40/19/91/532401991.db2.gz BILBWEAIVWYRGK-HNNXBMFYSA-N 1 1 391.269 2.146 20 0 GEADMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H](CS(C)(=O)=O)C2CC2)cc1 ZINC000559753983 532405231 /nfs/dbraw/zinc/40/52/31/532405231.db2.gz SDJDXRUOELFJDL-KRWDZBQOSA-N 1 1 387.567 2.171 20 0 GEADMO O=C(NCC[NH2+]Cc1c(F)ccc(I)c1F)C1CC1 ZINC000280053351 532405527 /nfs/dbraw/zinc/40/55/27/532405527.db2.gz WFRIGEZVGVJEFQ-UHFFFAOYSA-N 1 1 380.176 2.185 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]2C1 ZINC000192537626 532405612 /nfs/dbraw/zinc/40/56/12/532405612.db2.gz WMHQRRLWMLPWNW-MBNYWOFBSA-N 1 1 382.291 2.366 20 0 GEADMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000625039095 532406293 /nfs/dbraw/zinc/40/62/93/532406293.db2.gz NYVDBVJQFWXOBB-UHFFFAOYSA-N 1 1 387.933 2.259 20 0 GEADMO C[N@@H+](CC(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F)[C@H]1CCSC1 ZINC000679693617 532406630 /nfs/dbraw/zinc/40/66/30/532406630.db2.gz TVTOQGZQLUNGGH-GJZGRUSLSA-N 1 1 376.444 2.376 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464802468 532406659 /nfs/dbraw/zinc/40/66/59/532406659.db2.gz RGWFIAVKHMIIBS-PXAZEXFGSA-N 1 1 380.286 2.378 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464802468 532406666 /nfs/dbraw/zinc/40/66/66/532406666.db2.gz RGWFIAVKHMIIBS-PXAZEXFGSA-N 1 1 380.286 2.378 20 0 GEADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280252856 532410679 /nfs/dbraw/zinc/41/06/79/532410679.db2.gz BQSDNVQTGLJHIW-DOMZBBRYSA-N 1 1 398.301 2.439 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Br)cc1-n1cncn1 ZINC000280230261 532409091 /nfs/dbraw/zinc/40/90/91/532409091.db2.gz MBNCQRZFRZATAI-UHFFFAOYSA-N 1 1 376.258 2.022 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192988346 532414541 /nfs/dbraw/zinc/41/45/41/532414541.db2.gz YXVQZOJDRQYSTI-OAHLLOKOSA-N 1 1 382.917 2.182 20 0 GEADMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NCC(=O)Nc1ccccc1Br ZINC000372854624 532414775 /nfs/dbraw/zinc/41/47/75/532414775.db2.gz CWDGSQXPFDRAGI-ZDUSSCGKSA-N 1 1 380.286 2.236 20 0 GEADMO C[N@H+]1C[C@@H](CNC(=O)CCn2cc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000649101265 532413341 /nfs/dbraw/zinc/41/33/41/532413341.db2.gz SBCVMPWRBBKNKN-WBVHZDCISA-N 1 1 391.313 2.497 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000192821255 532413363 /nfs/dbraw/zinc/41/33/63/532413363.db2.gz ZWVDXJJRLBOYSW-GUTXKFCHSA-N 1 1 377.312 2.120 20 0 GEADMO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000192820263 532413454 /nfs/dbraw/zinc/41/34/54/532413454.db2.gz CIFBZWGSEMTXSZ-YPMHNXCESA-N 1 1 376.906 2.318 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000517410817 532416753 /nfs/dbraw/zinc/41/67/53/532416753.db2.gz OBWAPJHEIYWGKK-XOKHGSTOSA-N 1 1 395.345 2.240 20 0 GEADMO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000192969393 532416022 /nfs/dbraw/zinc/41/60/22/532416022.db2.gz YVVPEUQBRQWJBN-NSHDSACASA-N 1 1 386.265 2.293 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Br)c(F)cc1F ZINC000372889879 532417275 /nfs/dbraw/zinc/41/72/75/532417275.db2.gz GVNGBWNDRRTKFG-NXEZZACHSA-N 1 1 375.213 2.320 20 0 GEADMO COCCO[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625358229 532420932 /nfs/dbraw/zinc/42/09/32/532420932.db2.gz LJJBRCMUYVXCQP-GOEBONIOSA-N 1 1 383.286 2.440 20 0 GEADMO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@@H]1CCCS(=O)(=O)C1 ZINC000295218864 532421104 /nfs/dbraw/zinc/42/11/04/532421104.db2.gz AUHSLIYVMWYLRP-WFASDCNBSA-N 1 1 376.316 2.239 20 0 GEADMO O=C1[C@H]([NH2+]Cc2csc(Cl)c2Cl)CCCN1CCN1CCOCC1 ZINC000372914719 532419119 /nfs/dbraw/zinc/41/91/19/532419119.db2.gz APOCUQZVJFSDSL-CYBMUJFWSA-N 1 1 392.352 2.468 20 0 GEADMO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@@H]1CCCS(=O)(=O)C1 ZINC000295218864 532421110 /nfs/dbraw/zinc/42/11/10/532421110.db2.gz AUHSLIYVMWYLRP-WFASDCNBSA-N 1 1 376.316 2.239 20 0 GEADMO CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000465923555 532421180 /nfs/dbraw/zinc/42/11/80/532421180.db2.gz MBHNQQLGBBVLIT-WBMJQRKESA-N 1 1 375.922 2.235 20 0 GEADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(CS(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000517643798 532422596 /nfs/dbraw/zinc/42/25/96/532422596.db2.gz OKAQQWWLZQUXHR-MRXNPFEDSA-N 1 1 381.885 2.370 20 0 GEADMO CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000625365703 532421321 /nfs/dbraw/zinc/42/13/21/532421321.db2.gz IOKWFSYVJPGXKS-UHFFFAOYSA-N 1 1 377.432 2.183 20 0 GEADMO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@H]1CCCS(=O)(=O)C1 ZINC000295218858 532421407 /nfs/dbraw/zinc/42/14/07/532421407.db2.gz AUHSLIYVMWYLRP-DOMZBBRYSA-N 1 1 376.316 2.239 20 0 GEADMO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H]1CCCS(=O)(=O)C1 ZINC000295218858 532421411 /nfs/dbraw/zinc/42/14/11/532421411.db2.gz AUHSLIYVMWYLRP-DOMZBBRYSA-N 1 1 376.316 2.239 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000465854233 532422080 /nfs/dbraw/zinc/42/20/80/532422080.db2.gz GUBMWMMHFHIRLF-CYBMUJFWSA-N 1 1 388.306 2.094 20 0 GEADMO Cc1c(Br)cc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(=O)n1C ZINC000372973680 532422196 /nfs/dbraw/zinc/42/21/96/532422196.db2.gz BCRXVVUEEWJINC-INIZCTEOSA-N 1 1 390.281 2.373 20 0 GEADMO Cc1c(Br)cc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(=O)n1C ZINC000372973680 532422202 /nfs/dbraw/zinc/42/22/02/532422202.db2.gz BCRXVVUEEWJINC-INIZCTEOSA-N 1 1 390.281 2.373 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000625420933 532426164 /nfs/dbraw/zinc/42/61/64/532426164.db2.gz JNOBPDFRHVMKTI-LBPRGKRZSA-N 1 1 381.420 2.033 20 0 GEADMO O=C(C[N@H+]1CCCN(c2ncc(Br)cc2F)CC1)N1CCCC1 ZINC000681252292 532425044 /nfs/dbraw/zinc/42/50/44/532425044.db2.gz HBIKAUZLNDXKIB-UHFFFAOYSA-N 1 1 385.281 2.118 20 0 GEADMO O=C(C[N@@H+]1CCCN(c2ncc(Br)cc2F)CC1)N1CCCC1 ZINC000681252292 532425050 /nfs/dbraw/zinc/42/50/50/532425050.db2.gz HBIKAUZLNDXKIB-UHFFFAOYSA-N 1 1 385.281 2.118 20 0 GEADMO Cc1nc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)sc1Br ZINC000625419993 532425896 /nfs/dbraw/zinc/42/58/96/532425896.db2.gz BTFNJXVTRUUKNH-JTQLQIEISA-N 1 1 382.349 2.224 20 0 GEADMO Cc1nc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)sc1Br ZINC000625419993 532425903 /nfs/dbraw/zinc/42/59/03/532425903.db2.gz BTFNJXVTRUUKNH-JTQLQIEISA-N 1 1 382.349 2.224 20 0 GEADMO CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000373020655 532426931 /nfs/dbraw/zinc/42/69/31/532426931.db2.gz QGUJAXVQLVARBJ-OAHLLOKOSA-N 1 1 385.555 2.070 20 0 GEADMO C[NH+]1CCN(C(=O)CCNC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000193538317 532426307 /nfs/dbraw/zinc/42/63/07/532426307.db2.gz GHKNINOTZSMRCV-UHFFFAOYSA-N 1 1 390.336 2.366 20 0 GEADMO CC(=O)N1CCN(C(=O)C[N@@H+](Cc2cccc(Br)c2)C(C)C)CC1 ZINC000517857797 532428261 /nfs/dbraw/zinc/42/82/61/532428261.db2.gz URAMHVIJNKRJQN-UHFFFAOYSA-N 1 1 396.329 2.350 20 0 GEADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[N@H+]1C ZINC000427593874 532427739 /nfs/dbraw/zinc/42/77/39/532427739.db2.gz VYPKNEXSRORRDV-WCBMZHEXSA-N 1 1 390.228 2.265 20 0 GEADMO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000295266263 532427759 /nfs/dbraw/zinc/42/77/59/532427759.db2.gz RUBKYFNHFBPNSQ-CYBMUJFWSA-N 1 1 376.400 2.349 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000681385653 532429685 /nfs/dbraw/zinc/42/96/85/532429685.db2.gz PUODWLPYUBBIGW-UHFFFAOYSA-N 1 1 399.308 2.364 20 0 GEADMO C[C@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)CC[N@H+](C2CC2)C1 ZINC000295285092 532431258 /nfs/dbraw/zinc/43/12/58/532431258.db2.gz ICKTYRPQNQJHLX-GFCCVEGCSA-N 1 1 377.539 2.238 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)CC[N@@H+]1CCO ZINC000466654534 532431598 /nfs/dbraw/zinc/43/15/98/532431598.db2.gz BLJIBDLONRUXIW-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)CC[N@H+]1CCO ZINC000466654534 532431602 /nfs/dbraw/zinc/43/16/02/532431602.db2.gz BLJIBDLONRUXIW-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)NCC(=O)Nc1ccccc1Br ZINC000681712544 532435425 /nfs/dbraw/zinc/43/54/25/532435425.db2.gz ZUSPBAOFQKQBPB-SWLSCSKDSA-N 1 1 380.286 2.378 20 0 GEADMO Cc1ccc(S(=O)(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000681695488 532436276 /nfs/dbraw/zinc/43/62/76/532436276.db2.gz FMLSKKVCZQCWRK-GOSISDBHSA-N 1 1 380.535 2.314 20 0 GEADMO COC1(CO)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000373179403 532436882 /nfs/dbraw/zinc/43/68/82/532436882.db2.gz KRSGWCJKKOJMHU-HNNXBMFYSA-N 1 1 383.286 2.028 20 0 GEADMO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295302249 532432835 /nfs/dbraw/zinc/43/28/35/532432835.db2.gz FJQJXECDIKRVEH-CVEARBPZSA-N 1 1 382.302 2.183 20 0 GEADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000281799418 532434094 /nfs/dbraw/zinc/43/40/94/532434094.db2.gz VHWBANLBZPIPSW-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000281799418 532434098 /nfs/dbraw/zinc/43/40/98/532434098.db2.gz VHWBANLBZPIPSW-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO C[C@@H]1CN(C(=O)C[N@H+](C)C[C@H](O)c2ccccc2Br)C[C@@H](C)O1 ZINC000295320314 532434275 /nfs/dbraw/zinc/43/42/75/532434275.db2.gz MBFGNCBKPJYHHO-IOASZLSFSA-N 1 1 385.302 2.050 20 0 GEADMO C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@H](O)c2ccccc2Br)C[C@@H](C)O1 ZINC000295320314 532434279 /nfs/dbraw/zinc/43/42/79/532434279.db2.gz MBFGNCBKPJYHHO-IOASZLSFSA-N 1 1 385.302 2.050 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000626167501 532435089 /nfs/dbraw/zinc/43/50/89/532435089.db2.gz XDLXMHONBLBGPO-LBPRGKRZSA-N 1 1 391.331 2.219 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2Br)C1 ZINC000626167501 532435094 /nfs/dbraw/zinc/43/50/94/532435094.db2.gz XDLXMHONBLBGPO-LBPRGKRZSA-N 1 1 391.331 2.219 20 0 GEADMO Cc1cccc(CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1Br ZINC000626495237 532437407 /nfs/dbraw/zinc/43/74/07/532437407.db2.gz QDMIPPZMEWMRQY-OAHLLOKOSA-N 1 1 382.346 2.442 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000650138024 532439337 /nfs/dbraw/zinc/43/93/37/532439337.db2.gz FMWRTEIIISCNHW-YOEHRIQHSA-N 1 1 390.281 2.341 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCSC2)cc1Br ZINC000467237143 532442512 /nfs/dbraw/zinc/44/25/12/532442512.db2.gz UGWWZHRKIRLHGO-LBPRGKRZSA-N 1 1 386.315 2.071 20 0 GEADMO C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1cn[nH]c1 ZINC000467226099 532442803 /nfs/dbraw/zinc/44/28/03/532442803.db2.gz AXCUXIJAQAPCEO-SNVBAGLBSA-N 1 1 394.273 2.050 20 0 GEADMO CCOCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295387799 532442933 /nfs/dbraw/zinc/44/29/33/532442933.db2.gz RFYAVUVMYFQORM-CJNGLKHVSA-N 1 1 387.318 2.346 20 0 GEADMO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000295387799 532442938 /nfs/dbraw/zinc/44/29/38/532442938.db2.gz RFYAVUVMYFQORM-CJNGLKHVSA-N 1 1 387.318 2.346 20 0 GEADMO NC(=O)NC(=O)CCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467298901 532443496 /nfs/dbraw/zinc/44/34/96/532443496.db2.gz GZBZTOGQXCVNMX-UHFFFAOYSA-N 1 1 398.301 2.405 20 0 GEADMO CN1CC[NH+](C[C@H]2CCCN(S(=O)(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000373324037 532441731 /nfs/dbraw/zinc/44/17/31/532441731.db2.gz IBKJSBQKTGFGAA-CQSZACIVSA-N 1 1 389.924 2.127 20 0 GEADMO CC1(C)CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[N@H+]1CCO ZINC000682166181 532441784 /nfs/dbraw/zinc/44/17/84/532441784.db2.gz BSKGQVPHEVASIX-UHFFFAOYSA-N 1 1 384.311 2.463 20 0 GEADMO Cc1noc(CCC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000682436207 532447045 /nfs/dbraw/zinc/44/70/45/532447045.db2.gz LYMQIFRVYUVBDL-UHFFFAOYSA-N 1 1 376.408 2.393 20 0 GEADMO CSc1cc(Br)ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627270239 532449171 /nfs/dbraw/zinc/44/91/71/532449171.db2.gz DWVLNLVBRGVKRP-QWHCGFSZSA-N 1 1 385.327 2.452 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627266954 532448545 /nfs/dbraw/zinc/44/85/45/532448545.db2.gz HZJYZXTYWIBJEC-STQMWFEESA-N 1 1 383.286 2.047 20 0 GEADMO CNC(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000373422590 532448699 /nfs/dbraw/zinc/44/86/99/532448699.db2.gz OLXBXBSKRNZJGU-MRXNPFEDSA-N 1 1 394.313 2.321 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627266951 532448700 /nfs/dbraw/zinc/44/87/00/532448700.db2.gz HZJYZXTYWIBJEC-CHWSQXEVSA-N 1 1 383.286 2.047 20 0 GEADMO COC(=O)[C@]12C[N@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C[C@H]1COCC2 ZINC000373480750 532451997 /nfs/dbraw/zinc/45/19/97/532451997.db2.gz CGXPAGOIDXNPTB-LKFCYVNXSA-N 1 1 381.782 2.104 20 0 GEADMO COC(=O)[C@]12C[N@@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C[C@H]1COCC2 ZINC000373480750 532452004 /nfs/dbraw/zinc/45/20/04/532452004.db2.gz CGXPAGOIDXNPTB-LKFCYVNXSA-N 1 1 381.782 2.104 20 0 GEADMO O=C(N[C@H]1CCC[NH2+]CC1)c1n[nH]c2ccc(I)cc21 ZINC000592329191 532449274 /nfs/dbraw/zinc/44/92/74/532449274.db2.gz PDMDMGUYAACSAT-JTQLQIEISA-N 1 1 384.221 2.039 20 0 GEADMO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627271010 532449338 /nfs/dbraw/zinc/44/93/38/532449338.db2.gz PPQLFMNMWXODMC-CHWSQXEVSA-N 1 1 383.286 2.047 20 0 GEADMO O=C(c1cc2c(Br)cccc2cn1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627267624 532449499 /nfs/dbraw/zinc/44/94/99/532449499.db2.gz QEMMXPXAJAVOFY-ZIAGYGMSSA-N 1 1 390.281 2.278 20 0 GEADMO C[N@@H+](Cc1cccc(I)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000518947897 532450275 /nfs/dbraw/zinc/45/02/75/532450275.db2.gz RKYHFUGDUCXOMP-GFCCVEGCSA-N 1 1 379.263 2.158 20 0 GEADMO C[N@H+](Cc1cccc(I)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000518947897 532450279 /nfs/dbraw/zinc/45/02/79/532450279.db2.gz RKYHFUGDUCXOMP-GFCCVEGCSA-N 1 1 379.263 2.158 20 0 GEADMO CSc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1Br ZINC000627293422 532450331 /nfs/dbraw/zinc/45/03/31/532450331.db2.gz TUERSXMIEPDEBR-UHFFFAOYSA-N 1 1 397.298 2.431 20 0 GEADMO O=C(NC1(Cc2ccccc2Br)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000561761515 532451015 /nfs/dbraw/zinc/45/10/15/532451015.db2.gz LVSGFGBVGQUHOF-INIZCTEOSA-N 1 1 378.314 2.030 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000518972941 532451113 /nfs/dbraw/zinc/45/11/13/532451113.db2.gz UAHLFNVGHKXVBN-CQSZACIVSA-N 1 1 389.327 2.307 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1(c2ccccc2Br)CCC1 ZINC000650865847 532456772 /nfs/dbraw/zinc/45/67/72/532456772.db2.gz UUBHSYZRVMOXOP-CQSZACIVSA-N 1 1 395.345 2.373 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295548292 532457288 /nfs/dbraw/zinc/45/72/88/532457288.db2.gz WVFGUKUSEBCFCM-HOTGVXAUSA-N 1 1 382.302 2.183 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282286367 532454462 /nfs/dbraw/zinc/45/44/62/532454462.db2.gz VYXXAXLIWOCYSH-CQSZACIVSA-N 1 1 386.290 2.150 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ncc(I)s1 ZINC000561957522 532455016 /nfs/dbraw/zinc/45/50/16/532455016.db2.gz RNFHXJXFBHYVFW-SNVBAGLBSA-N 1 1 395.310 2.025 20 0 GEADMO CN(C[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC000519167415 532458291 /nfs/dbraw/zinc/45/82/91/532458291.db2.gz UPCYCNATFSWVRZ-IXDOHACOSA-N 1 1 397.313 2.004 20 0 GEADMO C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC000519167415 532458298 /nfs/dbraw/zinc/45/82/98/532458298.db2.gz UPCYCNATFSWVRZ-IXDOHACOSA-N 1 1 397.313 2.004 20 0 GEADMO C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC000519167415 532458302 /nfs/dbraw/zinc/45/83/02/532458302.db2.gz UPCYCNATFSWVRZ-IXDOHACOSA-N 1 1 397.313 2.004 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000428785507 532460021 /nfs/dbraw/zinc/46/00/21/532460021.db2.gz UQQLCLNSJZAYJC-ABAIWWIYSA-N 1 1 395.301 2.450 20 0 GEADMO CN(C)c1cc(Br)cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295588794 532460855 /nfs/dbraw/zinc/46/08/55/532460855.db2.gz WHXJXTXNHIVMGT-OAHLLOKOSA-N 1 1 384.318 2.092 20 0 GEADMO C[N@@H+](CCCc1ccccc1Br)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428816211 532461478 /nfs/dbraw/zinc/46/14/78/532461478.db2.gz IFDAUMHEUPEMHZ-AWEZNQCLSA-N 1 1 375.332 2.347 20 0 GEADMO Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000373730509 532464708 /nfs/dbraw/zinc/46/47/08/532464708.db2.gz VETPBJWQVGHCLE-GFCCVEGCSA-N 1 1 388.946 2.326 20 0 GEADMO C[N@H+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1(C)C ZINC000282422056 532465160 /nfs/dbraw/zinc/46/51/60/532465160.db2.gz FOBVOOZWWCFZIT-UHFFFAOYSA-N 1 1 380.341 2.298 20 0 GEADMO C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373725478 532465394 /nfs/dbraw/zinc/46/53/94/532465394.db2.gz IRGSISUALSBKBI-ZFWWWQNUSA-N 1 1 382.917 2.262 20 0 GEADMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000373733739 532466260 /nfs/dbraw/zinc/46/62/60/532466260.db2.gz ZCXYAGILRSXPOJ-HIFRSBDPSA-N 1 1 382.917 2.405 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000468486759 532466963 /nfs/dbraw/zinc/46/69/63/532466963.db2.gz FNBGREWOQYUKTQ-GFCCVEGCSA-N 1 1 386.290 2.009 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Br)C[C@H]2C1 ZINC000194915808 532463319 /nfs/dbraw/zinc/46/33/19/532463319.db2.gz LCOZUACVXKJZAL-AOOOYVTPSA-N 1 1 386.677 2.061 20 0 GEADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cnn1C ZINC000373778057 532468786 /nfs/dbraw/zinc/46/87/86/532468786.db2.gz QQDYVILSGCUOJF-XJKSGUPXSA-N 1 1 380.901 2.379 20 0 GEADMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000429063595 532470357 /nfs/dbraw/zinc/47/03/57/532470357.db2.gz XXKVHWMEJVZDND-MRXNPFEDSA-N 1 1 387.933 2.462 20 0 GEADMO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COc1ccc(Cl)cc1Br ZINC000593098052 532470504 /nfs/dbraw/zinc/47/05/04/532470504.db2.gz UOZGXJHRSBLIRU-RMTRJLFJSA-N 1 1 394.718 2.047 20 0 GEADMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COc1ccc(Cl)cc1Br ZINC000593098052 532470509 /nfs/dbraw/zinc/47/05/09/532470509.db2.gz UOZGXJHRSBLIRU-RMTRJLFJSA-N 1 1 394.718 2.047 20 0 GEADMO CN(C)c1[nH+]cc(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)n1C ZINC000651559442 532476559 /nfs/dbraw/zinc/47/65/59/532476559.db2.gz ZAAWRLRUODRZRP-UHFFFAOYSA-N 1 1 383.326 2.474 20 0 GEADMO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1Br ZINC000684633228 532479866 /nfs/dbraw/zinc/47/98/66/532479866.db2.gz DSEGZHSCRMGUKE-LBPRGKRZSA-N 1 1 398.276 2.436 20 0 GEADMO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000468895028 532480988 /nfs/dbraw/zinc/48/09/88/532480988.db2.gz IEEYNKFOHWZIQA-CYBMUJFWSA-N 1 1 380.432 2.091 20 0 GEADMO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000468895028 532480993 /nfs/dbraw/zinc/48/09/93/532480993.db2.gz IEEYNKFOHWZIQA-CYBMUJFWSA-N 1 1 380.432 2.091 20 0 GEADMO CC[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)Cc1cccc(Br)c1 ZINC000519817809 532481020 /nfs/dbraw/zinc/48/10/20/532481020.db2.gz IFZSFZBLLBHZOG-LPHOPBHVSA-N 1 1 398.389 2.216 20 0 GEADMO O=C(COc1ccc2cc(Br)ccc2c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174406 532481220 /nfs/dbraw/zinc/48/12/20/532481220.db2.gz APMCJVAKXYWKFP-MRXNPFEDSA-N 1 1 393.281 2.164 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1(c2cccc(Br)c2)CCCC1 ZINC000629177974 532482397 /nfs/dbraw/zinc/48/23/97/532482397.db2.gz ZAMILOIOPYLGMK-MRXNPFEDSA-N 1 1 381.314 2.444 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(Cl)c1Cl ZINC000468989174 532484789 /nfs/dbraw/zinc/48/47/89/532484789.db2.gz OANWDLXIGJUODJ-NSHDSACASA-N 1 1 397.324 2.079 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c(Cl)c1Cl ZINC000468989174 532484796 /nfs/dbraw/zinc/48/47/96/532484796.db2.gz OANWDLXIGJUODJ-NSHDSACASA-N 1 1 397.324 2.079 20 0 GEADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429958874 532485731 /nfs/dbraw/zinc/48/57/31/532485731.db2.gz BOFHBLHMVCYVRF-CQSZACIVSA-N 1 1 380.290 2.901 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000295926354 532489160 /nfs/dbraw/zinc/48/91/60/532489160.db2.gz GTRGMWUQAUUPDK-CYBMUJFWSA-N 1 1 392.301 2.311 20 0 GEADMO O=S(=O)(Cc1cc(Cl)sc1Cl)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000651723727 532490171 /nfs/dbraw/zinc/49/01/71/532490171.db2.gz ZQUISWUULLWWBC-LLVKDONJSA-N 1 1 387.354 2.321 20 0 GEADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651716441 532490239 /nfs/dbraw/zinc/49/02/39/532490239.db2.gz YEEYZIUDANCFGI-MWLCHTKSSA-N 1 1 387.354 2.272 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000651714434 532490389 /nfs/dbraw/zinc/49/03/89/532490389.db2.gz RELHAVUBXDOQGM-KRWDZBQOSA-N 1 1 395.301 2.035 20 0 GEADMO C[C@@H](C(=O)N[C@@H]1CCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000282717492 532490718 /nfs/dbraw/zinc/49/07/18/532490718.db2.gz GZODCUZIBQFCQP-SWLSCSKDSA-N 1 1 382.302 2.025 20 0 GEADMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000469077448 532490668 /nfs/dbraw/zinc/49/06/68/532490668.db2.gz UZIACTOKUVSGNO-NSHDSACASA-N 1 1 398.859 2.019 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000469077448 532490672 /nfs/dbraw/zinc/49/06/72/532490672.db2.gz UZIACTOKUVSGNO-NSHDSACASA-N 1 1 398.859 2.019 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000282717487 532491742 /nfs/dbraw/zinc/49/17/42/532491742.db2.gz GZODCUZIBQFCQP-IUODEOHRSA-N 1 1 382.302 2.025 20 0 GEADMO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000562993885 532492723 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COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000474139262 532607406 /nfs/dbraw/zinc/60/74/06/532607406.db2.gz VYXOLVDJNJYZTQ-LBPRGKRZSA-N 1 1 389.315 2.315 20 0 GEADMO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000474139262 532607413 /nfs/dbraw/zinc/60/74/13/532607413.db2.gz VYXOLVDJNJYZTQ-LBPRGKRZSA-N 1 1 389.315 2.315 20 0 GEADMO CS[C@@H]1CN(C(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)C[C@H]1[NH+](C)C ZINC000435092283 532607579 /nfs/dbraw/zinc/60/75/79/532607579.db2.gz STUAQUPNIXPXOY-HZPDHXFCSA-N 1 1 385.555 2.216 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)c1cc(I)ccc1F ZINC000474162647 532607844 /nfs/dbraw/zinc/60/78/44/532607844.db2.gz AMQVKSKEHHUOCA-UHFFFAOYSA-N 1 1 394.228 2.128 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2scnc2C(F)(F)F)CC1 ZINC000566436157 532609066 /nfs/dbraw/zinc/60/90/66/532609066.db2.gz ARSSTUMDZKFQOY-GFCCVEGCSA-N 1 1 376.448 2.404 20 0 GEADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2scnc2C(F)(F)F)CC1 ZINC000566436158 532609694 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COc1ccc(Br)cc1C[C@H](CO)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000566466519 532611613 /nfs/dbraw/zinc/61/16/13/532611613.db2.gz OAOKJKDPAFIWLX-ZDUSSCGKSA-N 1 1 399.329 2.067 20 0 GEADMO O=C(c1[nH]nc2ccc(I)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435242955 532612138 /nfs/dbraw/zinc/61/21/38/532612138.db2.gz PLSLHFZOLGGNHD-NSHDSACASA-N 1 1 396.232 2.134 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1Cl ZINC000632452492 532612699 /nfs/dbraw/zinc/61/26/99/532612699.db2.gz XSBWWTMOCMUPHF-UHFFFAOYSA-N 1 1 388.917 2.224 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000298064139 532622887 /nfs/dbraw/zinc/62/28/87/532622887.db2.gz RQNQGMRHDNYVLL-UKRRQHHQSA-N 1 1 396.329 2.349 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376657465 532623350 /nfs/dbraw/zinc/62/33/50/532623350.db2.gz VUOQLOOSTIWJCG-NEPJUHHUSA-N 1 1 382.555 2.108 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ncsc2Br)C1 ZINC000632544860 532624823 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CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000597859152 532629009 /nfs/dbraw/zinc/62/90/09/532629009.db2.gz ABPJSQZGZYFKFP-SNVBAGLBSA-N 1 1 375.254 2.470 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000566893622 532629008 /nfs/dbraw/zinc/62/90/08/532629008.db2.gz FWJSTNVNVLTSHF-YVEFUNNKSA-N 1 1 395.302 2.445 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000284883141 532629791 /nfs/dbraw/zinc/62/97/91/532629791.db2.gz VVWABHWONIPLRJ-VXGBXAGGSA-N 1 1 383.290 2.019 20 0 GEADMO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000656786907 532630748 /nfs/dbraw/zinc/63/07/48/532630748.db2.gz DNESQERPILPUQF-AWEZNQCLSA-N 1 1 385.339 2.313 20 0 GEADMO C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632612266 532631190 /nfs/dbraw/zinc/63/11/90/532631190.db2.gz IDJLIDNUXHWDSB-TUKIKUTGSA-N 1 1 380.432 2.405 20 0 GEADMO C[NH+](C)C1(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000632612257 532631589 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/nfs/dbraw/zinc/80/63/19/532806319.db2.gz HLBLTXLVCXQVMW-OAHLLOKOSA-N 1 1 386.323 2.206 20 0 GEADMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCSCC1)c1ccccc1Cl ZINC000555566352 532807649 /nfs/dbraw/zinc/80/76/49/532807649.db2.gz COAZUQPZNYSLFB-INIZCTEOSA-N 1 1 383.945 2.415 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000413321948 532809757 /nfs/dbraw/zinc/80/97/57/532809757.db2.gz WVKXMXCVHSHQNL-HNNXBMFYSA-N 1 1 397.361 2.440 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000459850584 532797945 /nfs/dbraw/zinc/79/79/45/532797945.db2.gz SMXWTYOBXZVKQW-UHFFFAOYSA-N 1 1 394.313 2.104 20 0 GEADMO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000270537411 532799135 /nfs/dbraw/zinc/79/91/35/532799135.db2.gz WHJZAGJHIBIDKB-UHFFFAOYSA-N 1 1 397.361 2.418 20 0 GEADMO O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551140202 532799385 /nfs/dbraw/zinc/79/93/85/532799385.db2.gz ONSDFROJYLSLMN-HZPDHXFCSA-N 1 1 384.307 2.395 20 0 GEADMO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000462199640 532800838 /nfs/dbraw/zinc/80/08/38/532800838.db2.gz NGRWGJLXCIBMIM-MEBBXXQBSA-N 1 1 381.270 2.448 20 0 GEADMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000287594953 532801489 /nfs/dbraw/zinc/80/14/89/532801489.db2.gz LHBVRTGTVDFVMX-LLVKDONJSA-N 1 1 375.803 2.133 20 0 GEADMO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000329151404 532802679 /nfs/dbraw/zinc/80/26/79/532802679.db2.gz ACZOKHVRZCGJJL-AWEZNQCLSA-N 1 1 384.567 2.141 20 0 GEADMO O=S1(=O)CCC(O)(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000329151404 532802683 /nfs/dbraw/zinc/80/26/83/532802683.db2.gz ACZOKHVRZCGJJL-AWEZNQCLSA-N 1 1 384.567 2.141 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000551970468 532802910 /nfs/dbraw/zinc/80/29/10/532802910.db2.gz IYFGBHIACDTTGP-UHFFFAOYSA-N 1 1 396.329 2.007 20 0 GEADMO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ncc(Br)s1 ZINC000552339886 532803687 /nfs/dbraw/zinc/80/36/87/532803687.db2.gz HHKFYJJCHOOWQQ-VHSXEESVSA-N 1 1 382.349 2.370 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000554042673 532804297 /nfs/dbraw/zinc/80/42/97/532804297.db2.gz XZTNAYDSAZGTEY-OCCSQVGLSA-N 1 1 382.302 2.006 20 0 GEADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000329890674 532812774 /nfs/dbraw/zinc/81/27/74/532812774.db2.gz GQAGCUCSPXVKCQ-LLVKDONJSA-N 1 1 397.317 2.375 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272374405 532814939 /nfs/dbraw/zinc/81/49/39/532814939.db2.gz VITZTTIMTGSWQL-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000330159870 532815088 /nfs/dbraw/zinc/81/50/88/532815088.db2.gz RIIVRJJOFQMNKB-RISCZKNCSA-N 1 1 377.432 2.273 20 0 GEADMO O=C(NC[C@H](O)C1CC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413876805 532815588 /nfs/dbraw/zinc/81/55/88/532815588.db2.gz KYQQEOBOMBKDQS-KRWDZBQOSA-N 1 1 396.329 2.484 20 0 GEADMO Cc1ccc(Br)c(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000413732834 532814001 /nfs/dbraw/zinc/81/40/01/532814001.db2.gz YYWJABKZQRNFEX-OAHLLOKOSA-N 1 1 384.318 2.404 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Br)c1 ZINC000272382182 532814566 /nfs/dbraw/zinc/81/45/66/532814566.db2.gz WNCYEHAGQFIXNG-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1Cl ZINC000272367212 532814632 /nfs/dbraw/zinc/81/46/32/532814632.db2.gz UCGWZVOPZUUNJQ-QMTHXVAHSA-N 1 1 386.279 2.493 20 0 GEADMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[N@H+](C)C1 ZINC000330513368 532820710 /nfs/dbraw/zinc/82/07/10/532820710.db2.gz KJCHNFFNFMZIOH-QWRGUYRKSA-N 1 1 398.859 2.281 20 0 GEADMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[N@@H+](C)C1 ZINC000330513368 532820713 /nfs/dbraw/zinc/82/07/13/532820713.db2.gz KJCHNFFNFMZIOH-QWRGUYRKSA-N 1 1 398.859 2.281 20 0 GEADMO COc1ccc(C[C@@H](C)[NH2+]Cc2nn(C)cc2I)cn1 ZINC000414143190 532819525 /nfs/dbraw/zinc/81/95/25/532819525.db2.gz IMHQZNBSZHUPGO-SNVBAGLBSA-N 1 1 386.237 2.149 20 0 GEADMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000330517088 532820671 /nfs/dbraw/zinc/82/06/71/532820671.db2.gz FPOGECQVGGZNLQ-DOMZBBRYSA-N 1 1 380.432 2.095 20 0 GEADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000330517088 532820675 /nfs/dbraw/zinc/82/06/75/532820675.db2.gz FPOGECQVGGZNLQ-DOMZBBRYSA-N 1 1 380.432 2.095 20 0 GEADMO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000288275740 532823007 /nfs/dbraw/zinc/82/30/07/532823007.db2.gz IKGJUFJQYVDTDO-HNNXBMFYSA-N 1 1 384.322 2.304 20 0 GEADMO Cc1ncsc1CC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000273406485 532823244 /nfs/dbraw/zinc/82/32/44/532823244.db2.gz PVIIVDMYNUVDOO-KRWDZBQOSA-N 1 1 378.929 2.492 20 0 GEADMO CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000273559643 532826861 /nfs/dbraw/zinc/82/68/61/532826861.db2.gz XBBYCUWMJJHYJZ-JKSUJKDBSA-N 1 1 382.551 2.132 20 0 GEADMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000414469041 532830198 /nfs/dbraw/zinc/83/01/98/532830198.db2.gz LJOULTKOSVUJSL-NSHDSACASA-N 1 1 385.873 2.231 20 0 GEADMO CC(C)(C)C1=CC[N@H+](CCNS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000414467153 532829551 /nfs/dbraw/zinc/82/95/51/532829551.db2.gz WCLKVOQQHAURNN-UHFFFAOYSA-N 1 1 376.473 2.105 20 0 GEADMO CC(C)(C)C1=CC[N@@H+](CCNS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000414467153 532829552 /nfs/dbraw/zinc/82/95/52/532829552.db2.gz WCLKVOQQHAURNN-UHFFFAOYSA-N 1 1 376.473 2.105 20 0 GEADMO CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699422 532831553 /nfs/dbraw/zinc/83/15/53/532831553.db2.gz CVEMBPQXECUJRS-OAHLLOKOSA-N 1 1 398.345 2.375 20 0 GEADMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000331284825 532836893 /nfs/dbraw/zinc/83/68/93/532836893.db2.gz SRSYGGYETDLGDG-LBPRGKRZSA-N 1 1 390.303 2.095 20 0 GEADMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000331284825 532836895 /nfs/dbraw/zinc/83/68/95/532836895.db2.gz SRSYGGYETDLGDG-LBPRGKRZSA-N 1 1 390.303 2.095 20 0 GEADMO COc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(Cl)c1OC ZINC000414997664 532836931 /nfs/dbraw/zinc/83/69/31/532836931.db2.gz YOPIXGSXSWHBTK-AWEZNQCLSA-N 1 1 381.826 2.283 20 0 GEADMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000273949337 532837548 /nfs/dbraw/zinc/83/75/48/532837548.db2.gz FDQMJUGSHXYMCK-ZDUSSCGKSA-N 1 1 376.766 2.354 20 0 GEADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000273949334 532837989 /nfs/dbraw/zinc/83/79/89/532837989.db2.gz FDQMJUGSHXYMCK-CYBMUJFWSA-N 1 1 376.766 2.354 20 0 GEADMO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000274039917 532839905 /nfs/dbraw/zinc/83/99/05/532839905.db2.gz OLYWKDJCRXFXBA-MNOVXSKESA-N 1 1 382.262 2.102 20 0 GEADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]21 ZINC000359996352 212130604 /nfs/dbraw/zinc/13/06/04/212130604.db2.gz QXJYRIJILHEKOT-JHJVBQTASA-N 1 1 379.423 2.290 20 0 GEADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]21 ZINC000359996352 212130605 /nfs/dbraw/zinc/13/06/05/212130605.db2.gz QXJYRIJILHEKOT-JHJVBQTASA-N 1 1 379.423 2.290 20 0 GEADMO Cn1cc([C@H](CO)NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000359993250 212129857 /nfs/dbraw/zinc/12/98/57/212129857.db2.gz JSXZJLYIEZTZKW-KCLUMXDGSA-N 1 1 397.523 2.053 20 0 GEADMO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000359882378 212121293 /nfs/dbraw/zinc/12/12/93/212121293.db2.gz VYWUXCXTMAFIFQ-QWFCFKBJSA-N 1 1 399.516 2.432 20 0 GEADMO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000359896737 212121232 /nfs/dbraw/zinc/12/12/32/212121232.db2.gz IWHGLMWOUDQFQZ-OXJNMPFZSA-N 1 1 398.507 2.289 20 0 GEADMO C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)CSc1nncs1 ZINC000359902088 212123581 /nfs/dbraw/zinc/12/35/81/212123581.db2.gz RSZQEUJSSVZZPG-GOEBONIOSA-N 1 1 392.550 2.378 20 0 GEADMO C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)CSc1nncs1 ZINC000359902088 212123583 /nfs/dbraw/zinc/12/35/83/212123583.db2.gz RSZQEUJSSVZZPG-GOEBONIOSA-N 1 1 392.550 2.378 20 0 GEADMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000359903551 212123058 /nfs/dbraw/zinc/12/30/58/212123058.db2.gz USGQSAAQTMCCOA-UHFFFAOYSA-N 1 1 384.929 2.313 20 0 GEADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000359903551 212123059 /nfs/dbraw/zinc/12/30/59/212123059.db2.gz USGQSAAQTMCCOA-UHFFFAOYSA-N 1 1 384.929 2.313 20 0 GEADMO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)CSc1nncs1 ZINC000359902089 212122847 /nfs/dbraw/zinc/12/28/47/212122847.db2.gz RSZQEUJSSVZZPG-HOCLYGCPSA-N 1 1 392.550 2.378 20 0 GEADMO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)CSc1nncs1 ZINC000359902089 212122850 /nfs/dbraw/zinc/12/28/50/212122850.db2.gz RSZQEUJSSVZZPG-HOCLYGCPSA-N 1 1 392.550 2.378 20 0 GEADMO CCn1nc2c(cc1=O)C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000359876159 212122106 /nfs/dbraw/zinc/12/21/06/212122106.db2.gz UHWONVHKDZALEC-UHFFFAOYSA-N 1 1 376.501 2.268 20 0 GEADMO CCOC(=O)C1CCN(C(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111068 /nfs/dbraw/zinc/11/10/68/212111068.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 1 1 393.572 2.375 20 0 GEADMO CC[N@H+]1CCC[C@@H](CN(C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212087997 /nfs/dbraw/zinc/08/79/97/212087997.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 1 1 389.466 2.146 20 0 GEADMO CCc1nnsc1C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328623388 212086070 /nfs/dbraw/zinc/08/60/70/212086070.db2.gz JAQUQWMZGPRQBB-XJKSGUPXSA-N 1 1 376.530 2.379 20 0 GEADMO C[NH+](C)C[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000331677108 532842541 /nfs/dbraw/zinc/84/25/41/532842541.db2.gz ZZKYVNISUAWYLC-JTQLQIEISA-N 1 1 398.248 2.191 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000331693574 532842813 /nfs/dbraw/zinc/84/28/13/532842813.db2.gz XZSYNOGOPBYPJU-BLLLJJGKSA-N 1 1 382.302 2.456 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000288963447 532843199 /nfs/dbraw/zinc/84/31/99/532843199.db2.gz PYFXKTOFEYFRJG-SWLSCSKDSA-N 1 1 394.313 2.149 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000288989240 532843790 /nfs/dbraw/zinc/84/37/90/532843790.db2.gz RWHUBLVZCCTFNK-IUODEOHRSA-N 1 1 394.313 2.149 20 0 GEADMO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000274205609 532844028 /nfs/dbraw/zinc/84/40/28/532844028.db2.gz SIQBYVUGAXQASY-RRQGHBQHSA-N 1 1 375.918 2.288 20 0 GEADMO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000274205609 532844031 /nfs/dbraw/zinc/84/40/31/532844031.db2.gz SIQBYVUGAXQASY-RRQGHBQHSA-N 1 1 375.918 2.288 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010662 532844505 /nfs/dbraw/zinc/84/45/05/532844505.db2.gz KIYUCZAPWRJBQN-BLLLJJGKSA-N 1 1 394.313 2.006 20 0 GEADMO COCCn1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)nn1 ZINC000415500429 532847968 /nfs/dbraw/zinc/84/79/68/532847968.db2.gz MYCUAMJKTVEPTC-UHFFFAOYSA-N 1 1 382.262 2.001 20 0 GEADMO CCOc1c(Br)cc(CNCC[N@H+](CC)CCO)cc1OC ZINC000274405252 532849292 /nfs/dbraw/zinc/84/92/92/532849292.db2.gz NKAQXMQKLIMMEG-UHFFFAOYSA-N 1 1 375.307 2.260 20 0 GEADMO CCOc1c(Br)cc(CNCC[N@@H+](CC)CCO)cc1OC ZINC000274405252 532849297 /nfs/dbraw/zinc/84/92/97/532849297.db2.gz NKAQXMQKLIMMEG-UHFFFAOYSA-N 1 1 375.307 2.260 20 0 GEADMO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C1=CC[N@@H+](C)CC1 ZINC000289216051 532850200 /nfs/dbraw/zinc/85/02/00/532850200.db2.gz CGKLHAZXVHKJKR-ZDUSSCGKSA-N 1 1 394.313 2.174 20 0 GEADMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@H]2C1 ZINC000332248478 532850286 /nfs/dbraw/zinc/85/02/86/532850286.db2.gz XICGDDSTEPPBEP-RYUDHWBXSA-N 1 1 396.843 2.035 20 0 GEADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@H]2C1 ZINC000332248478 532850287 /nfs/dbraw/zinc/85/02/87/532850287.db2.gz XICGDDSTEPPBEP-RYUDHWBXSA-N 1 1 396.843 2.035 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1Br ZINC000274446863 532850696 /nfs/dbraw/zinc/85/06/96/532850696.db2.gz ULRXFZITZUJEMK-RISCZKNCSA-N 1 1 380.286 2.295 20 0 GEADMO O=S(=O)(CCC[NH2+]Cc1ncc(C2OCCO2)s1)Cc1ccccc1 ZINC000289237255 532850890 /nfs/dbraw/zinc/85/08/90/532850890.db2.gz KTTJBALHGVCKOE-UHFFFAOYSA-N 1 1 382.507 2.283 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000332365922 532853117 /nfs/dbraw/zinc/85/31/17/532853117.db2.gz RMSSNIQUIAYCOJ-CQSZACIVSA-N 1 1 392.656 2.201 20 0 GEADMO CN(C)c1nc(N2CCN(C(=O)c3sccc3Br)CC2)cc[nH+]1 ZINC000332410532 532854657 /nfs/dbraw/zinc/85/46/57/532854657.db2.gz GJZFOEGGJFNNOP-UHFFFAOYSA-N 1 1 396.314 2.329 20 0 GEADMO CN(C)c1nc(N2CCN(C(=O)c3cc(Br)cs3)CC2)cc[nH+]1 ZINC000332407411 532854666 /nfs/dbraw/zinc/85/46/66/532854666.db2.gz CTSXKDWHTUPMPA-UHFFFAOYSA-N 1 1 396.314 2.329 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000289467814 532855556 /nfs/dbraw/zinc/85/55/56/532855556.db2.gz HOUMXXZHDMCAKP-CYBMUJFWSA-N 1 1 391.559 2.045 20 0 GEADMO Cc1ccc(NC(=O)NCC(F)(F)C[NH3+])cc1S(=O)(=O)C1CCCC1 ZINC000415759364 532856059 /nfs/dbraw/zinc/85/60/59/532856059.db2.gz LNAKSMRUBFZFDB-UHFFFAOYSA-N 1 1 375.441 2.427 20 0 GEADMO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000289484591 532856192 /nfs/dbraw/zinc/85/61/92/532856192.db2.gz KJDZBXLVRDXXHT-VIFPVBQESA-N 1 1 380.164 2.188 20 0 GEADMO C[C@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000332589283 532857336 /nfs/dbraw/zinc/85/73/36/532857336.db2.gz DSJMFGLNJZGJLU-GFCCVEGCSA-N 1 1 387.311 2.026 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000289510402 532857353 /nfs/dbraw/zinc/85/73/53/532857353.db2.gz DEXURLXPDZQGGD-CZUORRHYSA-N 1 1 388.302 2.304 20 0 GEADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OC)cc2Br)C1 ZINC000289510402 532857355 /nfs/dbraw/zinc/85/73/55/532857355.db2.gz DEXURLXPDZQGGD-CZUORRHYSA-N 1 1 388.302 2.304 20 0 GEADMO COCC[N@H+]1CC[C@@H](NCc2ncc(Br)cc2Br)C1 ZINC000274838435 532857929 /nfs/dbraw/zinc/85/79/29/532857929.db2.gz LQAMGIIPBJHXTM-LLVKDONJSA-N 1 1 393.123 2.417 20 0 GEADMO COCCN1CC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000274838435 532857933 /nfs/dbraw/zinc/85/79/33/532857933.db2.gz LQAMGIIPBJHXTM-LLVKDONJSA-N 1 1 393.123 2.417 20 0 GEADMO CC[C@H]1CN(C(=O)Nc2cc(Br)ccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000332617593 532858312 /nfs/dbraw/zinc/85/83/12/532858312.db2.gz BLUZJDQVVOPMJF-JSGCOSHPSA-N 1 1 383.290 2.419 20 0 GEADMO COc1c(Br)cccc1C[N@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289550390 532858555 /nfs/dbraw/zinc/85/85/55/532858555.db2.gz IMKKYZGFLRPBFT-SJKOYZFVSA-N 1 1 396.285 2.410 20 0 GEADMO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000332621405 532858672 /nfs/dbraw/zinc/85/86/72/532858672.db2.gz ULSPKNLQYAHSGO-ZDUSSCGKSA-N 1 1 380.286 2.311 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000332656995 532859776 /nfs/dbraw/zinc/85/97/76/532859776.db2.gz WAPIJLBOOPGAEJ-LSDHHAIUSA-N 1 1 386.901 2.374 20 0 GEADMO O=C(C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CCOCC1 ZINC000289588485 532859843 /nfs/dbraw/zinc/85/98/43/532859843.db2.gz UABLERILRNFBCX-UHFFFAOYSA-N 1 1 381.192 2.416 20 0 GEADMO COc1ccc(Br)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289667534 532862598 /nfs/dbraw/zinc/86/25/98/532862598.db2.gz YWZXIQZYDRXBGU-UHFFFAOYSA-N 1 1 391.331 2.219 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000333166404 532865473 /nfs/dbraw/zinc/86/54/73/532865473.db2.gz MVIRYJSWYCWIKU-JSGCOSHPSA-N 1 1 388.917 2.462 20 0 GEADMO COc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289879534 532867253 /nfs/dbraw/zinc/86/72/53/532867253.db2.gz WBPJRJUEOBBMCM-SJCJKPOMSA-N 1 1 396.285 2.410 20 0 GEADMO O=C(Nc1ncc(C(F)(F)F)s1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333406109 532867946 /nfs/dbraw/zinc/86/79/46/532867946.db2.gz ZHQVICPARCPQEM-UHFFFAOYSA-N 1 1 377.436 2.500 20 0 GEADMO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000333391203 532868097 /nfs/dbraw/zinc/86/80/97/532868097.db2.gz GZIDETUZZCMWSB-SHARSMKWSA-N 1 1 386.480 2.384 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000333391203 532868098 /nfs/dbraw/zinc/86/80/98/532868098.db2.gz GZIDETUZZCMWSB-SHARSMKWSA-N 1 1 386.480 2.384 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416241964 532868340 /nfs/dbraw/zinc/86/83/40/532868340.db2.gz FAGIRESQUVBBQX-JTQLQIEISA-N 1 1 393.684 2.309 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416241964 532868344 /nfs/dbraw/zinc/86/83/44/532868344.db2.gz FAGIRESQUVBBQX-JTQLQIEISA-N 1 1 393.684 2.309 20 0 GEADMO COCC[N@H+]1CCCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000289958703 532868665 /nfs/dbraw/zinc/86/86/65/532868665.db2.gz DUMUWCMUWAURJE-UHFFFAOYSA-N 1 1 382.814 2.044 20 0 GEADMO Brc1ccccc1-n1cc(C[NH2+]CCCCN2CCOCC2)nn1 ZINC000290006570 532870101 /nfs/dbraw/zinc/87/01/01/532870101.db2.gz UDWDCYBHXSGCIS-UHFFFAOYSA-N 1 1 394.317 2.232 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416300619 532870137 /nfs/dbraw/zinc/87/01/37/532870137.db2.gz UFHRJVCDGICBGL-RDBSUJKOSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416300619 532870138 /nfs/dbraw/zinc/87/01/38/532870138.db2.gz UFHRJVCDGICBGL-RDBSUJKOSA-N 1 1 385.302 2.130 20 0 GEADMO Cc1cc(Br)cnc1N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000333523076 532870282 /nfs/dbraw/zinc/87/02/82/532870282.db2.gz KZEXXLZXDHUGHZ-UHFFFAOYSA-N 1 1 377.290 2.231 20 0 GEADMO COc1cc(Br)ccc1CCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416318918 532870773 /nfs/dbraw/zinc/87/07/73/532870773.db2.gz YCONNKMJRPDLTM-KBPBESRZSA-N 1 1 399.329 2.304 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C[N@H+]1CCO ZINC000416304952 532870635 /nfs/dbraw/zinc/87/06/35/532870635.db2.gz ZUCJHDUNZFGYTK-NEPJUHHUSA-N 1 1 385.295 2.097 20 0 GEADMO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000275351174 532873837 /nfs/dbraw/zinc/87/38/37/532873837.db2.gz QSCXYSLMFLNQDN-ONGXEEELSA-N 1 1 380.283 2.058 20 0 GEADMO Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275368494 532874031 /nfs/dbraw/zinc/87/40/31/532874031.db2.gz WTTWLBIFZYJUTB-GFCCVEGCSA-N 1 1 384.299 2.495 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000333777492 532873648 /nfs/dbraw/zinc/87/36/48/532873648.db2.gz ULIOVSGQJUBYPG-LLVKDONJSA-N 1 1 396.285 2.335 20 0 GEADMO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)C(C)C)c(Br)c1 ZINC000290196703 532875022 /nfs/dbraw/zinc/87/50/22/532875022.db2.gz PEYICCVSBWGRJN-UHFFFAOYSA-N 1 1 378.288 2.149 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000416404419 532876516 /nfs/dbraw/zinc/87/65/16/532876516.db2.gz ADRFUOYROGWLOD-NWDGAFQWSA-N 1 1 376.906 2.460 20 0 GEADMO O=C1CC2(CN1)CC[NH+](Cc1cn(-c3ccccc3Br)nn1)CC2 ZINC000290341668 532878647 /nfs/dbraw/zinc/87/86/47/532878647.db2.gz DOYXSTFBNVZERD-UHFFFAOYSA-N 1 1 390.285 2.132 20 0 GEADMO Cc1cc(CNC(=O)c2cc(Br)nn2C)cc(N2CCCC2)[nH+]1 ZINC000290465720 532881682 /nfs/dbraw/zinc/88/16/82/532881682.db2.gz VQYPRPZEWQACLM-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO C[C@H](NC(=O)C[N@@H+](CCO)C1CCOCC1)c1ccc(Br)cc1 ZINC000275647739 532880787 /nfs/dbraw/zinc/88/07/87/532880787.db2.gz WURRMOPAXPUAIJ-ZDUSSCGKSA-N 1 1 385.302 2.100 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)CC[N@@H+]1CC(C)(C)O ZINC000290680087 532886616 /nfs/dbraw/zinc/88/66/16/532886616.db2.gz HTKOMIPCCSYLBR-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)CC[N@H+]1CC(C)(C)O ZINC000290680087 532886618 /nfs/dbraw/zinc/88/66/18/532886618.db2.gz HTKOMIPCCSYLBR-SNVBAGLBSA-N 1 1 390.709 2.415 20 0 GEADMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccccc1Br ZINC000290707777 532887188 /nfs/dbraw/zinc/88/71/88/532887188.db2.gz LHBNBNLWKFKGAG-CZUORRHYSA-N 1 1 382.302 2.454 20 0 GEADMO Ic1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)nc1 ZINC000351089772 532887275 /nfs/dbraw/zinc/88/72/75/532887275.db2.gz 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532929081 /nfs/dbraw/zinc/92/90/81/532929081.db2.gz TUZNUZBGDGZPGS-SECBINFHSA-N 1 1 375.483 2.248 20 0 GEADMO COc1ccc(CCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1Br ZINC000367995005 532929408 /nfs/dbraw/zinc/92/94/08/532929408.db2.gz XETXNRPWOLUTEK-GFCCVEGCSA-N 1 1 377.229 2.456 20 0 GEADMO C[C@@](O)(CNC(=O)N[C@@H]1CCCc2sc(Cl)cc21)C[NH+]1CCOCC1 ZINC000368378804 532931942 /nfs/dbraw/zinc/93/19/42/532931942.db2.gz RJARVAQJBKCICR-CXAGYDPISA-N 1 1 387.933 2.161 20 0 GEADMO C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000368440099 532932409 /nfs/dbraw/zinc/93/24/09/532932409.db2.gz AKLBSONCJXRARC-OAHLLOKOSA-N 1 1 397.361 2.291 20 0 GEADMO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000368435115 532932577 /nfs/dbraw/zinc/93/25/77/532932577.db2.gz XZNYZLHQWHUILW-WMLDXEAASA-N 1 1 390.908 2.399 20 0 GEADMO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000368516399 532933029 /nfs/dbraw/zinc/93/30/29/532933029.db2.gz SOWFJCJVIGAZDI-DGCLKSJQSA-N 1 1 382.555 2.407 20 0 GEADMO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000368516399 532933030 /nfs/dbraw/zinc/93/30/30/532933030.db2.gz SOWFJCJVIGAZDI-DGCLKSJQSA-N 1 1 382.555 2.407 20 0 GEADMO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000294023851 532934781 /nfs/dbraw/zinc/93/47/81/532934781.db2.gz JNEKDJBKBVMWEG-UHFFFAOYSA-N 1 1 377.246 2.336 20 0 GEADMO COc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000369073698 532936795 /nfs/dbraw/zinc/93/67/95/532936795.db2.gz DHSRQPQRPMUPCF-GFCCVEGCSA-N 1 1 389.315 2.317 20 0 GEADMO Cc1c(Br)cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(=O)n1C ZINC000294301542 532938039 /nfs/dbraw/zinc/93/80/39/532938039.db2.gz VVDCWNQNJXHOAB-QGZVFWFLSA-N 1 1 382.302 2.014 20 0 GEADMO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369207914 532937437 /nfs/dbraw/zinc/93/74/37/532937437.db2.gz SGOJQIYESIMADU-OPQQBVKSSA-N 1 1 378.391 2.348 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279530 532937929 /nfs/dbraw/zinc/93/79/29/532937929.db2.gz XSCQSKVNRSNVCF-INIZCTEOSA-N 1 1 380.330 2.276 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279530 532937931 /nfs/dbraw/zinc/93/79/31/532937931.db2.gz XSCQSKVNRSNVCF-INIZCTEOSA-N 1 1 380.330 2.276 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369541993 532939947 /nfs/dbraw/zinc/93/99/47/532939947.db2.gz XJTHKFISIYPZGW-DGCLKSJQSA-N 1 1 388.946 2.415 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369536645 532939961 /nfs/dbraw/zinc/93/99/61/532939961.db2.gz JJUMLAQVMRNTPI-YOEHRIQHSA-N 1 1 390.908 2.399 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)CNC(=O)OCC(F)(F)F)[C@H]1c1cccs1 ZINC000369546842 532939963 /nfs/dbraw/zinc/93/99/63/532939963.db2.gz DDFZXLTZZYMYTM-MFKMUULPSA-N 1 1 379.404 2.146 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294337194 532938094 /nfs/dbraw/zinc/93/80/94/532938094.db2.gz AJUCTMOPZUESQG-LBPRGKRZSA-N 1 1 378.274 2.101 20 0 GEADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000369329195 532938295 /nfs/dbraw/zinc/93/82/95/532938295.db2.gz IWXIWPYIQJKSEZ-NEPJUHHUSA-N 1 1 384.889 2.452 20 0 GEADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000369329195 532938296 /nfs/dbraw/zinc/93/82/96/532938296.db2.gz IWXIWPYIQJKSEZ-NEPJUHHUSA-N 1 1 384.889 2.452 20 0 GEADMO Cn1cnnc1SCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369345421 532938577 /nfs/dbraw/zinc/93/85/77/532938577.db2.gz KWOUQRIUOKSJMO-XJKSGUPXSA-N 1 1 379.917 2.370 20 0 GEADMO COc1ccc(Br)c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000369346050 532938688 /nfs/dbraw/zinc/93/86/88/532938688.db2.gz BKVPUGIFUUBHJJ-AWEZNQCLSA-N 1 1 379.258 2.086 20 0 GEADMO C[N@H+]1C[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@@H](c2ccccc2)C1 ZINC000369329302 532938740 /nfs/dbraw/zinc/93/87/40/532938740.db2.gz GHUFTRZZFBVYGT-CABCVRRESA-N 1 1 390.281 2.306 20 0 GEADMO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369365079 532939126 /nfs/dbraw/zinc/93/91/26/532939126.db2.gz XODZZRRFCSEFSW-CYBMUJFWSA-N 1 1 399.333 2.352 20 0 GEADMO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369365079 532939127 /nfs/dbraw/zinc/93/91/27/532939127.db2.gz XODZZRRFCSEFSW-CYBMUJFWSA-N 1 1 399.333 2.352 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(Br)cc3)CC2)C1 ZINC000369404000 532939431 /nfs/dbraw/zinc/93/94/31/532939431.db2.gz XWYFNBXFPKMJCE-QGZVFWFLSA-N 1 1 395.345 2.371 20 0 GEADMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370362511 532943097 /nfs/dbraw/zinc/94/30/97/532943097.db2.gz YHBUCMNDHMRCQH-CJNGLKHVSA-N 1 1 381.929 2.108 20 0 GEADMO COC(=O)[C@]12C[N@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]1COCC2 ZINC000369701244 532940474 /nfs/dbraw/zinc/94/04/74/532940474.db2.gz DURCGQJMHPWOMW-APPDUMDISA-N 1 1 387.263 2.443 20 0 GEADMO COC(=O)[C@]12C[N@@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]1COCC2 ZINC000369701244 532940475 /nfs/dbraw/zinc/94/04/75/532940475.db2.gz DURCGQJMHPWOMW-APPDUMDISA-N 1 1 387.263 2.443 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)C[C@@H]21 ZINC000369848328 532941161 /nfs/dbraw/zinc/94/11/61/532941161.db2.gz SUUFSWVERLAECQ-NHYWBVRUSA-N 1 1 386.905 2.269 20 0 GEADMO COCCC[N@H+]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000369903745 532941253 /nfs/dbraw/zinc/94/12/53/532941253.db2.gz BLSUYJMFENIQBC-INIZCTEOSA-N 1 1 384.318 2.020 20 0 GEADMO COc1cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000369962466 532941513 /nfs/dbraw/zinc/94/15/13/532941513.db2.gz YLXJRLISZXDYPA-LBPRGKRZSA-N 1 1 389.315 2.317 20 0 GEADMO Cc1csc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)[NH+]3CCSCC3)C2)n1 ZINC000371015671 532946486 /nfs/dbraw/zinc/94/64/86/532946486.db2.gz KUFAFRZDIITAPT-KBPBESRZSA-N 1 1 382.555 2.066 20 0 GEADMO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(Br)cn3)CCC[N@H+]2C)cn1 ZINC000370906728 532945974 /nfs/dbraw/zinc/94/59/74/532945974.db2.gz XOEVCPRAGFXIKL-MLGOLLRUSA-N 1 1 392.301 2.391 20 0 GEADMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C(=O)Nc1cccc(Cl)c1Cl ZINC000371350899 532947713 /nfs/dbraw/zinc/94/77/13/532947713.db2.gz BHMYMOLVOAVVCO-RYUDHWBXSA-N 1 1 386.279 2.301 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C(=O)Nc1cccc(Cl)c1Cl ZINC000371350899 532947714 /nfs/dbraw/zinc/94/77/14/532947714.db2.gz BHMYMOLVOAVVCO-RYUDHWBXSA-N 1 1 386.279 2.301 20 0 GEADMO CN1CC[NH+](C[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000371425981 532948023 /nfs/dbraw/zinc/94/80/23/532948023.db2.gz OABWBIFCNPQBJE-AWEZNQCLSA-N 1 1 389.924 2.127 20 0 GEADMO C[N@@H+](C[C@@H]1CC12CCN(Cc1csc(CS(C)(=O)=O)n1)CC2)C1CC1 ZINC000371415366 532948037 /nfs/dbraw/zinc/94/80/37/532948037.db2.gz BQTSSAPZJNSWJU-AWEZNQCLSA-N 1 1 383.583 2.384 20 0 GEADMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000371411559 532948057 /nfs/dbraw/zinc/94/80/57/532948057.db2.gz AQGHQORDHUARHU-OAHLLOKOSA-N 1 1 378.270 2.184 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000371511980 532948397 /nfs/dbraw/zinc/94/83/97/532948397.db2.gz UMPNROKGLJALBO-MRXNPFEDSA-N 1 1 384.307 2.477 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3Br)C[C@@H]21 ZINC000371543958 532948572 /nfs/dbraw/zinc/94/85/72/532948572.db2.gz CSTMJOYXMOITRB-HIFRSBDPSA-N 1 1 381.270 2.193 20 0 GEADMO COc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)sc1Br ZINC000371162307 532947129 /nfs/dbraw/zinc/94/71/29/532947129.db2.gz AMXKURNWAZDVBR-QWRGUYRKSA-N 1 1 389.315 2.190 20 0 GEADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000067381070 222146277 /nfs/dbraw/zinc/14/62/77/222146277.db2.gz WVJIXBJHSSFRSW-CVEARBPZSA-N 1 1 396.557 2.219 20 0 GEADMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443087 222147276 /nfs/dbraw/zinc/14/72/76/222147276.db2.gz KZBMBNRFOKVWEY-CQSZACIVSA-N 1 1 392.463 2.035 20 0 GEADMO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccsc3)C2)cc(=O)[nH]1 ZINC000275508478 570695193 /nfs/dbraw/zinc/69/51/93/570695193.db2.gz AVHRLGNRHFBHIE-CQSZACIVSA-N 1 1 376.486 2.048 20 0 GEADMO CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccsc3)C2)cc(=O)[nH]1 ZINC000275508478 570695199 /nfs/dbraw/zinc/69/51/99/570695199.db2.gz AVHRLGNRHFBHIE-CQSZACIVSA-N 1 1 376.486 2.048 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737878263 598833839 /nfs/dbraw/zinc/83/38/39/598833839.db2.gz OWGKGLVQSMSSFZ-SFHVURJKSA-N 1 1 378.436 2.349 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737878263 598833840 /nfs/dbraw/zinc/83/38/40/598833840.db2.gz OWGKGLVQSMSSFZ-SFHVURJKSA-N 1 1 378.436 2.349 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737878254 598834008 /nfs/dbraw/zinc/83/40/08/598834008.db2.gz OWGKGLVQSMSSFZ-GOSISDBHSA-N 1 1 378.436 2.349 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737878254 598834009 /nfs/dbraw/zinc/83/40/09/598834009.db2.gz OWGKGLVQSMSSFZ-GOSISDBHSA-N 1 1 378.436 2.349 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292039 598834503 /nfs/dbraw/zinc/83/45/03/598834503.db2.gz 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O=C(C[N@H+](CCO)[C@@H]1CCCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737862753 598917442 /nfs/dbraw/zinc/91/74/42/598917442.db2.gz BALKXXSXJOZYNN-LJQANCHMSA-N 1 1 392.463 2.177 20 0 GEADMO Cc1cc(N2CCC[C@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)nc(C)[nH+]1 ZINC000737270625 598940962 /nfs/dbraw/zinc/94/09/62/598940962.db2.gz DTZSVDGWAMXSOE-ZDUSSCGKSA-N 1 1 385.863 2.403 20 0 GEADMO O[C@H]1CCCC[C@H]1CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000738387649 598978668 /nfs/dbraw/zinc/97/86/68/598978668.db2.gz BZGDKQOTAUWGKR-BONVTDFDSA-N 1 1 390.394 2.401 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)CCOc1ccccc1F ZINC000737032634 598980820 /nfs/dbraw/zinc/98/08/20/598980820.db2.gz MWBNTKJURIDVMB-UHFFFAOYSA-N 1 1 387.415 2.404 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000737032134 598984949 /nfs/dbraw/zinc/98/49/49/598984949.db2.gz DPBXKWIZUXFPAT-HXUWFJFHSA-N 1 1 395.463 2.500 20 0 GEADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737371319 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c1nn2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)cnc2c1-c1nnn[n-]1 ZINC000738453010 598286354 /nfs/dbraw/zinc/28/63/54/598286354.db2.gz SODSPJBPNWTBHX-UHFFFAOYSA-N 1 1 383.504 2.045 20 0 GEADMO c1nn2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)cnc2c1-c1nn[n-]n1 ZINC000738453010 598286355 /nfs/dbraw/zinc/28/63/55/598286355.db2.gz SODSPJBPNWTBHX-UHFFFAOYSA-N 1 1 383.504 2.045 20 0 GEADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735685135 598299647 /nfs/dbraw/zinc/29/96/47/598299647.db2.gz PAERFCXNLWPBMB-HNNXBMFYSA-N 1 1 381.484 2.104 20 0 GEADMO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738099882 598301158 /nfs/dbraw/zinc/30/11/58/598301158.db2.gz JPRXJPDWPBGETF-SFHVURJKSA-N 1 1 380.427 2.287 20 0 GEADMO C[C@H]1CCC[C@@H]([N@@H+](C)CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736253976 598334552 /nfs/dbraw/zinc/33/45/52/598334552.db2.gz WZHXAVKHFUAFHS-GOEBONIOSA-N 1 1 397.483 2.099 20 0 GEADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706732 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ZINC000824046170 609374779 /nfs/dbraw/zinc/37/47/79/609374779.db2.gz QCOHAZZACPWCHK-HSMVNMDESA-N 1 1 392.891 2.330 20 0 GEADMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000824046171 609374796 /nfs/dbraw/zinc/37/47/96/609374796.db2.gz QCOHAZZACPWCHK-WQGACYEGSA-N 1 1 392.891 2.330 20 0 GEADMO COc1cccc([C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)c1 ZINC000826214468 609426928 /nfs/dbraw/zinc/42/69/28/609426928.db2.gz MQIDJIYPOWQKDU-HNNXBMFYSA-N 1 1 391.378 2.300 20 0 GEADMO C[C@@H]1CC[C@]2(CC[N@H+](CCS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC000824915320 609432287 /nfs/dbraw/zinc/43/22/87/609432287.db2.gz CSZNLLRXGGQJAU-KDOFPFPSSA-N 1 1 375.498 2.153 20 0 GEADMO C[C@@H]1CC[C@]2(CC[N@@H+](CCS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC000824915320 609432289 /nfs/dbraw/zinc/43/22/89/609432289.db2.gz CSZNLLRXGGQJAU-KDOFPFPSSA-N 1 1 375.498 2.153 20 0 GEADMO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000825511939 609439742 /nfs/dbraw/zinc/43/97/42/609439742.db2.gz MDFGMOXRXGCANE-UHFFFAOYSA-N 1 1 384.415 2.356 20 0 GEADMO CN(C)c1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000825875481 609442132 /nfs/dbraw/zinc/44/21/32/609442132.db2.gz QXHPHVRYOMAFNO-UHFFFAOYSA-N 1 1 392.511 2.036 20 0 GEADMO C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824479919 609456538 /nfs/dbraw/zinc/45/65/38/609456538.db2.gz RRCZDCWDXHEEOU-JXFKEZNVSA-N 1 1 390.491 2.436 20 0 GEADMO Cc1ccnc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313811 609531750 /nfs/dbraw/zinc/53/17/50/609531750.db2.gz URPRWTGCTDKTLD-SFHVURJKSA-N 1 1 392.511 2.361 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H]1C ZINC000825452139 609549874 /nfs/dbraw/zinc/54/98/74/609549874.db2.gz NXULQAPKUACCEX-WCQYABFASA-N 1 1 398.920 2.013 20 0 GEADMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000447089551 649997036 /nfs/dbraw/zinc/99/70/36/649997036.db2.gz WYSXAYYEKRUPKV-GJZGRUSLSA-N 1 1 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CC(C)[N@@H+](C)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000522440039 650625110 /nfs/dbraw/zinc/62/51/10/650625110.db2.gz WTKLMQXNBBBATM-UHFFFAOYSA-N 1 1 395.301 2.006 20 0 GEADMO C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000480734924 650630061 /nfs/dbraw/zinc/63/00/61/650630061.db2.gz FALBRDRSDFELKM-YOEHRIQHSA-N 1 1 380.330 2.276 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000480848745 650634651 /nfs/dbraw/zinc/63/46/51/650634651.db2.gz VAULCQIRDCHYQH-OTYXRUKQSA-N 1 1 377.279 2.349 20 0 GEADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000524607344 650644044 /nfs/dbraw/zinc/64/40/44/650644044.db2.gz VSLFKRWIKJZAJJ-UHFFFAOYSA-N 1 1 382.302 2.075 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000524696287 650645203 /nfs/dbraw/zinc/64/52/03/650645203.db2.gz CBZBDTHCPBYNHV-GFCCVEGCSA-N 1 1 384.958 2.430 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000525197312 650651446 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CNC(=O)C[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000482636768 650665767 /nfs/dbraw/zinc/66/57/67/650665767.db2.gz MOHGUAYTEQGGNX-UHFFFAOYSA-N 1 1 380.080 2.268 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)s2)[C@H](C)C1 ZINC000482702869 650667014 /nfs/dbraw/zinc/66/70/14/650667014.db2.gz AOJHYWWIRCTISB-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000527077619 650667930 /nfs/dbraw/zinc/66/79/30/650667930.db2.gz WVQUORQASLTZCV-UHFFFAOYSA-N 1 1 397.317 2.361 20 0 GEADMO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CCCOCC3)cc21 ZINC000527119366 650670013 /nfs/dbraw/zinc/67/00/13/650670013.db2.gz YERZXEXBEQYHDW-UHFFFAOYSA-N 1 1 396.285 2.391 20 0 GEADMO CCn1nccc1C[N@H+](CCO)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000482913623 650670670 /nfs/dbraw/zinc/67/06/70/650670670.db2.gz FZAHQZDPRCAVOH-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000482913623 650670671 /nfs/dbraw/zinc/67/06/71/650670671.db2.gz 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C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000483750552 650681507 /nfs/dbraw/zinc/68/15/07/650681507.db2.gz JJDDDYWRLXMVJL-GHMZBOCLSA-N 1 1 398.276 2.028 20 0 GEADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000483750552 650681510 /nfs/dbraw/zinc/68/15/10/650681510.db2.gz JJDDDYWRLXMVJL-GHMZBOCLSA-N 1 1 398.276 2.028 20 0 GEADMO O[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCCO1 ZINC000527758452 650682654 /nfs/dbraw/zinc/68/26/54/650682654.db2.gz VRSCBRTVYYTWHS-NWDGAFQWSA-N 1 1 380.080 2.236 20 0 GEADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccsc1C(F)(F)F ZINC000528356626 650690428 /nfs/dbraw/zinc/69/04/28/650690428.db2.gz PLYBCGWVQRUEBG-GFCCVEGCSA-N 1 1 377.432 2.439 20 0 GEADMO C[C@]1(Br)C[C@@H]1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000528430075 650693533 /nfs/dbraw/zinc/69/35/33/650693533.db2.gz VSIQPISNJGISJC-AEFFLSMTSA-N 1 1 396.329 2.306 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000485771102 650700096 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Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(=O)n1C ZINC000530026849 650710710 /nfs/dbraw/zinc/71/07/10/650710710.db2.gz JNGWAXUDWLCYTF-ZDUSSCGKSA-N 1 1 382.302 2.203 20 0 GEADMO COc1cc(CNC[C@@H]2COCC[NH2+]2)cc(Br)c1OC(F)F ZINC000530181940 650717260 /nfs/dbraw/zinc/71/72/60/650717260.db2.gz QPMZZDNMKMLCGO-SNVBAGLBSA-N 1 1 381.217 2.137 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1Br ZINC000486633242 650717398 /nfs/dbraw/zinc/71/73/98/650717398.db2.gz UYTPRELCBRYURK-CQSZACIVSA-N 1 1 391.331 2.418 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1Br ZINC000486633242 650717403 /nfs/dbraw/zinc/71/74/03/650717403.db2.gz UYTPRELCBRYURK-CQSZACIVSA-N 1 1 391.331 2.418 20 0 GEADMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000486771603 650721600 /nfs/dbraw/zinc/72/16/00/650721600.db2.gz KGGCYNJEYSBADR-UHFFFAOYSA-N 1 1 384.933 2.003 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Br)c3)[C@H]2C1 ZINC000486669567 650718696 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GEADMO C[C@H](C[NH2+]Cc1ccc(I)cc1Cl)S(C)(=O)=O ZINC000558603791 651283172 /nfs/dbraw/zinc/28/31/72/651283172.db2.gz HJJHHFHTKYCMPE-MRVPVSSYSA-N 1 1 387.670 2.467 20 0 GEADMO O=C(CCOc1ccc(Cl)cc1Br)N1CC[NH+](CCO)CC1 ZINC000531026158 650733618 /nfs/dbraw/zinc/73/36/18/650733618.db2.gz JBVRACIZUGPFEO-UHFFFAOYSA-N 1 1 391.693 2.008 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000487462590 650734119 /nfs/dbraw/zinc/73/41/19/650734119.db2.gz CJTRDUCGPWZPQW-CZUORRHYSA-N 1 1 384.318 2.436 20 0 GEADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000487770919 650737641 /nfs/dbraw/zinc/73/76/41/650737641.db2.gz OFXQTPGNJZVDLR-HNNXBMFYSA-N 1 1 388.295 2.500 20 0 GEADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1[nH]nc(C2CC2)c1Br ZINC000531665377 650742276 /nfs/dbraw/zinc/74/22/76/650742276.db2.gz XOTYPNNOPJWBRX-OLZOCXBDSA-N 1 1 397.317 2.423 20 0 GEADMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1[nH]nc(C2CC2)c1Br ZINC000531665378 650742395 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CC[N@@H+](CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)C ZINC000543938801 650928351 /nfs/dbraw/zinc/92/83/51/650928351.db2.gz IQGFKVFMDQCMRE-UHFFFAOYSA-N 1 1 384.274 2.240 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000545155453 650962897 /nfs/dbraw/zinc/96/28/97/650962897.db2.gz SWLIEFSYFFHYLB-MRXNPFEDSA-N 1 1 398.326 2.174 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000545162777 650963379 /nfs/dbraw/zinc/96/33/79/650963379.db2.gz PINZOSQCHRDGDC-CQSZACIVSA-N 1 1 381.782 2.469 20 0 GEADMO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000545162417 650963438 /nfs/dbraw/zinc/96/34/38/650963438.db2.gz KSHHSOQSSFXLCZ-MRXNPFEDSA-N 1 1 386.290 2.424 20 0 GEADMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC000183164745 644982629 /nfs/dbraw/zinc/98/26/29/644982629.db2.gz OHDAVXUCOGROTG-SHZVTRLKSA-N 1 1 380.539 2.484 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000183473351 644994878 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NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000662042334 652446258 /nfs/dbraw/zinc/44/62/58/652446258.db2.gz FFTKXEIEOZUVCB-ZDUSSCGKSA-N 1 1 385.917 2.438 20 0 GEADMO O[C@@]1(Cn2ccnn2)CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000582394256 652448609 /nfs/dbraw/zinc/44/86/09/652448609.db2.gz GMICKUQBRKCTIW-INIZCTEOSA-N 1 1 392.257 2.209 20 0 GEADMO O[C@@]1(Cn2ccnn2)CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000582394256 652448613 /nfs/dbraw/zinc/44/86/13/652448613.db2.gz GMICKUQBRKCTIW-INIZCTEOSA-N 1 1 392.257 2.209 20 0 GEADMO Cn1c2cc(Br)ccc2nc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150726 652449033 /nfs/dbraw/zinc/44/90/33/652449033.db2.gz ALFGDXUPWKAOMV-HNNXBMFYSA-N 1 1 393.329 2.367 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(CCOc3cc(F)cc(Br)c3)CC2)C1 ZINC000662151785 652449216 /nfs/dbraw/zinc/44/92/16/652449216.db2.gz LIBJLQXOZZUTQF-MRXNPFEDSA-N 1 1 387.293 2.498 20 0 GEADMO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662162111 652449957 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[NH3+][C@@H](C(=O)NCCCN1CCCCCC1=O)c1ccccc1Br ZINC000662343036 652456328 /nfs/dbraw/zinc/45/63/28/652456328.db2.gz NVUAORYXGNJDPB-MRXNPFEDSA-N 1 1 382.302 2.358 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1Br ZINC000662364461 652457612 /nfs/dbraw/zinc/45/76/12/652457612.db2.gz QAQVSLCPQGLPLE-QGZVFWFLSA-N 1 1 389.297 2.188 20 0 GEADMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662364380 652457617 /nfs/dbraw/zinc/45/76/17/652457617.db2.gz HXUNQWOVQHUABD-XJKCOSOUSA-N 1 1 398.345 2.453 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC2CC1(C)C2 ZINC000662381999 652458397 /nfs/dbraw/zinc/45/83/97/652458397.db2.gz BBKCOHIRTNBMIV-DLGFLZQMSA-N 1 1 385.917 2.402 20 0 GEADMO CCCC(=O)NC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662389390 652458769 /nfs/dbraw/zinc/45/87/69/652458769.db2.gz WVHSXASAZBMLFQ-INIZCTEOSA-N 1 1 382.302 2.356 20 0 GEADMO [NH3+][C@H](C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000662399434 652459171 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Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)C2 ZINC000662463927 652462577 /nfs/dbraw/zinc/46/25/77/652462577.db2.gz CVBPNNUJXVJGHJ-MLGOLLRUSA-N 1 1 375.270 2.221 20 0 GEADMO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]([NH3+])c1ccccc1Br)CC2 ZINC000662472836 652463207 /nfs/dbraw/zinc/46/32/07/652463207.db2.gz VPAOYBKIWLSUNC-BZUAXINKSA-N 1 1 397.313 2.227 20 0 GEADMO C[NH2+][C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662481577 652463720 /nfs/dbraw/zinc/46/37/20/652463720.db2.gz JQMCFNSGJHLISF-PVUWLOKVSA-N 1 1 386.323 2.433 20 0 GEADMO C[NH2+][C@H](C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662481576 652463765 /nfs/dbraw/zinc/46/37/65/652463765.db2.gz JQMCFNSGJHLISF-NUTKFTJISA-N 1 1 386.323 2.433 20 0 GEADMO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)n2)s1 ZINC000582908628 652466744 /nfs/dbraw/zinc/46/67/44/652466744.db2.gz CCGMAPYRNNQWDI-UHFFFAOYSA-N 1 1 381.527 2.278 20 0 GEADMO Cn1c(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)nnc1C1CC1 ZINC000662541544 652466764 /nfs/dbraw/zinc/46/67/64/652466764.db2.gz HQXPNOLYYJZHGN-UHFFFAOYSA-N 1 1 382.287 2.050 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662784314 652474319 /nfs/dbraw/zinc/47/43/19/652474319.db2.gz OJMHVZCRFZRZQU-YCPHGPKFSA-N 1 1 386.265 2.082 20 0 GEADMO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC000583181730 652475653 /nfs/dbraw/zinc/47/56/53/652475653.db2.gz YVBYNJHGTUQGNI-ZDUSSCGKSA-N 1 1 391.317 2.347 20 0 GEADMO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC000583181730 652475657 /nfs/dbraw/zinc/47/56/57/652475657.db2.gz YVBYNJHGTUQGNI-ZDUSSCGKSA-N 1 1 391.317 2.347 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc(C)c1Br ZINC000583180230 652475789 /nfs/dbraw/zinc/47/57/89/652475789.db2.gz WKCNFJMEUHJEID-NSHDSACASA-N 1 1 382.302 2.462 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662834868 652476110 /nfs/dbraw/zinc/47/61/10/652476110.db2.gz XDUQCTGARGWDGF-YOEHRIQHSA-N 1 1 390.281 2.341 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662834867 652476273 /nfs/dbraw/zinc/47/62/73/652476273.db2.gz XDUQCTGARGWDGF-WMLDXEAASA-N 1 1 390.281 2.341 20 0 GEADMO CCN1CCN(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000628969774 652476927 /nfs/dbraw/zinc/47/69/27/652476927.db2.gz YVXCMDMATRSNPT-KRWDZBQOSA-N 1 1 387.355 2.350 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@]12CCNC2=O)Nc1ccc(Br)cc1F ZINC000583211498 652477345 /nfs/dbraw/zinc/47/73/45/652477345.db2.gz AQSIXBSYAYVWEH-INIZCTEOSA-N 1 1 384.249 2.271 20 0 GEADMO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1Br ZINC000583253999 652478847 /nfs/dbraw/zinc/47/88/47/652478847.db2.gz KFBSWPHVUWRSBY-CQSZACIVSA-N 1 1 396.310 2.488 20 0 GEADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000629166754 652480340 /nfs/dbraw/zinc/48/03/40/652480340.db2.gz CREUUGINRBSEDD-SNVBAGLBSA-N 1 1 397.191 2.144 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000583396333 652483162 /nfs/dbraw/zinc/48/31/62/652483162.db2.gz OEXZGVMHWACQLQ-DVOMOZLQSA-N 1 1 396.329 2.095 20 0 GEADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000583449802 652485414 /nfs/dbraw/zinc/48/54/14/652485414.db2.gz XCVSWZHWBNXLRK-UHFFFAOYSA-N 1 1 387.933 2.324 20 0 GEADMO O=C1NCCN1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000583588223 652490687 /nfs/dbraw/zinc/49/06/87/652490687.db2.gz UXVVEKMWFQPGBL-AWEZNQCLSA-N 1 1 379.810 2.133 20 0 GEADMO O=C1NCCN1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000583588223 652490690 /nfs/dbraw/zinc/49/06/90/652490690.db2.gz UXVVEKMWFQPGBL-AWEZNQCLSA-N 1 1 379.810 2.133 20 0 GEADMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(=O)n1C ZINC000583620311 652491818 /nfs/dbraw/zinc/49/18/18/652491818.db2.gz DLUQZCMNRQGYQK-LBPRGKRZSA-N 1 1 396.329 2.403 20 0 GEADMO COc1cc(Br)ccc1[C@@H]1CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000629560099 652493138 /nfs/dbraw/zinc/49/31/38/652493138.db2.gz XGQINJPBMHOHMP-INIZCTEOSA-N 1 1 396.329 2.417 20 0 GEADMO CC[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(C)c1)CCC(F)(F)F ZINC000756239267 652494553 /nfs/dbraw/zinc/49/45/53/652494553.db2.gz GKIUCLRFQLPSQS-UHFFFAOYSA-N 1 1 380.798 2.372 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(C)c1)CCC(F)(F)F ZINC000756239267 652494557 /nfs/dbraw/zinc/49/45/57/652494557.db2.gz GKIUCLRFQLPSQS-UHFFFAOYSA-N 1 1 380.798 2.372 20 0 GEADMO C[NH+]1CCN(C(=O)c2ccc(CNc3cc(Br)cnn3)cc2)CC1 ZINC000663391905 652496493 /nfs/dbraw/zinc/49/64/93/652496493.db2.gz PAOHGDGTTGFXCG-UHFFFAOYSA-N 1 1 390.285 2.239 20 0 GEADMO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1 ZINC000583781624 652497046 /nfs/dbraw/zinc/49/70/46/652497046.db2.gz SRMVJYJIZONVDE-HNNXBMFYSA-N 1 1 390.571 2.269 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1 ZINC000583781624 652497048 /nfs/dbraw/zinc/49/70/48/652497048.db2.gz SRMVJYJIZONVDE-HNNXBMFYSA-N 1 1 390.571 2.269 20 0 GEADMO Brc1ccc2nnc(NC[C@]3([NH+]4CCOCC4)CCSC3)n2c1 ZINC000663417889 652497654 /nfs/dbraw/zinc/49/76/54/652497654.db2.gz ZJAGUURQRIXFGZ-OAHLLOKOSA-N 1 1 398.330 2.112 20 0 GEADMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCOCC1)CC2 ZINC000630044515 652501488 /nfs/dbraw/zinc/50/14/88/652501488.db2.gz ODNWWIINKWXSFH-OAHLLOKOSA-N 1 1 384.314 2.408 20 0 GEADMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@H](O)CC1(O)CCOCC1)CC2 ZINC000630044515 652501490 /nfs/dbraw/zinc/50/14/90/652501490.db2.gz ODNWWIINKWXSFH-OAHLLOKOSA-N 1 1 384.314 2.408 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000756840967 652507205 /nfs/dbraw/zinc/50/72/05/652507205.db2.gz FFSYIOOFJXMVGB-CZUORRHYSA-N 1 1 394.313 2.103 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000756840967 652507209 /nfs/dbraw/zinc/50/72/09/652507209.db2.gz FFSYIOOFJXMVGB-CZUORRHYSA-N 1 1 394.313 2.103 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCN1CCC1 ZINC000584123975 652510359 /nfs/dbraw/zinc/51/03/59/652510359.db2.gz PBGOOSHVMJPQEW-ZDUSSCGKSA-N 1 1 384.318 2.148 20 0 GEADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc2ccc(Br)cn21 ZINC000663742623 652510823 /nfs/dbraw/zinc/51/08/23/652510823.db2.gz QQYRFFCTSAIGPI-UHFFFAOYSA-N 1 1 382.306 2.286 20 0 GEADMO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[N@@H+](C)C1 ZINC000663829623 652512399 /nfs/dbraw/zinc/51/23/99/652512399.db2.gz SFJHJKWSDIYESS-CYBMUJFWSA-N 1 1 398.301 2.456 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000584206260 652513168 /nfs/dbraw/zinc/51/31/68/652513168.db2.gz DEBGJKOSSGNNER-JTQLQIEISA-N 1 1 378.420 2.352 20 0 GEADMO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000630798838 652516634 /nfs/dbraw/zinc/51/66/34/652516634.db2.gz OUVSURJOJAJEIW-LSDHHAIUSA-N 1 1 382.302 2.025 20 0 GEADMO COc1cc(Br)c(NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000630808399 652516997 /nfs/dbraw/zinc/51/69/97/652516997.db2.gz QDQDADBMWCBYEX-NSHDSACASA-N 1 1 387.274 2.373 20 0 GEADMO Brc1ccc2nnc(N3CCC([N@H+]4CCCOCC4)CC3)n2c1 ZINC000664009215 652518075 /nfs/dbraw/zinc/51/80/75/652518075.db2.gz SRYMBXBMEBIGEV-UHFFFAOYSA-N 1 1 380.290 2.183 20 0 GEADMO NS(=O)(=O)c1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000631094175 652519629 /nfs/dbraw/zinc/51/96/29/652519629.db2.gz TWMLMFSHRWEXHE-UHFFFAOYSA-N 1 1 380.853 2.495 20 0 GEADMO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Cl)O1 ZINC000631108503 652520325 /nfs/dbraw/zinc/52/03/25/652520325.db2.gz XKAUDSJAIAFFII-MFKMUULPSA-N 1 1 376.682 2.223 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)COc2ccc(Br)cn2)C1 ZINC000631585806 652528012 /nfs/dbraw/zinc/52/80/12/652528012.db2.gz BRLJXBWWLXMITQ-CQSZACIVSA-N 1 1 382.302 2.413 20 0 GEADMO NC(=O)c1cc(Cl)nnc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000758124658 652531123 /nfs/dbraw/zinc/53/11/23/652531123.db2.gz GCWNGIOIWWRNGB-CYBMUJFWSA-N 1 1 377.901 2.258 20 0 GEADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](N)c3cscn3)CC2)cs1 ZINC000584837822 652531322 /nfs/dbraw/zinc/53/13/22/652531322.db2.gz KHRAYMBPPRBMBV-MRXNPFEDSA-N 1 1 379.555 2.190 20 0 GEADMO O[C@H]1CC[N@H+](C2CCN(c3ncnc4cc(Br)sc43)CC2)C1 ZINC000664598059 652531483 /nfs/dbraw/zinc/53/14/83/652531483.db2.gz SARNGIGTRUJEMX-NSHDSACASA-N 1 1 383.315 2.489 20 0 GEADMO O=C1N=NCN1C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000584877583 652532646 /nfs/dbraw/zinc/53/26/46/652532646.db2.gz AFGWWGVSGUARBY-UHFFFAOYSA-N 1 1 395.257 2.355 20 0 GEADMO O=S(=O)(Cc1ncsc1Br)N1CC[NH+](C2CCCC2)CC1 ZINC000631719653 652533045 /nfs/dbraw/zinc/53/30/45/652533045.db2.gz ZRCSJMJMLSXRHB-UHFFFAOYSA-N 1 1 394.360 2.296 20 0 GEADMO CN(C(=O)c1ccnc(Br)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000758224382 652533992 /nfs/dbraw/zinc/53/39/92/652533992.db2.gz BCCZQSVAKQHRHP-HNNXBMFYSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccnc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000758224382 652533996 /nfs/dbraw/zinc/53/39/96/652533996.db2.gz BCCZQSVAKQHRHP-HNNXBMFYSA-N 1 1 381.318 2.085 20 0 GEADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)COc2ccccc2Br)CC[N@H+]1C ZINC000631883539 652537645 /nfs/dbraw/zinc/53/76/45/652537645.db2.gz GPGHNBCDADEWIZ-VNHYZAJKSA-N 1 1 385.302 2.035 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000758339287 652537966 /nfs/dbraw/zinc/53/79/66/652537966.db2.gz WEHMKUFWOLNVHO-SMDDNHRTSA-N 1 1 390.285 2.242 20 0 GEADMO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000631936063 652542139 /nfs/dbraw/zinc/54/21/39/652542139.db2.gz RNATUWGAHCFHHW-LLVKDONJSA-N 1 1 394.806 2.417 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)CC2(OC)CCCC2)[C@@H](C)C1 ZINC000631977763 652543899 /nfs/dbraw/zinc/54/38/99/652543899.db2.gz VKFQKXBVSAMCDS-DLBZAZTESA-N 1 1 376.563 2.002 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000631987747 652545250 /nfs/dbraw/zinc/54/52/50/652545250.db2.gz NPMURFDLUZCOST-BZZMCLGOSA-N 1 1 393.325 2.250 20 0 GEADMO OC[C@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCOC1 ZINC000665194244 652547222 /nfs/dbraw/zinc/54/72/22/652547222.db2.gz PWZVEBJMZZDFHV-UWVGGRQHSA-N 1 1 388.287 2.438 20 0 GEADMO COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000588311056 652551823 /nfs/dbraw/zinc/55/18/23/652551823.db2.gz IIXLFSRDNKKFEI-HZPDHXFCSA-N 1 1 382.302 2.279 20 0 GEADMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000588839242 652556416 /nfs/dbraw/zinc/55/64/16/652556416.db2.gz YOFOUHGZJMRZQZ-CJNGLKHVSA-N 1 1 385.302 2.443 20 0 GEADMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000588839242 652556419 /nfs/dbraw/zinc/55/64/19/652556419.db2.gz YOFOUHGZJMRZQZ-CJNGLKHVSA-N 1 1 385.302 2.443 20 0 GEADMO C[C@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000759025593 652560263 /nfs/dbraw/zinc/56/02/63/652560263.db2.gz HJSCMLJMSBTVHO-XZJROXQQSA-N 1 1 390.311 2.435 20 0 GEADMO C[C@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000759025593 652560269 /nfs/dbraw/zinc/56/02/69/652560269.db2.gz HJSCMLJMSBTVHO-XZJROXQQSA-N 1 1 390.311 2.435 20 0 GEADMO O=S(=O)(CCN1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000589154995 652561124 /nfs/dbraw/zinc/56/11/24/652561124.db2.gz PUGWCEVXXHKXDM-OAHLLOKOSA-N 1 1 387.343 2.393 20 0 GEADMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3ccc(S(N)(=O)=O)s3)c2C1 ZINC000589572212 652569043 /nfs/dbraw/zinc/56/90/43/652569043.db2.gz OGCRZVKTBFYNJY-UHFFFAOYSA-N 1 1 379.507 2.302 20 0 GEADMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3ccc(S(N)(=O)=O)s3)c2C1 ZINC000589572212 652569045 /nfs/dbraw/zinc/56/90/45/652569045.db2.gz OGCRZVKTBFYNJY-UHFFFAOYSA-N 1 1 379.507 2.302 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000590116000 652575160 /nfs/dbraw/zinc/57/51/60/652575160.db2.gz POMUZSTYPWJBLA-AWEZNQCLSA-N 1 1 385.295 2.411 20 0 GEADMO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000590747934 652579440 /nfs/dbraw/zinc/57/94/40/652579440.db2.gz DFEAGDFJSSMMSH-YNEHKIRRSA-N 1 1 388.452 2.005 20 0 GEADMO C[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000633128974 652586969 /nfs/dbraw/zinc/58/69/69/652586969.db2.gz IEDZQTOCKZLJNA-IINYFYTJSA-N 1 1 377.819 2.460 20 0 GEADMO C[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1 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C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791333983 653809367 /nfs/dbraw/zinc/80/93/67/653809367.db2.gz UHLJNPWXHCZUKB-LZWOXQAQSA-N 1 1 396.329 2.487 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2cccnc2Br)C[C@H](C)O1 ZINC000791333983 653809369 /nfs/dbraw/zinc/80/93/69/653809369.db2.gz UHLJNPWXHCZUKB-LZWOXQAQSA-N 1 1 396.329 2.487 20 0 GEADMO COc1cc(NC(=O)C[NH2+]Cc2ncc(Br)cc2O)cc(OC)c1 ZINC000894989916 653811437 /nfs/dbraw/zinc/81/14/37/653811437.db2.gz PHOSXIOKMNOPDW-UHFFFAOYSA-N 1 1 396.241 2.295 20 0 GEADMO CON(C)C(=O)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000895040780 653814283 /nfs/dbraw/zinc/81/42/83/653814283.db2.gz IQNYQJBQQTYVIP-UHFFFAOYSA-N 1 1 381.274 2.361 20 0 GEADMO CC(C)[C@H](CNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000822316460 653822779 /nfs/dbraw/zinc/82/27/79/653822779.db2.gz FCPITYJNFXCCRQ-JKSUJKDBSA-N 1 1 375.296 2.500 20 0 GEADMO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000866771925 653822980 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653835903 /nfs/dbraw/zinc/83/59/03/653835903.db2.gz NAXQUXFOLMYQGQ-ZDUSSCGKSA-N 1 1 394.298 2.493 20 0 GEADMO Cc1nc(C)c(CC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000895468363 653836840 /nfs/dbraw/zinc/83/68/40/653836840.db2.gz TZKOFTUMBKAFAE-OAHLLOKOSA-N 1 1 378.567 2.469 20 0 GEADMO C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000883452843 653840244 /nfs/dbraw/zinc/84/02/44/653840244.db2.gz FLZHUQBHDUWVFY-RZLSGREXSA-N 1 1 385.555 2.006 20 0 GEADMO COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000883475581 653842115 /nfs/dbraw/zinc/84/21/15/653842115.db2.gz ZMGGIPSWHKDKLP-OAHLLOKOSA-N 1 1 381.885 2.387 20 0 GEADMO CC(C)N1CC[NH+](CCCOC(=O)c2nscc2Br)CC1 ZINC000845313216 653843107 /nfs/dbraw/zinc/84/31/07/653843107.db2.gz XJUXEOPHKSBDKZ-UHFFFAOYSA-N 1 1 376.320 2.479 20 0 GEADMO CN(C)c1nc(Cl)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000822891645 653844914 /nfs/dbraw/zinc/84/49/14/653844914.db2.gz AQOCIWIUMFTHGY-UHFFFAOYSA-N 1 1 385.965 2.151 20 0 GEADMO COc1ccc(C[N@H+](CCO)Cc2cnn3cc(Br)cnc23)cc1 ZINC000895710526 653847156 /nfs/dbraw/zinc/84/71/56/653847156.db2.gz IVYIKUDTGYTISB-UHFFFAOYSA-N 1 1 391.269 2.495 20 0 GEADMO COc1ccc(C[N@@H+](CCO)Cc2cnn3cc(Br)cnc23)cc1 ZINC000895710526 653847157 /nfs/dbraw/zinc/84/71/57/653847157.db2.gz IVYIKUDTGYTISB-UHFFFAOYSA-N 1 1 391.269 2.495 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)c1csc(I)n1 ZINC000822987025 653848960 /nfs/dbraw/zinc/84/89/60/653848960.db2.gz KLYKKIPCJXPWGX-UHFFFAOYSA-N 1 1 376.223 2.073 20 0 GEADMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2csc(I)c2)no1 ZINC000823016338 653850375 /nfs/dbraw/zinc/85/03/75/653850375.db2.gz SKEZLUSYDGGVSK-SSDOTTSWSA-N 1 1 393.206 2.356 20 0 GEADMO O=C(NCCc1sccc1Br)NCC[N@H+]1CCCOCC1 ZINC000883710164 653851360 /nfs/dbraw/zinc/85/13/60/653851360.db2.gz CMHJMNZNQMRSRB-UHFFFAOYSA-N 1 1 376.320 2.075 20 0 GEADMO Cc1nc(SC(F)F)sc1CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000792848955 653854220 /nfs/dbraw/zinc/85/42/20/653854220.db2.gz JWRVVBVGDMXMGT-UHFFFAOYSA-N 1 1 378.514 2.062 20 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/nfs/dbraw/zinc/85/73/52/653857352.db2.gz RLOZNJVEJJNOBP-DGCLKSJQSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)nc1Br ZINC000792984763 653859261 /nfs/dbraw/zinc/85/92/61/653859261.db2.gz JMYRKGHPWGTMJS-UHFFFAOYSA-N 1 1 397.317 2.472 20 0 GEADMO FC(F)(F)c1nc(CN[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC000896031231 653861514 /nfs/dbraw/zinc/86/15/14/653861514.db2.gz SCYWTKMHMKLHHZ-CYBMUJFWSA-N 1 1 378.464 2.048 20 0 GEADMO Brc1c(-c2ccccc2)n[nH]c1-c1nc(N2CC[NH2+]CC2)no1 ZINC000823314442 653862276 /nfs/dbraw/zinc/86/22/76/653862276.db2.gz DLBRFBGWDMTMFB-UHFFFAOYSA-N 1 1 375.230 2.299 20 0 GEADMO [NH3+]Cc1ocnc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000884071617 653862412 /nfs/dbraw/zinc/86/24/12/653862412.db2.gz AKOSTKNEXLGGQM-UHFFFAOYSA-N 1 1 383.235 2.038 20 0 GEADMO CN(CC(=O)OC[C@@]12CC[N@@H+](C1)CCC2)C(=O)c1ccc(Br)o1 ZINC000845796470 653863897 /nfs/dbraw/zinc/86/38/97/653863897.db2.gz WYRCAMDJIVRGOC-INIZCTEOSA-N 1 1 385.258 2.143 20 0 GEADMO 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COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000903575078 654259315 /nfs/dbraw/zinc/25/93/15/654259315.db2.gz CVWJEQZUCZLJEC-NSHDSACASA-N 1 1 397.722 2.102 20 0 GEADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000903575835 654259602 /nfs/dbraw/zinc/25/96/02/654259602.db2.gz DQLMRPWUKXTIMF-LLVKDONJSA-N 1 1 386.823 2.358 20 0 GEADMO COC(=O)c1cnc([C@@H]2CCC[N@H+](CCCNC(=O)C(F)(F)F)C2)s1 ZINC000852774173 654260306 /nfs/dbraw/zinc/26/03/06/654260306.db2.gz PJXGAWFPYRRIKV-SNVBAGLBSA-N 1 1 379.404 2.178 20 0 GEADMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCCNC(=O)C(F)(F)F)C2)s1 ZINC000852774173 654260310 /nfs/dbraw/zinc/26/03/10/654260310.db2.gz PJXGAWFPYRRIKV-SNVBAGLBSA-N 1 1 379.404 2.178 20 0 GEADMO CC(C)N1C(=S)N=NC1CCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000852804486 654261320 /nfs/dbraw/zinc/26/13/20/654261320.db2.gz QKLDDAHUGIUVGL-ZDUSSCGKSA-N 1 1 398.330 2.269 20 0 GEADMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000921406549 654263832 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CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000891308479 654281205 /nfs/dbraw/zinc/28/12/05/654281205.db2.gz OLBWUHYPPUGRBE-VIFPVBQESA-N 1 1 379.766 2.388 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000891308479 654281210 /nfs/dbraw/zinc/28/12/10/654281210.db2.gz OLBWUHYPPUGRBE-VIFPVBQESA-N 1 1 379.766 2.388 20 0 GEADMO COC(=O)[C@@H](Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1Br ZINC000871926790 654281535 /nfs/dbraw/zinc/28/15/35/654281535.db2.gz LGRBNWFUSVPNOG-HNNXBMFYSA-N 1 1 379.258 2.417 20 0 GEADMO CN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832681144 654287444 /nfs/dbraw/zinc/28/74/44/654287444.db2.gz ZNQUZSLHSQNHDJ-GFCCVEGCSA-N 1 1 383.208 2.435 20 0 GEADMO CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832681144 654287448 /nfs/dbraw/zinc/28/74/48/654287448.db2.gz ZNQUZSLHSQNHDJ-GFCCVEGCSA-N 1 1 383.208 2.435 20 0 GEADMO C[N@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000832680143 654287480 /nfs/dbraw/zinc/28/74/80/654287480.db2.gz OGCXHEZVMHQEDD-SJORKVTESA-N 1 1 397.313 2.194 20 0 GEADMO C[N@@H+](C[C@H](O)c1ccccc1Br)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000832680143 654287488 /nfs/dbraw/zinc/28/74/88/654287488.db2.gz OGCXHEZVMHQEDD-SJORKVTESA-N 1 1 397.313 2.194 20 0 GEADMO C[NH+]1CCN([C@@H](CNC(=O)NCC2SCCS2)c2cccs2)CC1 ZINC000853235411 654288497 /nfs/dbraw/zinc/28/84/97/654288497.db2.gz OUGMRSVCMUTNNH-ZDUSSCGKSA-N 1 1 386.612 2.142 20 0 GEADMO Fc1ncnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000853244974 654289064 /nfs/dbraw/zinc/28/90/64/654289064.db2.gz SBKUJHFIJADMGK-UHFFFAOYSA-N 1 1 395.280 2.397 20 0 GEADMO O=C(N1CCC[C@@H]([C@H]2CCCC[N@H+]2CN2CCOC2=S)C1)C(F)(F)F ZINC000853545433 654302604 /nfs/dbraw/zinc/30/26/04/654302604.db2.gz FLBCGDAXFTZSES-CHWSQXEVSA-N 1 1 379.448 2.216 20 0 GEADMO COc1cc(Br)c(C[NH2+]Cc2cnc3n2CCOC3)cc1OC ZINC000921694331 654305819 /nfs/dbraw/zinc/30/58/19/654305819.db2.gz UPITUPURGPGAOB-UHFFFAOYSA-N 1 1 382.258 2.483 20 0 GEADMO COc1cc(Br)c(NC(=O)Nc2cc3n(n2)CC[NH2+]C3)cc1OC ZINC000904309482 654307273 /nfs/dbraw/zinc/30/72/73/654307273.db2.gz LYPDOITXNPXWDD-UHFFFAOYSA-N 1 1 396.245 2.410 20 0 GEADMO O=C1CCCN1C[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853596015 654307778 /nfs/dbraw/zinc/30/77/78/654307778.db2.gz WUFSARPXWMNDDU-LBPRGKRZSA-N 1 1 394.269 2.259 20 0 GEADMO O=C1CCCN1C[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853596015 654307784 /nfs/dbraw/zinc/30/77/84/654307784.db2.gz WUFSARPXWMNDDU-LBPRGKRZSA-N 1 1 394.269 2.259 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000833833780 654309652 /nfs/dbraw/zinc/30/96/52/654309652.db2.gz OPGLFYIZTRAHSV-IOASZLSFSA-N 1 1 376.328 2.019 20 0 GEADMO COc1cc(OC)c(NC(=O)Nc2cc3n(n2)CC[NH2+]C3)cc1Br ZINC000904428891 654310206 /nfs/dbraw/zinc/31/02/06/654310206.db2.gz QZDKYAIKZSKGQQ-UHFFFAOYSA-N 1 1 396.245 2.410 20 0 GEADMO CCN(CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000891857211 654315220 /nfs/dbraw/zinc/31/52/20/654315220.db2.gz RWHNKHHDBMCJOW-MNOVXSKESA-N 1 1 378.361 2.039 20 0 GEADMO CCOC(=O)c1cn(CCCn2cc[nH+]c2C)nc1I ZINC000853707758 654316778 /nfs/dbraw/zinc/31/67/78/654316778.db2.gz SICZAEMPEDLNMW-UHFFFAOYSA-N 1 1 388.209 2.260 20 0 GEADMO Cc1nonc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000872250341 654319957 /nfs/dbraw/zinc/31/99/57/654319957.db2.gz GXTGIRFEPOIGNL-SNVBAGLBSA-N 1 1 376.638 2.323 20 0 GEADMO CCOC(=O)[C@H](F)C1C[NH+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000834377522 654320739 /nfs/dbraw/zinc/32/07/39/654320739.db2.gz DZVGCLNJEBDGRX-UKRRQHHQSA-N 1 1 390.249 2.022 20 0 GEADMO CSc1ncc2c(ccnc2NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000891967203 654321103 /nfs/dbraw/zinc/32/11/03/654321103.db2.gz XYZDAJYVZZXXQC-KRWDZBQOSA-N 1 1 377.539 2.367 20 0 GEADMO O=C1CC2(CCOCC2)[N@@H+](Cc2nc3ccc(Br)cc3o2)CCN1 ZINC000872285562 654321803 /nfs/dbraw/zinc/32/18/03/654321803.db2.gz XGVMSHXTXYMWDB-UHFFFAOYSA-N 1 1 394.269 2.461 20 0 GEADMO O=C(C[N@@H+]1CCNC(=O)CC12CCOCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000872286430 654321863 /nfs/dbraw/zinc/32/18/63/654321863.db2.gz HRUQJJFHBJAEJB-UHFFFAOYSA-N 1 1 386.279 2.303 20 0 GEADMO O=C(C[N@H+]1CCNC(=O)CC12CCOCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000872286430 654321866 /nfs/dbraw/zinc/32/18/66/654321866.db2.gz HRUQJJFHBJAEJB-UHFFFAOYSA-N 1 1 386.279 2.303 20 0 GEADMO O=C(NCc1ccc(Br)s1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892006908 654323478 /nfs/dbraw/zinc/32/34/78/654323478.db2.gz ASBGWNMVPGUBJA-QWHCGFSZSA-N 1 1 388.331 2.251 20 0 GEADMO O=C(NCc1cc(Br)cs1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892033934 654325889 /nfs/dbraw/zinc/32/58/89/654325889.db2.gz XIQBNMNAZIWOGA-UONOGXRCSA-N 1 1 388.331 2.251 20 0 GEADMO O=C(NCc1csc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892034681 654325994 /nfs/dbraw/zinc/32/59/94/654325994.db2.gz RIDDTEZABIYWNL-QWHCGFSZSA-N 1 1 388.331 2.251 20 0 GEADMO C[C@@H]1CN(Cc2ncc(Br)cc2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892151575 654331134 /nfs/dbraw/zinc/33/11/34/654331134.db2.gz AEVGADRVOLGARI-CJNGLKHVSA-N 1 1 383.334 2.008 20 0 GEADMO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872432715 654333507 /nfs/dbraw/zinc/33/35/07/654333507.db2.gz DHULRLSAHATMFF-DEOSSOPVSA-N 1 1 391.559 2.317 20 0 GEADMO C[N@@H+](CCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)Cc1ccccc1 ZINC000872431948 654333580 /nfs/dbraw/zinc/33/35/80/654333580.db2.gz JGPOLBIYCOZLTE-QHCPKHFHSA-N 1 1 375.560 2.239 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2C)[C@@H](C)C1 ZINC000805005780 654334149 /nfs/dbraw/zinc/33/41/49/654334149.db2.gz UESZKNARZITXEK-ZFWWWQNUSA-N 1 1 389.949 2.459 20 0 GEADMO C[C@@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555461 654334309 /nfs/dbraw/zinc/33/43/09/654334309.db2.gz WNNBKDKROSBCPZ-VXGBXAGGSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555461 654334312 /nfs/dbraw/zinc/33/43/12/654334312.db2.gz WNNBKDKROSBCPZ-VXGBXAGGSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555458 654334433 /nfs/dbraw/zinc/33/44/33/654334433.db2.gz WNNBKDKROSBCPZ-NEPJUHHUSA-N 1 1 389.363 2.499 20 0 GEADMO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1nc(Br)cs1 ZINC000834555458 654334439 /nfs/dbraw/zinc/33/44/39/654334439.db2.gz WNNBKDKROSBCPZ-NEPJUHHUSA-N 1 1 389.363 2.499 20 0 GEADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NCc2nc(Br)c[nH]2)c1 ZINC000921875730 654336238 /nfs/dbraw/zinc/33/62/38/654336238.db2.gz ANZUTYNHDXULCI-CYBMUJFWSA-N 1 1 378.274 2.234 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000921908605 654340421 /nfs/dbraw/zinc/34/04/21/654340421.db2.gz KPRYPJJOUCOMCL-NSHDSACASA-N 1 1 395.344 2.042 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000921908605 654340424 /nfs/dbraw/zinc/34/04/24/654340424.db2.gz KPRYPJJOUCOMCL-NSHDSACASA-N 1 1 395.344 2.042 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)c2csc(I)n2)[C@@H](C)C[N@H+]1C ZINC000892353057 654342263 /nfs/dbraw/zinc/34/22/63/654342263.db2.gz KOGAHBXSZUTIJN-YIZRAAEISA-N 1 1 379.267 2.301 20 0 GEADMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872459079 654342909 /nfs/dbraw/zinc/34/29/09/654342909.db2.gz QAJCMMWFHUXDAB-CYBMUJFWSA-N 1 1 388.331 2.197 20 0 GEADMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872459749 654342999 /nfs/dbraw/zinc/34/29/99/654342999.db2.gz WSBRVLWUKQUOQX-LBPRGKRZSA-N 1 1 385.917 2.235 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000892365086 654343258 /nfs/dbraw/zinc/34/32/58/654343258.db2.gz NKKJLRINVRAGJG-GXTWGEPZSA-N 1 1 396.285 2.066 20 0 GEADMO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)nc12 ZINC000921938803 654345177 /nfs/dbraw/zinc/34/51/77/654345177.db2.gz JTIKKXXUWQTXHP-SWLSCSKDSA-N 1 1 394.317 2.340 20 0 GEADMO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1nn(C)cc1Br ZINC000905273873 654346832 /nfs/dbraw/zinc/34/68/32/654346832.db2.gz QARMDRSYSKFGTK-BLLLJJGKSA-N 1 1 388.306 2.147 20 0 GEADMO O=C(NCc1sccc1Br)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892499911 654348894 /nfs/dbraw/zinc/34/88/94/654348894.db2.gz ADNFUZABZQKLBE-STQMWFEESA-N 1 1 388.331 2.251 20 0 GEADMO CN1CC[NH+](CCCNC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000905336502 654351353 /nfs/dbraw/zinc/35/13/53/654351353.db2.gz QODMWNBIFNKOHR-UHFFFAOYSA-N 1 1 388.737 2.399 20 0 GEADMO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854353896 654354880 /nfs/dbraw/zinc/35/48/80/654354880.db2.gz IWQSOJRMZCDGFN-OAHLLOKOSA-N 1 1 382.599 2.248 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000835034022 654358416 /nfs/dbraw/zinc/35/84/16/654358416.db2.gz ZJRNSNIVWXOPPJ-CYBMUJFWSA-N 1 1 397.317 2.472 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Br)n2)C1 ZINC000872503702 654358862 /nfs/dbraw/zinc/35/88/62/654358862.db2.gz RZJSTCNZLMCNLL-LLVKDONJSA-N 1 1 376.320 2.243 20 0 GEADMO CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC[N@@H+](C)CC1 ZINC000892723149 654361225 /nfs/dbraw/zinc/36/12/25/654361225.db2.gz 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COCCOc1c(Cl)cc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cc1Cl ZINC000907217931 654520948 /nfs/dbraw/zinc/52/09/48/654520948.db2.gz SWNIOUIGJMPOEB-UHFFFAOYSA-N 1 1 390.311 2.451 20 0 GEADMO CCc1nc(C[NH+]2CCC(CN3C(=O)N[C@@H](CSC)C3=O)CC2)cs1 ZINC000924616007 654521799 /nfs/dbraw/zinc/52/17/99/654521799.db2.gz FIYHWGHHVBZRBL-AWEZNQCLSA-N 1 1 382.555 2.201 20 0 GEADMO O=C(NCc1cc(Br)ccc1Cl)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000924713589 654523015 /nfs/dbraw/zinc/52/30/15/654523015.db2.gz QTQKOQQSRNTVFO-CYBMUJFWSA-N 1 1 388.693 2.063 20 0 GEADMO O=C(NCc1cc(Br)ccc1Cl)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000924713589 654523017 /nfs/dbraw/zinc/52/30/17/654523017.db2.gz QTQKOQQSRNTVFO-CYBMUJFWSA-N 1 1 388.693 2.063 20 0 GEADMO C[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1=CC[N@@H+](C)CC1 ZINC000907282198 654527556 /nfs/dbraw/zinc/52/75/56/654527556.db2.gz MKKAJWVBVJIZSS-BZNIZROVSA-N 1 1 393.281 2.297 20 0 GEADMO C[C@@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000924888032 654527892 /nfs/dbraw/zinc/52/78/92/654527892.db2.gz VOVWRWWFNKPLQL-YOEHRIQHSA-N 1 1 378.270 2.453 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924966876 654530041 /nfs/dbraw/zinc/53/00/41/654530041.db2.gz UYAABCPMOHYCOK-CJNGLKHVSA-N 1 1 395.345 2.399 20 0 GEADMO CC[N@H+]1CC[C@H]1CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000925098846 654533886 /nfs/dbraw/zinc/53/38/86/654533886.db2.gz WBUSASDXOFIHCF-SWLSCSKDSA-N 1 1 378.270 2.232 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)c3c[nH]c(=O)s3)C2)s1 ZINC000907347531 654534504 /nfs/dbraw/zinc/53/45/04/654534504.db2.gz SKJASNVUBYOBRT-LBPRGKRZSA-N 1 1 387.552 2.361 20 0 GEADMO CNC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1Cl ZINC000925143423 654534690 /nfs/dbraw/zinc/53/46/90/654534690.db2.gz KDVDSUHVCCLNPB-CABCVRRESA-N 1 1 382.917 2.401 20 0 GEADMO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925160123 654535342 /nfs/dbraw/zinc/53/53/42/654535342.db2.gz AFPCISOGPAGMKO-XHSDSOJGSA-N 1 1 387.908 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ZINC000907385501 654538259 /nfs/dbraw/zinc/53/82/59/654538259.db2.gz KXMJUFXXLDQWIB-UHFFFAOYSA-N 1 1 377.251 2.130 20 0 GEADMO COCC[N@@H+](C)CCCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000925287604 654539583 /nfs/dbraw/zinc/53/95/83/654539583.db2.gz RGKDHHDVRZPPJK-CQSZACIVSA-N 1 1 384.274 2.010 20 0 GEADMO COc1ccc(Br)c([C@@H]2C(=O)N([C@@H]3CCC[N@@H+](C)C3)C(=O)N2C)c1 ZINC000925290123 654539611 /nfs/dbraw/zinc/53/96/11/654539611.db2.gz AUSQDGYTLSHLNJ-IAQYHMDHSA-N 1 1 396.285 2.487 20 0 GEADMO C[N@H+]1CCC[C@@H]1CN1C(=O)N[C@@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000925288034 654539721 /nfs/dbraw/zinc/53/97/21/654539721.db2.gz BECDXBQQVQOAPK-CRAIPNDOSA-N 1 1 392.297 2.323 20 0 GEADMO COCC[N@@H+](C)CCCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000925287650 654539739 /nfs/dbraw/zinc/53/97/39/654539739.db2.gz RIXNILDNKBWPLT-UHFFFAOYSA-N 1 1 398.301 2.182 20 0 GEADMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000907424786 654541856 /nfs/dbraw/zinc/54/18/56/654541856.db2.gz GKAWFDOJCGQNRL-KRWDZBQOSA-N 1 1 380.286 2.393 20 0 GEADMO CC[C@@H](Sc1nc(CC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cs1)C(N)=O ZINC000907433510 654543038 /nfs/dbraw/zinc/54/30/38/654543038.db2.gz VQKQHPJCJZREJD-GXTWGEPZSA-N 1 1 384.571 2.031 20 0 GEADMO C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(C[NH+](C)C)c1 ZINC000925608458 654546664 /nfs/dbraw/zinc/54/66/64/654546664.db2.gz YLCLIABZEYITMG-RHSMWYFYSA-N 1 1 382.551 2.295 20 0 GEADMO CN1CC[N@@H+](C)CC(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 ZINC000907550431 654557086 /nfs/dbraw/zinc/55/70/86/654557086.db2.gz VWWGIMNEEFKBQB-UHFFFAOYSA-N 1 1 379.917 2.214 20 0 GEADMO Cc1c(Br)cncc1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926143448 654560722 /nfs/dbraw/zinc/56/07/22/654560722.db2.gz RLTSHYAJTWOGOZ-CBZIJGRNSA-N 1 1 396.329 2.362 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ncccc1Br)C2 ZINC000926156660 654561283 /nfs/dbraw/zinc/56/12/83/654561283.db2.gz TXIAOSGQOAPGOS-LNCBFAARSA-N 1 1 382.302 2.054 20 0 GEADMO CO[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)s1 ZINC000907618776 654561429 /nfs/dbraw/zinc/56/14/29/654561429.db2.gz XUVUQMSDKUFCLW-CYBMUJFWSA-N 1 1 377.304 2.037 20 0 GEADMO CO[C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccc(Br)s1 ZINC000907618776 654561432 /nfs/dbraw/zinc/56/14/32/654561432.db2.gz XUVUQMSDKUFCLW-CYBMUJFWSA-N 1 1 377.304 2.037 20 0 GEADMO O=C(Cc1cc(Br)ccc1Cl)NCC[N@H+]1CCCOCC1 ZINC000907619090 654561728 /nfs/dbraw/zinc/56/17/28/654561728.db2.gz ZFCJSEYUBGEMNG-UHFFFAOYSA-N 1 1 375.694 2.484 20 0 GEADMO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Br)n1 ZINC000926165099 654562028 /nfs/dbraw/zinc/56/20/28/654562028.db2.gz PEQRSOPBZOFGOY-BSXFFOKHSA-N 1 1 396.329 2.362 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccncc1Br)C2 ZINC000926170570 654562265 /nfs/dbraw/zinc/56/22/65/654562265.db2.gz QXAIPZPGXFOASJ-AIANPOQGSA-N 1 1 382.302 2.054 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccnc1Br)C2 ZINC000926169610 654562345 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C[C@@H]1CSCCCN1CCS(=O)(=O)CC[N@H+]1CCCSC[C@H]1C ZINC000934301446 654843562 /nfs/dbraw/zinc/84/35/62/654843562.db2.gz JSZPDQBXOBGLQN-HZPDHXFCSA-N 1 1 380.645 2.056 20 0 GEADMO CS(=O)(=O)N(CC[N@H+]1CC[C@@H](Cc2nccs2)C1)Cc1ccccc1 ZINC000934331566 654845115 /nfs/dbraw/zinc/84/51/15/654845115.db2.gz DRNJXQGKYNDOJL-KRWDZBQOSA-N 1 1 379.551 2.469 20 0 GEADMO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000934480920 654850226 /nfs/dbraw/zinc/85/02/26/654850226.db2.gz UKFYUBYEVYCUMT-QGZVFWFLSA-N 1 1 378.270 2.458 20 0 GEADMO C[C@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000934480920 654850229 /nfs/dbraw/zinc/85/02/29/654850229.db2.gz UKFYUBYEVYCUMT-QGZVFWFLSA-N 1 1 378.270 2.458 20 0 GEADMO COc1ccc(C[N@@H+](CCCO)C[C@H](O)c2cc(Br)no2)cc1 ZINC000934501247 654851437 /nfs/dbraw/zinc/85/14/37/654851437.db2.gz FWWNNDVGIYWHKR-AWEZNQCLSA-N 1 1 385.258 2.364 20 0 GEADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000914421919 654852884 /nfs/dbraw/zinc/85/28/84/654852884.db2.gz 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ZINC000935690363 654911247 /nfs/dbraw/zinc/91/12/47/654911247.db2.gz WGMXLPBBHDEMIB-UONOGXRCSA-N 1 1 381.249 2.355 20 0 GEADMO Cc1cc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cnc1Br ZINC000936063811 654935996 /nfs/dbraw/zinc/93/59/96/654935996.db2.gz IRDCSOJNAJRVNV-CYBMUJFWSA-N 1 1 382.302 2.478 20 0 GEADMO Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996389047 654947793 /nfs/dbraw/zinc/94/77/93/654947793.db2.gz WWCLTWCSMFSAKL-RDBSUJKOSA-N 1 1 378.885 2.468 20 0 GEADMO CNS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164629045 719096277 /nfs/dbraw/zinc/09/62/77/719096277.db2.gz QOLXWDRCDZRFIP-HKUYNNGSSA-N 1 1 386.521 2.091 20 0 GEADMO CC(C)c1nc(N(C)C)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164649614 719312195 /nfs/dbraw/zinc/31/21/95/719312195.db2.gz POYGOHGGUYAEFV-UHFFFAOYSA-N 1 1 386.548 2.463 20 0 GEADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164681801 719704177 /nfs/dbraw/zinc/70/41/77/719704177.db2.gz 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ZINC001164809265 720096817 /nfs/dbraw/zinc/09/68/17/720096817.db2.gz JDVVZIKOJFRGKS-IIBYNOLFSA-N 1 1 389.496 2.062 20 0 GEADMO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164814340 720138081 /nfs/dbraw/zinc/13/80/81/720138081.db2.gz RUBRXAYRTVUXFO-OFNKIYASSA-N 1 1 399.583 2.018 20 0 GEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164814340 720138097 /nfs/dbraw/zinc/13/80/97/720138097.db2.gz RUBRXAYRTVUXFO-OFNKIYASSA-N 1 1 399.583 2.018 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3C1CC1)C2 ZINC001164815016 720172945 /nfs/dbraw/zinc/17/29/45/720172945.db2.gz GMZMQIVTQOJVQP-KKSFZXQISA-N 1 1 382.512 2.346 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164814599 720201247 /nfs/dbraw/zinc/20/12/47/720201247.db2.gz VBHUZACIMXWLRR-WBAXXEDZSA-N 1 1 384.883 2.442 20 0 GEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(C)ccc4n3)C2)C1 ZINC001164718421 720210883 /nfs/dbraw/zinc/21/08/83/720210883.db2.gz LKBRRAZMDUOVIE-QFIPXVFZSA-N 1 1 382.508 2.208 20 0 GEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(C)ccc4n3)C2)C1 ZINC001164718421 720210887 /nfs/dbraw/zinc/21/08/87/720210887.db2.gz LKBRRAZMDUOVIE-QFIPXVFZSA-N 1 1 382.508 2.208 20 0 GEADMO CCN(CC)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncn1 ZINC001164814546 720231199 /nfs/dbraw/zinc/23/11/99/720231199.db2.gz XTZLPFDKNMRRMZ-UHFFFAOYSA-N 1 1 399.543 2.130 20 0 GEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c(F)cccc43)C2)C1 ZINC001164718720 720258173 /nfs/dbraw/zinc/25/81/73/720258173.db2.gz HMMRKDCLLTVZQI-NRFANRHFSA-N 1 1 386.471 2.039 20 0 GEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c(F)cccc43)C2)C1 ZINC001164718720 720258177 /nfs/dbraw/zinc/25/81/77/720258177.db2.gz HMMRKDCLLTVZQI-NRFANRHFSA-N 1 1 386.471 2.039 20 0 GEADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2cc(N3CCSCC3)ncn2)c1 ZINC001164730276 720465038 /nfs/dbraw/zinc/46/50/38/720465038.db2.gz JDSTVSNNERICET-MSOLQXFVSA-N 1 1 382.537 2.278 20 0 GEADMO COC(=O)c1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841631 720510639 /nfs/dbraw/zinc/51/06/39/720510639.db2.gz ZGNYFPLWAMAPSM-YQVWRLOYSA-N 1 1 383.496 2.443 20 0 GEADMO COc1cc(OC)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836059 720521392 /nfs/dbraw/zinc/52/13/92/720521392.db2.gz LZIABWAITCGLOR-BRWVUGGUSA-N 1 1 386.500 2.068 20 0 GEADMO CCOC(=O)c1cnc2cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)[nH]cc1-2 ZINC001164733934 720522966 /nfs/dbraw/zinc/52/29/66/720522966.db2.gz NDAQVFJBXNEZKK-CQSZACIVSA-N 1 1 382.468 2.134 20 0 GEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cn1 ZINC001164841391 720537767 /nfs/dbraw/zinc/53/77/67/720537767.db2.gz UTKPLRADNRKPKC-YQVWRLOYSA-N 1 1 398.511 2.228 20 0 GEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-n4ccnc4)nn3)CC[C@@H]21 ZINC001164835862 720567838 /nfs/dbraw/zinc/56/78/38/720567838.db2.gz IOZUGZABIJRROK-QYZOEREBSA-N 1 1 392.511 2.237 20 0 GEADMO Cc1ccc(C(N)=O)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840162 720598930 /nfs/dbraw/zinc/59/89/30/720598930.db2.gz PEIVRLVXSJNGFT-JENIJYKNSA-N 1 1 382.512 2.063 20 0 GEADMO CCn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836173 720606738 /nfs/dbraw/zinc/60/67/38/720606738.db2.gz FBLWIVYQZCNIFZ-FGTMMUONSA-N 1 1 394.527 2.421 20 0 GEADMO Clc1ccnc2c1ccnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743072 720638644 /nfs/dbraw/zinc/63/86/44/720638644.db2.gz OTXZXEYBYPFHAO-UONOGXRCSA-N 1 1 382.855 2.415 20 0 GEADMO Clc1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2c1 ZINC001164738572 720673134 /nfs/dbraw/zinc/67/31/34/720673134.db2.gz KMWBBTLCQRRIAU-GJZGRUSLSA-N 1 1 382.855 2.415 20 0 GEADMO Clc1ccc2ncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164740584 720682753 /nfs/dbraw/zinc/68/27/53/720682753.db2.gz QYUQGOJRVNWXQT-GJZGRUSLSA-N 1 1 382.855 2.415 20 0 GEADMO Clc1ccc2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncc2n1 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O=S(=O)(Cc1cc(Cl)ccc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179128858 532223685 /nfs/dbraw/zinc/22/36/85/532223685.db2.gz BGOBDVYOMSKBLE-UHFFFAOYSA-N 1 1 390.908 2.353 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000179750728 532241664 /nfs/dbraw/zinc/24/16/64/532241664.db2.gz WJHKAJKYPVUACB-ONEGZZNKSA-N 1 1 382.917 2.368 20 0 GEADMO C[C@@H](CNC(=O)c1cc(F)c(F)cc1Br)C[NH+]1CCOCC1 ZINC000133761378 532242274 /nfs/dbraw/zinc/24/22/74/532242274.db2.gz YIIYMBNACBCBPK-JTQLQIEISA-N 1 1 377.229 2.425 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000133995089 532247958 /nfs/dbraw/zinc/24/79/58/532247958.db2.gz SYWAWMASAOFONA-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO O=C1CNC(=O)N1CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000134095357 532249779 /nfs/dbraw/zinc/24/97/79/532249779.db2.gz IGIBSOMOGLEDKV-OAHLLOKOSA-N 1 1 378.226 2.273 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179929417 532250835 /nfs/dbraw/zinc/25/08/35/532250835.db2.gz PEALBVJOUKKVJP-UHFFFAOYSA-N 1 1 377.246 2.159 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(OC)c(I)c2)C1 ZINC000134134108 532250902 /nfs/dbraw/zinc/25/09/02/532250902.db2.gz LEEPYFBEILNACI-LLVKDONJSA-N 1 1 388.249 2.371 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000134189600 532251825 /nfs/dbraw/zinc/25/18/25/532251825.db2.gz HGKJDQJVEMYUKF-NSHDSACASA-N 1 1 386.265 2.327 20 0 GEADMO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000135314607 532269709 /nfs/dbraw/zinc/26/97/09/532269709.db2.gz KOIGZZOIMCRVLD-YCPHGPKFSA-N 1 1 387.571 2.253 20 0 GEADMO O=S1(=O)CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296439 532270127 /nfs/dbraw/zinc/27/01/27/532270127.db2.gz WLBLGTNAHXIREG-QMMMGPOBSA-N 1 1 398.120 2.131 20 0 GEADMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC[C@@H]21 ZINC000180444533 532271779 /nfs/dbraw/zinc/27/17/79/532271779.db2.gz PCZOYJPVCYCVFS-IUCAKERBSA-N 1 1 384.370 2.487 20 0 GEADMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000134362241 532254648 /nfs/dbraw/zinc/25/46/48/532254648.db2.gz ZJEINAMTGOTPOQ-CYBMUJFWSA-N 1 1 391.896 2.210 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1Br ZINC000180101050 532258335 /nfs/dbraw/zinc/25/83/35/532258335.db2.gz YZCSLPFIFANJGW-ZJUUUORDSA-N 1 1 380.333 2.071 20 0 GEADMO Cc1nc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000180101050 532258336 /nfs/dbraw/zinc/25/83/36/532258336.db2.gz YZCSLPFIFANJGW-ZJUUUORDSA-N 1 1 380.333 2.071 20 0 GEADMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Br)cc1 ZINC000180602714 532275312 /nfs/dbraw/zinc/27/53/12/532275312.db2.gz BLEYQFROZCTRQN-OAHLLOKOSA-N 1 1 384.318 2.431 20 0 GEADMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000180656653 532277883 /nfs/dbraw/zinc/27/78/83/532277883.db2.gz RPFUEKFDIPUJFC-MRXNPFEDSA-N 1 1 396.333 2.478 20 0 GEADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135642645 532278033 /nfs/dbraw/zinc/27/80/33/532278033.db2.gz PAPVONCBKRDSQE-HNNXBMFYSA-N 1 1 386.286 2.070 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000180831375 532282686 /nfs/dbraw/zinc/28/26/86/532282686.db2.gz WRVIZDHQPLUFTA-LLVKDONJSA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000180831375 532282691 /nfs/dbraw/zinc/28/26/91/532282691.db2.gz WRVIZDHQPLUFTA-LLVKDONJSA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)ccc2Br)[C@H](C)C1 ZINC000180828162 532282901 /nfs/dbraw/zinc/28/29/01/532282901.db2.gz SZKFQWWAXVVMLA-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)ccc2Br)[C@H](C)C1 ZINC000180828162 532282906 /nfs/dbraw/zinc/28/29/06/532282906.db2.gz SZKFQWWAXVVMLA-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCc2ccccc2Br)[C@@H](C)C1 ZINC000180875892 532285089 /nfs/dbraw/zinc/28/50/89/532285089.db2.gz HBIDYXSLFYFGGC-AWEZNQCLSA-N 1 1 397.313 2.478 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)CCc2ccccc2Br)[C@@H](C)C1 ZINC000180875892 532285091 /nfs/dbraw/zinc/28/50/91/532285091.db2.gz HBIDYXSLFYFGGC-AWEZNQCLSA-N 1 1 397.313 2.478 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000136662053 532286796 /nfs/dbraw/zinc/28/67/96/532286796.db2.gz GVKVXMDIWULWEL-UHFFFAOYSA-N 1 1 382.262 2.255 20 0 GEADMO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1nccs1 ZINC000181200845 532293320 /nfs/dbraw/zinc/29/33/20/532293320.db2.gz ZOUFGQDALUXULD-CQSZACIVSA-N 1 1 381.523 2.156 20 0 GEADMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCc2cccc(Br)c2)cn1 ZINC000181367921 532296248 /nfs/dbraw/zinc/29/62/48/532296248.db2.gz GNKVEQMONVXEJL-INIZCTEOSA-N 1 1 377.286 2.288 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181396437 532297101 /nfs/dbraw/zinc/29/71/01/532297101.db2.gz KZDRQWOQYXKVAF-WFASDCNBSA-N 1 1 393.285 2.123 20 0 GEADMO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000181445811 532299290 /nfs/dbraw/zinc/29/92/90/532299290.db2.gz UJGSAANCDCHKBZ-RYUDHWBXSA-N 1 1 397.317 2.328 20 0 GEADMO C[C@H](CNC(=O)CCOc1ccccc1Br)C[NH+]1CCOCC1 ZINC000150714744 532301147 /nfs/dbraw/zinc/30/11/47/532301147.db2.gz IXUPACNGEXRMCS-CQSZACIVSA-N 1 1 385.302 2.303 20 0 GEADMO C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cn1)C[NH+]1CCOCC1 ZINC000150729866 532301541 /nfs/dbraw/zinc/30/15/41/532301541.db2.gz QTTDXWIFXLAEKZ-LBPRGKRZSA-N 1 1 377.432 2.277 20 0 GEADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000181564982 532302364 /nfs/dbraw/zinc/30/23/64/532302364.db2.gz KZCFGAFNIQXQLX-CYBMUJFWSA-N 1 1 378.441 2.200 20 0 GEADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000181564982 532302368 /nfs/dbraw/zinc/30/23/68/532302368.db2.gz KZCFGAFNIQXQLX-CYBMUJFWSA-N 1 1 378.441 2.200 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccccc1Br ZINC000181573779 532302515 /nfs/dbraw/zinc/30/25/15/532302515.db2.gz YRYCVZUHNQNBKX-NEPJUHHUSA-N 1 1 382.302 2.212 20 0 GEADMO C[C@@H](C[S@@](C)=O)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000181635737 532303663 /nfs/dbraw/zinc/30/36/63/532303663.db2.gz UOENWQTUTFDFHP-ADHMFCJJSA-N 1 1 376.444 2.324 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000181699958 532304924 /nfs/dbraw/zinc/30/49/24/532304924.db2.gz WYQDHQMSZPXEMK-ZDUSSCGKSA-N 1 1 393.336 2.477 20 0 GEADMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181751054 532306156 /nfs/dbraw/zinc/30/61/56/532306156.db2.gz LQUJWFASQLFRHK-ONGXEEELSA-N 1 1 396.207 2.418 20 0 GEADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000183393458 532324377 /nfs/dbraw/zinc/32/43/77/532324377.db2.gz MGWHYQCBOKOFPM-MRXNPFEDSA-N 1 1 390.281 2.341 20 0 GEADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cc(Br)ccc1=O ZINC000182065368 532309188 /nfs/dbraw/zinc/30/91/88/532309188.db2.gz ZTMKJTGXLXVUEA-CQSZACIVSA-N 1 1 392.297 2.248 20 0 GEADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccccc1Br ZINC000182515747 532314645 /nfs/dbraw/zinc/31/46/45/532314645.db2.gz CEURJKAXPGAORL-UHFFFAOYSA-N 1 1 383.334 2.228 20 0 GEADMO NC(=O)CSCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182607547 532315755 /nfs/dbraw/zinc/31/57/55/532315755.db2.gz NZKGXRXHSUWFGI-UHFFFAOYSA-N 1 1 390.336 2.293 20 0 GEADMO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1Br)OCCO2 ZINC000182651866 532315897 /nfs/dbraw/zinc/31/58/97/532315897.db2.gz KUMFQRTXTHVXRS-GHMZBOCLSA-N 1 1 390.299 2.448 20 0 GEADMO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1Br)OCCO2 ZINC000182651851 532316124 /nfs/dbraw/zinc/31/61/24/532316124.db2.gz KUMFQRTXTHVXRS-WDEREUQCSA-N 1 1 390.299 2.448 20 0 GEADMO C[C@@H](CNC(=O)NCCNc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000183035941 532320994 /nfs/dbraw/zinc/32/09/94/532320994.db2.gz JQLQYJLHLBUKSL-AWEZNQCLSA-N 1 1 399.333 2.129 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183120050 532321803 /nfs/dbraw/zinc/32/18/03/532321803.db2.gz HUPDCAZZAPFMLJ-LLVKDONJSA-N 1 1 396.285 2.242 20 0 GEADMO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000183213553 532321989 /nfs/dbraw/zinc/32/19/89/532321989.db2.gz PHJFKWBRZAVMGM-TUAOUCFPSA-N 1 1 388.249 2.321 20 0 GEADMO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183289065 532323019 /nfs/dbraw/zinc/32/30/19/532323019.db2.gz PCNITMFCWDOGLQ-HNNXBMFYSA-N 1 1 388.555 2.023 20 0 GEADMO CCS(=O)(=O)N(C)C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187248438 532343660 /nfs/dbraw/zinc/34/36/60/532343660.db2.gz ZKXXMIKEYFSYIW-INIZCTEOSA-N 1 1 378.897 2.258 20 0 GEADMO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187256846 532343672 /nfs/dbraw/zinc/34/36/72/532343672.db2.gz VMVUWZONLKSMER-CYBMUJFWSA-N 1 1 394.313 2.237 20 0 GEADMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C[N@@H+]1C1CC1 ZINC000185120607 532336898 /nfs/dbraw/zinc/33/68/98/532336898.db2.gz IMXPPOQZHSAAKP-GXSJLCMTSA-N 1 1 377.279 2.492 20 0 GEADMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C[N@H+]1C1CC1 ZINC000185120607 532336899 /nfs/dbraw/zinc/33/68/99/532336899.db2.gz IMXPPOQZHSAAKP-GXSJLCMTSA-N 1 1 377.279 2.492 20 0 GEADMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCSC[C@@H]2c2nccs2)C[C@H](C)O1 ZINC000185108840 532336939 /nfs/dbraw/zinc/33/69/39/532336939.db2.gz NQHFBINRECESFO-QLFBSQMISA-N 1 1 384.571 2.442 20 0 GEADMO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187256846 532343673 /nfs/dbraw/zinc/34/36/73/532343673.db2.gz VMVUWZONLKSMER-CYBMUJFWSA-N 1 1 394.313 2.237 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc(Br)c1 ZINC000185634359 532338136 /nfs/dbraw/zinc/33/81/36/532338136.db2.gz CRLXOVQMNPYBDO-AWEZNQCLSA-N 1 1 383.334 2.274 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000185758473 532338661 /nfs/dbraw/zinc/33/86/61/532338661.db2.gz BCLXZDMEEVYUSI-JTQLQIEISA-N 1 1 377.304 2.219 20 0 GEADMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185973386 532339303 /nfs/dbraw/zinc/33/93/03/532339303.db2.gz KKWYUWUWWZLEPE-NSHDSACASA-N 1 1 389.315 2.004 20 0 GEADMO C[C@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000186052883 532339638 /nfs/dbraw/zinc/33/96/38/532339638.db2.gz RODWEMWNTUQHAU-GFCCVEGCSA-N 1 1 379.302 2.183 20 0 GEADMO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ncn(C)c1Cl ZINC000186098937 532339820 /nfs/dbraw/zinc/33/98/20/532339820.db2.gz LOZHYAKUVNCFNL-OAHLLOKOSA-N 1 1 382.917 2.359 20 0 GEADMO CC(C)(CC(N)=O)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000186257225 532340440 /nfs/dbraw/zinc/34/04/40/532340440.db2.gz KTYCPZIYRYPVAH-UHFFFAOYSA-N 1 1 376.770 2.078 20 0 GEADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186628577 532341482 /nfs/dbraw/zinc/34/14/82/532341482.db2.gz MFIFQJLQLPLBEA-BETUJISGSA-N 1 1 378.489 2.183 20 0 GEADMO COc1ccc(Br)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186880320 532342283 /nfs/dbraw/zinc/34/22/83/532342283.db2.gz RTNCWTCKLMWJQT-CYBMUJFWSA-N 1 1 399.329 2.304 20 0 GEADMO CCN(C(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000186884285 532342307 /nfs/dbraw/zinc/34/23/07/532342307.db2.gz DUSKXAVFERGBQS-LBPRGKRZSA-N 1 1 390.908 2.339 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Br)cc1 ZINC000186888829 532342420 /nfs/dbraw/zinc/34/24/20/532342420.db2.gz MQNNWJUOJONYQE-CYBMUJFWSA-N 1 1 385.302 2.132 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183652769 532327212 /nfs/dbraw/zinc/32/72/12/532327212.db2.gz QJYMLBKPBXGXTR-AWEZNQCLSA-N 1 1 396.285 2.192 20 0 GEADMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)NC(=O)NC1CCCCC1 ZINC000183913371 532330034 /nfs/dbraw/zinc/33/00/34/532330034.db2.gz IYEQLLSVMZQEEY-OAHLLOKOSA-N 1 1 398.301 2.231 20 0 GEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)COc2ccccc2Br)CC1 ZINC000184214606 532331450 /nfs/dbraw/zinc/33/14/50/532331450.db2.gz QRUDMPBRQKXMNK-UHFFFAOYSA-N 1 1 398.345 2.360 20 0 GEADMO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(Br)cc3c1OCC3)CC2 ZINC000184867796 532335109 /nfs/dbraw/zinc/33/51/09/532335109.db2.gz HQLRDOWLCRBKBI-UHFFFAOYSA-N 1 1 376.254 2.036 20 0 GEADMO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(Br)cc3c1OCC3)CC2 ZINC000184867796 532335110 /nfs/dbraw/zinc/33/51/10/532335110.db2.gz HQLRDOWLCRBKBI-UHFFFAOYSA-N 1 1 376.254 2.036 20 0 GEADMO CSC[C@H](O)C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000187806642 532345636 /nfs/dbraw/zinc/34/56/36/532345636.db2.gz LOCCKMMHQGFZQF-OAHLLOKOSA-N 1 1 382.917 2.232 20 0 GEADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000187823106 532345722 /nfs/dbraw/zinc/34/57/22/532345722.db2.gz TTYVEESSPJJECS-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000187823106 532345723 /nfs/dbraw/zinc/34/57/23/532345723.db2.gz TTYVEESSPJJECS-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000188126653 532346728 /nfs/dbraw/zinc/34/67/28/532346728.db2.gz FGYCTGBORJAAKW-FZMZJTMJSA-N 1 1 380.286 2.437 20 0 GEADMO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1)[NH+](C)C ZINC000188210298 532347400 /nfs/dbraw/zinc/34/74/00/532347400.db2.gz VDIMLYIEENAOQQ-QGZVFWFLSA-N 1 1 390.571 2.125 20 0 GEADMO Cc1csc(C(=O)NCCC[NH+]2CCOCC2)c1I ZINC000188443616 532348122 /nfs/dbraw/zinc/34/81/22/532348122.db2.gz YDWAYLNITQMLGL-UHFFFAOYSA-N 1 1 394.278 2.113 20 0 GEADMO CCN1CC[NH+](CCCNC(=O)Cc2cccc(Br)c2C)CC1 ZINC000188646981 532348874 /nfs/dbraw/zinc/34/88/74/532348874.db2.gz FVVUAVLJKNZUEK-UHFFFAOYSA-N 1 1 382.346 2.444 20 0 GEADMO CC(C)Oc1cc(Br)cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000188694399 532349283 /nfs/dbraw/zinc/34/92/83/532349283.db2.gz KHODSRJJJULWBW-ZDUSSCGKSA-N 1 1 385.302 2.375 20 0 GEADMO CC(C)Oc1cc(Br)cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000188694399 532349284 /nfs/dbraw/zinc/34/92/84/532349284.db2.gz KHODSRJJJULWBW-ZDUSSCGKSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1CC(C)(C)O ZINC000188897497 532350137 /nfs/dbraw/zinc/35/01/37/532350137.db2.gz WTQZZPVNXJLUKN-ZDUSSCGKSA-N 1 1 399.329 2.497 20 0 GEADMO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000189149212 532351049 /nfs/dbraw/zinc/35/10/49/532351049.db2.gz QEOQDVFNYVXZFK-STQMWFEESA-N 1 1 384.318 2.271 20 0 GEADMO C[C@H](CNC(=O)N1CCc2cc(Br)ccc2C1)C[NH+]1CCOCC1 ZINC000189176675 532351154 /nfs/dbraw/zinc/35/11/54/532351154.db2.gz VADWEYHFHMMTAJ-CQSZACIVSA-N 1 1 396.329 2.485 20 0 GEADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000189322053 532351756 /nfs/dbraw/zinc/35/17/56/532351756.db2.gz CEVVZIOCWXRQRF-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC[N@H+]1CCCOCC1 ZINC000189413428 532352118 /nfs/dbraw/zinc/35/21/18/532352118.db2.gz NYKQOESHBXGYOJ-UHFFFAOYSA-N 1 1 380.286 2.311 20 0 GEADMO CCCN1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000189399989 532352134 /nfs/dbraw/zinc/35/21/34/532352134.db2.gz ZZPCYAATWJYADA-HNNXBMFYSA-N 1 1 385.302 2.133 20 0 GEADMO CCCN1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000189399989 532352135 /nfs/dbraw/zinc/35/21/35/532352135.db2.gz 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C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000621965211 532375246 /nfs/dbraw/zinc/37/52/46/532375246.db2.gz HVJTXFNSCYIFCI-LLVKDONJSA-N 1 1 399.285 2.095 20 0 GEADMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000278332992 532375521 /nfs/dbraw/zinc/37/55/21/532375521.db2.gz GQNIWPHVXFYWNG-LBPRGKRZSA-N 1 1 376.881 2.353 20 0 GEADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000278332992 532375529 /nfs/dbraw/zinc/37/55/29/532375529.db2.gz GQNIWPHVXFYWNG-LBPRGKRZSA-N 1 1 376.881 2.353 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3F)[C@@H]2C1 ZINC000425214149 532375597 /nfs/dbraw/zinc/37/55/97/532375597.db2.gz IOUYVXDLUAUDBY-GXFFZTMASA-N 1 1 377.279 2.303 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1Cl ZINC000278381374 532376846 /nfs/dbraw/zinc/37/68/46/532376846.db2.gz LLLXSTSJBOIHJI-ZDUSSCGKSA-N 1 1 388.917 2.222 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1Cl ZINC000278381374 532376853 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GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589929602 532365005 /nfs/dbraw/zinc/36/50/05/532365005.db2.gz KZOYCIBQOLIQKY-ZANVPECISA-N 1 1 393.292 2.105 20 0 GEADMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)cc2I)[C@H](C)C1 ZINC000557525743 532365721 /nfs/dbraw/zinc/36/57/21/532365721.db2.gz MAKNCUCNTZHIEE-LLVKDONJSA-N 1 1 388.249 2.466 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2ccc(OC)cc2I)[C@H](C)C1 ZINC000557525743 532365727 /nfs/dbraw/zinc/36/57/27/532365727.db2.gz MAKNCUCNTZHIEE-LLVKDONJSA-N 1 1 388.249 2.466 20 0 GEADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000515516688 532367141 /nfs/dbraw/zinc/36/71/41/532367141.db2.gz FLSLSDXLQKQFNX-CYBMUJFWSA-N 1 1 386.323 2.452 20 0 GEADMO CC[N@H+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000557538961 532367650 /nfs/dbraw/zinc/36/76/50/532367650.db2.gz RFCWRCUCDUKTDZ-CJNGLKHVSA-N 1 1 381.929 2.408 20 0 GEADMO CC[N@H+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000677176510 532367976 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C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[C@H]1c1cccs1 ZINC000373034312 532426683 /nfs/dbraw/zinc/42/66/83/532426683.db2.gz ZHKCWZIJVVNCDU-PWSUYJOCSA-N 1 1 377.432 2.314 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[C@H]1c1cccs1 ZINC000373034312 532426688 /nfs/dbraw/zinc/42/66/88/532426688.db2.gz ZHKCWZIJVVNCDU-PWSUYJOCSA-N 1 1 377.432 2.314 20 0 GEADMO CC[N@H+]1CCC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000193684968 532431008 /nfs/dbraw/zinc/43/10/08/532431008.db2.gz RQAGGNHYFNPVDC-ZDUSSCGKSA-N 1 1 383.286 2.363 20 0 GEADMO Cn1cc([C@@H]2C[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C[C@H]2CO)cn1 ZINC000373103233 532431211 /nfs/dbraw/zinc/43/12/11/532431211.db2.gz DTKZYDIEQBWFFE-JSGCOSHPSA-N 1 1 390.285 2.267 20 0 GEADMO Cn1cc([C@@H]2C[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C[C@H]2CO)cn1 ZINC000373103233 532431214 /nfs/dbraw/zinc/43/12/14/532431214.db2.gz DTKZYDIEQBWFFE-JSGCOSHPSA-N 1 1 390.285 2.267 20 0 GEADMO Cn1cc([C@@H]2C[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C[C@H]2CO)cn1 ZINC000373103233 532431226 /nfs/dbraw/zinc/43/12/26/532431226.db2.gz DTKZYDIEQBWFFE-JSGCOSHPSA-N 1 1 390.285 2.267 20 0 GEADMO Cn1cc([C@@H]2C[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C[C@H]2CO)cn1 ZINC000373103233 532431231 /nfs/dbraw/zinc/43/12/31/532431231.db2.gz DTKZYDIEQBWFFE-JSGCOSHPSA-N 1 1 390.285 2.267 20 0 GEADMO Ic1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000517976391 532431513 /nfs/dbraw/zinc/43/15/13/532431513.db2.gz KTASLYXJONQRKW-OAHLLOKOSA-N 1 1 386.277 2.445 20 0 GEADMO Ic1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000517976391 532431521 /nfs/dbraw/zinc/43/15/21/532431521.db2.gz KTASLYXJONQRKW-OAHLLOKOSA-N 1 1 386.277 2.445 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000518150984 532435400 /nfs/dbraw/zinc/43/54/00/532435400.db2.gz MGNZZLVEUWMMJN-INIZCTEOSA-N 1 1 395.297 2.452 20 0 GEADMO O=C(CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1Br ZINC000681712545 532435872 /nfs/dbraw/zinc/43/58/72/532435872.db2.gz ZUSPBAOFQKQBPB-WFASDCNBSA-N 1 1 380.286 2.378 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(Br)cnn2C)[C@H](C)C1 ZINC000295330916 532435940 /nfs/dbraw/zinc/43/59/40/532435940.db2.gz UBKQLBXPWPDKDN-OCCSQVGLSA-N 1 1 387.322 2.049 20 0 GEADMO COc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1Br ZINC000373172272 532436857 /nfs/dbraw/zinc/43/68/57/532436857.db2.gz APWIHSIMKVUEIL-WFASDCNBSA-N 1 1 382.302 2.025 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000466700929 532432796 /nfs/dbraw/zinc/43/27/96/532432796.db2.gz AJBXEPVONLDJPI-SNVBAGLBSA-N 1 1 375.256 2.490 20 0 GEADMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2F)n1 ZINC000626144280 532433598 /nfs/dbraw/zinc/43/35/98/532433598.db2.gz APCRLRRWUVNBPF-GXTWGEPZSA-N 1 1 399.220 2.338 20 0 GEADMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000626120477 532434492 /nfs/dbraw/zinc/43/44/92/532434492.db2.gz DGIXBJVTMZOWNY-LALPHHSUSA-N 1 1 376.266 2.421 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000592209552 532441051 /nfs/dbraw/zinc/44/10/51/532441051.db2.gz WYXQJRFPJRISMN-HIFRSBDPSA-N 1 1 384.270 2.268 20 0 GEADMO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1Br ZINC000295375550 532441277 /nfs/dbraw/zinc/44/12/77/532441277.db2.gz QCZGIAKXCMYANX-ZDUSSCGKSA-N 1 1 386.290 2.039 20 0 GEADMO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H](O)c1ccccc1Br ZINC000295375550 532441283 /nfs/dbraw/zinc/44/12/83/532441283.db2.gz QCZGIAKXCMYANX-ZDUSSCGKSA-N 1 1 386.290 2.039 20 0 GEADMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(I)cc1 ZINC000295354908 532437187 /nfs/dbraw/zinc/43/71/87/532437187.db2.gz ITVLNDOIPUZJOE-AWEZNQCLSA-N 1 1 387.309 2.407 20 0 GEADMO O=C(c1c(F)ccc(Br)c1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373262062 532437810 /nfs/dbraw/zinc/43/78/10/532437810.db2.gz SMECLKWWJJDQFK-CHWSQXEVSA-N 1 1 389.240 2.399 20 0 GEADMO O=C(c1c(F)ccc(Br)c1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373262063 532438235 /nfs/dbraw/zinc/43/82/35/532438235.db2.gz SMECLKWWJJDQFK-OLZOCXBDSA-N 1 1 389.240 2.399 20 0 GEADMO C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@@H]1C ZINC000467177740 532440509 /nfs/dbraw/zinc/44/05/09/532440509.db2.gz XBEDUOMZANRSDZ-VXGBXAGGSA-N 1 1 398.301 2.085 20 0 GEADMO C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H](O)c1ccccc1Br ZINC000295387725 532442196 /nfs/dbraw/zinc/44/21/96/532442196.db2.gz RFJNSQHDEYDBNE-GXFFZTMASA-N 1 1 386.208 2.354 20 0 GEADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(Br)c(F)cc1F ZINC000295402413 532443509 /nfs/dbraw/zinc/44/35/09/532443509.db2.gz ISUDRBMFTFTGQS-JTQLQIEISA-N 1 1 377.229 2.304 20 0 GEADMO CC[N@@H+]1CCC[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000682239067 532443806 /nfs/dbraw/zinc/44/38/06/532443806.db2.gz WFKDCSMQMXBKDF-VIFPVBQESA-N 1 1 380.283 2.132 20 0 GEADMO CC[N@H+]1CCC[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000682239067 532443812 /nfs/dbraw/zinc/44/38/12/532443812.db2.gz WFKDCSMQMXBKDF-VIFPVBQESA-N 1 1 380.283 2.132 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000518802290 532447203 /nfs/dbraw/zinc/44/72/03/532447203.db2.gz WMOANVBAESOYIE-ZDUSSCGKSA-N 1 1 388.295 2.041 20 0 GEADMO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627269930 532448045 /nfs/dbraw/zinc/44/80/45/532448045.db2.gz ZXFBFXSWCPHNHO-LUKYLMHMSA-N 1 1 379.298 2.220 20 0 GEADMO O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)C1(Cc2ccccc2Br)CC1 ZINC000627266741 532448124 /nfs/dbraw/zinc/44/81/24/532448124.db2.gz FHZCQTOORWYYRH-JKSUJKDBSA-N 1 1 393.325 2.439 20 0 GEADMO CCOC(=O)CCCNC(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000282215265 532448192 /nfs/dbraw/zinc/44/81/92/532448192.db2.gz YFXMSURRHAIPJR-AWEZNQCLSA-N 1 1 399.285 2.322 20 0 GEADMO O=C(CCc1ccc(Br)cc1F)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000650599744 532449161 /nfs/dbraw/zinc/44/91/61/532449161.db2.gz SMRFESTZSLTGMU-HNNXBMFYSA-N 1 1 387.293 2.484 20 0 GEADMO O=C(c1nc2ccccc2cc1Br)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627267084 532448751 /nfs/dbraw/zinc/44/87/51/532448751.db2.gz JOKLCXIQFWMDGT-UONOGXRCSA-N 1 1 390.281 2.278 20 0 GEADMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1F ZINC000467512553 532448954 /nfs/dbraw/zinc/44/89/54/532448954.db2.gz UKINUOSOCQHZFL-ZANVPECISA-N 1 1 377.279 2.349 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1F ZINC000467512553 532448959 /nfs/dbraw/zinc/44/89/59/532448959.db2.gz UKINUOSOCQHZFL-ZANVPECISA-N 1 1 377.279 2.349 20 0 GEADMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000518660602 532445768 /nfs/dbraw/zinc/44/57/68/532445768.db2.gz DHNDHIBBKULMJI-GDBMZVCRSA-N 1 1 388.302 2.446 20 0 GEADMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000518660602 532445771 /nfs/dbraw/zinc/44/57/71/532445771.db2.gz DHNDHIBBKULMJI-GDBMZVCRSA-N 1 1 388.302 2.446 20 0 GEADMO COc1ccc(CCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000627272474 532449420 /nfs/dbraw/zinc/44/94/20/532449420.db2.gz PLLRKLOOHKJWDM-GJZGRUSLSA-N 1 1 397.313 2.058 20 0 GEADMO O=C(N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000627268048 532449565 /nfs/dbraw/zinc/44/95/65/532449565.db2.gz WQMSFHDDBTVKRL-JKSUJKDBSA-N 1 1 397.288 2.287 20 0 GEADMO C[N@H+](CCn1cc(Br)cn1)CC(=O)NCCCc1ccccc1 ZINC000561791689 532452499 /nfs/dbraw/zinc/45/24/99/532452499.db2.gz CLHJYVGKEOLGLK-UHFFFAOYSA-N 1 1 379.302 2.326 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)CC(=O)NCCCc1ccccc1 ZINC000561791689 532452503 /nfs/dbraw/zinc/45/25/03/532452503.db2.gz CLHJYVGKEOLGLK-UHFFFAOYSA-N 1 1 379.302 2.326 20 0 GEADMO C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000682876785 532450931 /nfs/dbraw/zinc/45/09/31/532450931.db2.gz IMUHYTKFLDXUAU-LRDDRELGSA-N 1 1 382.302 2.236 20 0 GEADMO C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682876785 532450938 /nfs/dbraw/zinc/45/09/38/532450938.db2.gz IMUHYTKFLDXUAU-LRDDRELGSA-N 1 1 382.302 2.236 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000627825739 532457187 /nfs/dbraw/zinc/45/71/87/532457187.db2.gz FIDCZELNCZLHJE-JTQLQIEISA-N 1 1 378.420 2.035 20 0 GEADMO CN1CC[NH+](CCCNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000194500022 532452769 /nfs/dbraw/zinc/45/27/69/532452769.db2.gz VIPWHBVGYGGNEZ-UHFFFAOYSA-N 1 1 397.292 2.437 20 0 GEADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc[nH]c(=O)c1Br ZINC000428537469 532455099 /nfs/dbraw/zinc/45/50/99/532455099.db2.gz NQUSNGNPFPCLSW-ZDUSSCGKSA-N 1 1 392.253 2.369 20 0 GEADMO C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@@H](C)O1 ZINC000519386316 532462332 /nfs/dbraw/zinc/46/23/32/532462332.db2.gz NAGQFWRIYUEWRD-RTWAVKEYSA-N 1 1 375.296 2.487 20 0 GEADMO CC[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1nc(C(F)(F)F)cs1 ZINC000650944463 532458024 /nfs/dbraw/zinc/45/80/24/532458024.db2.gz FCKYTCALCZTWOO-GHMZBOCLSA-N 1 1 378.420 2.073 20 0 GEADMO CC[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1nc(C(F)(F)F)cs1 ZINC000650944463 532458031 /nfs/dbraw/zinc/45/80/31/532458031.db2.gz FCKYTCALCZTWOO-GHMZBOCLSA-N 1 1 378.420 2.073 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)CN[C@H]2COc3c2ccc(Cl)c3Cl)C[C@H](C)O1 ZINC000519386317 532462741 /nfs/dbraw/zinc/46/27/41/532462741.db2.gz NAGQFWRIYUEWRD-ZAZJYDDPSA-N 1 1 375.296 2.487 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)CN[C@H]2COc3c2ccc(Cl)c3Cl)C[C@H](C)O1 ZINC000519386317 532462746 /nfs/dbraw/zinc/46/27/46/532462746.db2.gz NAGQFWRIYUEWRD-ZAZJYDDPSA-N 1 1 375.296 2.487 20 0 GEADMO CCO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000627846239 532458904 /nfs/dbraw/zinc/45/89/04/532458904.db2.gz VJLNTYLHCBBWKC-PBHICJAKSA-N 1 1 398.301 2.133 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)N[C@@H](CO)CCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000650997581 532459846 /nfs/dbraw/zinc/45/98/46/532459846.db2.gz IVOUTDWSTMADQX-IOASZLSFSA-N 1 1 375.847 2.492 20 0 GEADMO CCSc1ccc(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Br)c1 ZINC000628018719 532462811 /nfs/dbraw/zinc/46/28/11/532462811.db2.gz IIKNNDVBRXQBFF-UONOGXRCSA-N 1 1 399.354 2.381 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000428785514 532460782 /nfs/dbraw/zinc/46/07/82/532460782.db2.gz UQQLCLNSJZAYJC-XHDPSFHLSA-N 1 1 395.301 2.450 20 0 GEADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000468425154 532464155 /nfs/dbraw/zinc/46/41/55/532464155.db2.gz DTAPTNXUDQZDLT-AWEZNQCLSA-N 1 1 387.571 2.463 20 0 GEADMO CO[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(F)(F)F ZINC000651327989 532464868 /nfs/dbraw/zinc/46/48/68/532464868.db2.gz NVJLPWDMNWMXBD-JSGCOSHPSA-N 1 1 379.448 2.120 20 0 GEADMO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282412773 532464984 /nfs/dbraw/zinc/46/49/84/532464984.db2.gz IESUPKZTCDBROQ-UHFFFAOYSA-N 1 1 394.317 2.081 20 0 GEADMO O=S1(=O)CCC2(CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)CC1 ZINC000428943467 532465131 /nfs/dbraw/zinc/46/51/31/532465131.db2.gz DPZXJRPECOEHGS-UHFFFAOYSA-N 1 1 379.391 2.491 20 0 GEADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000468456965 532465831 /nfs/dbraw/zinc/46/58/31/532465831.db2.gz AOOPRCLEBDMADN-AWEZNQCLSA-N 1 1 384.318 2.238 20 0 GEADMO Cc1[nH+]c2c(n1CC(=O)c1ccc(CCNS(C)(=O)=O)s1)CCCC2 ZINC000562475494 532466718 /nfs/dbraw/zinc/46/67/18/532466718.db2.gz IXBKOTCGFAVDNY-UHFFFAOYSA-N 1 1 381.523 2.106 20 0 GEADMO [NH3+]C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000428998114 532468196 /nfs/dbraw/zinc/46/81/96/532468196.db2.gz UDEPTIDWEFHRBF-JTQLQIEISA-N 1 1 384.221 2.121 20 0 GEADMO C[C@@H](CNC(=O)[C@@H]1CCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000651367067 532469160 /nfs/dbraw/zinc/46/91/60/532469160.db2.gz PCZRFVKQKFDCQO-DZGCQCFKSA-N 1 1 397.313 2.400 20 0 GEADMO C[NH+]1CCN(CC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000628477637 532469584 /nfs/dbraw/zinc/46/95/84/532469584.db2.gz DCHINSWRDVBPNW-MRXNPFEDSA-N 1 1 398.370 2.390 20 0 GEADMO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[NH+](C2CC2)CC1 ZINC000562618838 532473335 /nfs/dbraw/zinc/47/33/35/532473335.db2.gz HQFBTHRMDXIIQQ-UHFFFAOYSA-N 1 1 390.285 2.947 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)COCC(C)C)c1 ZINC000295814126 532478911 /nfs/dbraw/zinc/47/89/11/532478911.db2.gz BLLUDQOPBMKYFX-GUYCJALGSA-N 1 1 390.318 2.456 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)COCC(C)C)c1 ZINC000295814126 532478920 /nfs/dbraw/zinc/47/89/20/532478920.db2.gz BLLUDQOPBMKYFX-GUYCJALGSA-N 1 1 390.318 2.456 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000519816771 532479842 /nfs/dbraw/zinc/47/98/42/532479842.db2.gz FOEARLGVIYPFTC-HNNXBMFYSA-N 1 1 384.318 2.131 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000519816771 532479845 /nfs/dbraw/zinc/47/98/45/532479845.db2.gz FOEARLGVIYPFTC-HNNXBMFYSA-N 1 1 384.318 2.131 20 0 GEADMO CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000374309329 532496794 /nfs/dbraw/zinc/49/67/94/532496794.db2.gz HODZTSOGEYSDIL-OAHLLOKOSA-N 1 1 382.917 2.280 20 0 GEADMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ncc(Br)cn1 ZINC000519869353 532481474 /nfs/dbraw/zinc/48/14/74/532481474.db2.gz DFIFEEMFOBTVIL-SGMGOOAPSA-N 1 1 382.306 2.426 20 0 GEADMO C[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000684758130 532483186 /nfs/dbraw/zinc/48/31/86/532483186.db2.gz WSRRDWPLFOFZAW-INIZCTEOSA-N 1 1 384.293 2.499 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(I)ccc1O ZINC000221644688 532486008 /nfs/dbraw/zinc/48/60/08/532486008.db2.gz ZYDPJGVURNAECM-UHFFFAOYSA-N 1 1 376.238 2.457 20 0 GEADMO CCN1CC[NH+](CCC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000282683961 532487877 /nfs/dbraw/zinc/48/78/77/532487877.db2.gz DFGIBROKNIKZKV-INIZCTEOSA-N 1 1 396.329 2.417 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000685025496 532489677 /nfs/dbraw/zinc/48/96/77/532489677.db2.gz QTNJZYAOGDWVLB-QMMMGPOBSA-N 1 1 392.656 2.391 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000282705555 532490170 /nfs/dbraw/zinc/49/01/70/532490170.db2.gz KDSBBCUWHLMWRK-GFCCVEGCSA-N 1 1 394.317 2.081 20 0 GEADMO COCCN(C)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000520364739 532490565 /nfs/dbraw/zinc/49/05/65/532490565.db2.gz XQNLTPLEXMXJFE-QGZVFWFLSA-N 1 1 389.949 2.107 20 0 GEADMO COCCN(C)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000520364739 532490567 /nfs/dbraw/zinc/49/05/67/532490567.db2.gz XQNLTPLEXMXJFE-QGZVFWFLSA-N 1 1 389.949 2.107 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000374108430 532490922 /nfs/dbraw/zinc/49/09/22/532490922.db2.gz PUWKCCBZSWFPPS-FZMZJTMJSA-N 1 1 387.311 2.362 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000374108432 532491205 /nfs/dbraw/zinc/49/12/05/532491205.db2.gz PUWKCCBZSWFPPS-SMDDNHRTSA-N 1 1 387.311 2.362 20 0 GEADMO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1nnc2n1CCC2 ZINC000562988415 532492189 /nfs/dbraw/zinc/49/21/89/532492189.db2.gz ZJGCRFGURVTZFR-GWCFXTLKSA-N 1 1 399.264 2.216 20 0 GEADMO C[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@H+]1CC(C)(C)O ZINC000282750594 532492631 /nfs/dbraw/zinc/49/26/31/532492631.db2.gz OBIOFEKVCZHCNB-NSHDSACASA-N 1 1 395.301 2.243 20 0 GEADMO C[N@@H+](CCn1cc(Br)cn1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685477409 532493064 /nfs/dbraw/zinc/49/30/64/532493064.db2.gz UCKRWOVXMSYHTE-UHFFFAOYSA-N 1 1 387.303 2.149 20 0 GEADMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469179038 532495752 /nfs/dbraw/zinc/49/57/52/532495752.db2.gz GJRGOSKHPIHNNG-ZDUSSCGKSA-N 1 1 387.548 2.412 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000429299532 532474028 /nfs/dbraw/zinc/47/40/28/532474028.db2.gz ZKKXGTJOJOPJOK-AWEZNQCLSA-N 1 1 398.345 2.442 20 0 GEADMO C[C@@H](NC(=O)N1CCOc2c(Br)cccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000684275511 532474394 /nfs/dbraw/zinc/47/43/94/532474394.db2.gz DADBGRGACQXRIB-DOMZBBRYSA-N 1 1 398.301 2.072 20 0 GEADMO C[C@@H](NC(=O)N1CCOc2c(Br)cccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684275511 532474402 /nfs/dbraw/zinc/47/44/02/532474402.db2.gz DADBGRGACQXRIB-DOMZBBRYSA-N 1 1 398.301 2.072 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)NC[C@@H]2CCCSC2)c2cccs2)CC1 ZINC000519663909 532474692 /nfs/dbraw/zinc/47/46/92/532474692.db2.gz SZISNAMQWMYUGX-JKSUJKDBSA-N 1 1 382.599 2.479 20 0 GEADMO CCc1cc(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n[nH]1 ZINC000562634691 532475003 /nfs/dbraw/zinc/47/50/03/532475003.db2.gz CMFJUNNBZUTDQA-UHFFFAOYSA-N 1 1 393.289 2.134 20 0 GEADMO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684253868 532475057 /nfs/dbraw/zinc/47/50/57/532475057.db2.gz VFMJZUGVFMFXBT-CYBMUJFWSA-N 1 1 393.285 2.262 20 0 GEADMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1sc(Br)cc1C ZINC000651547884 532475113 /nfs/dbraw/zinc/47/51/13/532475113.db2.gz BXJUSLMTRRLVDN-LLVKDONJSA-N 1 1 397.360 2.208 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1sc(Br)cc1C ZINC000651547884 532475119 /nfs/dbraw/zinc/47/51/19/532475119.db2.gz BXJUSLMTRRLVDN-LLVKDONJSA-N 1 1 397.360 2.208 20 0 GEADMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)s2)cn1 ZINC000282797027 532496689 /nfs/dbraw/zinc/49/66/89/532496689.db2.gz MTIPUHLGGJAVNP-HNNXBMFYSA-N 1 1 380.539 2.149 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)COc1cccc(I)c1 ZINC000469382395 532502335 /nfs/dbraw/zinc/50/23/35/532502335.db2.gz XBTLRZBJMRLRDP-LBPRGKRZSA-N 1 1 388.249 2.223 20 0 GEADMO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)C[NH+]1CCOCC1 ZINC000282874457 532502708 /nfs/dbraw/zinc/50/27/08/532502708.db2.gz VKAKZUVLMQKFHV-LLVKDONJSA-N 1 1 381.274 2.024 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)n(C)c2=O)C[C@@H]1C ZINC000469456044 532503318 /nfs/dbraw/zinc/50/33/18/532503318.db2.gz BIZLLBJMNZCHEA-WCQYABFASA-N 1 1 384.318 2.401 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000521114560 532506534 /nfs/dbraw/zinc/50/65/34/532506534.db2.gz CTMPUWXCYAUCNC-LBPRGKRZSA-N 1 1 383.290 2.029 20 0 GEADMO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000237295409 532507493 /nfs/dbraw/zinc/50/74/93/532507493.db2.gz NEIISJDUJKMJGY-CQSZACIVSA-N 1 1 393.285 2.476 20 0 GEADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000469627027 532507562 /nfs/dbraw/zinc/50/75/62/532507562.db2.gz GSJLSZWHBDMHQA-IAGOWNOFSA-N 1 1 397.313 2.458 20 0 GEADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000469627027 532507567 /nfs/dbraw/zinc/50/75/67/532507567.db2.gz GSJLSZWHBDMHQA-IAGOWNOFSA-N 1 1 397.313 2.458 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296225161 532507927 /nfs/dbraw/zinc/50/79/27/532507927.db2.gz QAVCGRBAXVAEDU-AGUYFDCRSA-N 1 1 380.286 2.437 20 0 GEADMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594460895 532508026 /nfs/dbraw/zinc/50/80/26/532508026.db2.gz BBVDXMNSTFMQGT-GFCCVEGCSA-N 1 1 392.880 2.371 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594460895 532508031 /nfs/dbraw/zinc/50/80/31/532508031.db2.gz BBVDXMNSTFMQGT-GFCCVEGCSA-N 1 1 392.880 2.371 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296256351 532509952 /nfs/dbraw/zinc/50/99/52/532509952.db2.gz SCEVCGZSDLKGAA-GOOCMWNKSA-N 1 1 380.286 2.437 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)COc2cccc(I)c2)CC[N@@H+]1C ZINC000469724333 532510050 /nfs/dbraw/zinc/51/00/50/532510050.db2.gz FGEQIRHLIYEUNC-NEPJUHHUSA-N 1 1 388.249 2.221 20 0 GEADMO C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCC[N@H+]1C ZINC000469763625 532511480 /nfs/dbraw/zinc/51/14/80/532511480.db2.gz KOTZXRQSIZGCLM-DDTOSNHZSA-N 1 1 380.286 2.474 20 0 GEADMO COC(=O)c1cn(CC[NH2+]Cc2oc3ccccc3c2Br)nn1 ZINC000594506246 532511985 /nfs/dbraw/zinc/51/19/85/532511985.db2.gz OAYKXSTVGVAODZ-UHFFFAOYSA-N 1 1 379.214 2.363 20 0 GEADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1C ZINC000469846677 532514239 /nfs/dbraw/zinc/51/42/39/532514239.db2.gz NYDPTTROOJKXNW-GWCFXTLKSA-N 1 1 389.315 2.352 20 0 GEADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1C ZINC000469846677 532514240 /nfs/dbraw/zinc/51/42/40/532514240.db2.gz NYDPTTROOJKXNW-GWCFXTLKSA-N 1 1 389.315 2.352 20 0 GEADMO [NH3+]Cc1nc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000238022999 532515002 /nfs/dbraw/zinc/51/50/02/532515002.db2.gz CBQNBVZQIZFDFW-UHFFFAOYSA-N 1 1 378.885 2.244 20 0 GEADMO [NH3+]Cc1nc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC000238023089 532515700 /nfs/dbraw/zinc/51/57/00/532515700.db2.gz FVZUQPQYSOZJQQ-UHFFFAOYSA-N 1 1 378.885 2.244 20 0 GEADMO C[N@H+](Cc1cc(Br)cc(Br)c1N)[C@H]1CCNC1=O ZINC000469981400 532516429 /nfs/dbraw/zinc/51/64/29/532516429.db2.gz JSGIVKQMHOELBY-JTQLQIEISA-N 1 1 377.080 2.114 20 0 GEADMO C[N@@H+](Cc1cc(Br)cc(Br)c1N)[C@H]1CCNC1=O ZINC000469981400 532516434 /nfs/dbraw/zinc/51/64/34/532516434.db2.gz JSGIVKQMHOELBY-JTQLQIEISA-N 1 1 377.080 2.114 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000296379850 532517332 /nfs/dbraw/zinc/51/73/32/532517332.db2.gz UACUOWHVJMJHSO-WFASDCNBSA-N 1 1 377.286 2.433 20 0 GEADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1C ZINC000470003545 532517992 /nfs/dbraw/zinc/51/79/92/532517992.db2.gz RQAGZZGDPXVVIW-JSGCOSHPSA-N 1 1 383.286 2.291 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@@]2(C)CCCO2)CC1 ZINC000521828544 532518353 /nfs/dbraw/zinc/51/83/53/532518353.db2.gz RZZUAUQZRNKSHI-MRXNPFEDSA-N 1 1 383.290 2.104 20 0 GEADMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000685838014 532499324 /nfs/dbraw/zinc/49/93/24/532499324.db2.gz HJNDZEYLGQSNRY-QGZVFWFLSA-N 1 1 390.285 2.132 20 0 GEADMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000685838014 532499331 /nfs/dbraw/zinc/49/93/31/532499331.db2.gz HJNDZEYLGQSNRY-QGZVFWFLSA-N 1 1 390.285 2.132 20 0 GEADMO COCCC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000282842493 532500207 /nfs/dbraw/zinc/50/02/07/532500207.db2.gz RUHCNEGXVCDOJX-OAHLLOKOSA-N 1 1 383.539 2.174 20 0 GEADMO COCCC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000282842493 532500213 /nfs/dbraw/zinc/50/02/13/532500213.db2.gz RUHCNEGXVCDOJX-OAHLLOKOSA-N 1 1 383.539 2.174 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000469322350 532500733 /nfs/dbraw/zinc/50/07/33/532500733.db2.gz ZEORFHRAXRLTRT-KBPBESRZSA-N 1 1 390.933 2.468 20 0 GEADMO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000469322350 532500736 /nfs/dbraw/zinc/50/07/36/532500736.db2.gz ZEORFHRAXRLTRT-KBPBESRZSA-N 1 1 390.933 2.468 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000563364522 532501490 /nfs/dbraw/zinc/50/14/90/532501490.db2.gz OGBIIJMFKUDISU-SJORKVTESA-N 1 1 397.313 2.460 20 0 GEADMO O=S(=O)(NCc1c[nH+]c2n1CCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000375106651 532535121 /nfs/dbraw/zinc/53/51/21/532535121.db2.gz UAGLYGYTQRVSHP-UHFFFAOYSA-N 1 1 383.857 2.123 20 0 GEADMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000246242978 532535845 /nfs/dbraw/zinc/53/58/45/532535845.db2.gz IDNVDPXQNDZWLJ-OLZOCXBDSA-N 1 1 386.901 2.374 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN(C)Cc1cc(Br)ccc1Cl ZINC000653641987 532538565 /nfs/dbraw/zinc/53/85/65/532538565.db2.gz UUCOSIPNVKNTPR-AWEZNQCLSA-N 1 1 379.726 2.473 20 0 GEADMO O=C(NC[C@@H](O)c1cccc(Br)c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000283445028 532540345 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399.314 2.191 20 0 GEADMO C[N@@H+](CC(=O)N1CCOCC1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529518202 532606348 /nfs/dbraw/zinc/60/63/48/532606348.db2.gz AUQCLDHHGQZUTJ-UHFFFAOYSA-N 1 1 399.314 2.191 20 0 GEADMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000434994115 532606447 /nfs/dbraw/zinc/60/64/47/532606447.db2.gz HJONNGQHRUSLKU-QMMMGPOBSA-N 1 1 380.176 2.346 20 0 GEADMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000434994115 532606454 /nfs/dbraw/zinc/60/64/54/532606454.db2.gz HJONNGQHRUSLKU-QMMMGPOBSA-N 1 1 380.176 2.346 20 0 GEADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1csc(Br)c1 ZINC000284665830 532608581 /nfs/dbraw/zinc/60/85/81/532608581.db2.gz FEQWJEOZMMODJI-JDGPPOGSSA-N 1 1 381.299 2.430 20 0 GEADMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cncc(Br)c2)CCC[N@H+]1C ZINC000284663904 532609325 /nfs/dbraw/zinc/60/93/25/532609325.db2.gz UTCASDFWXJAYCK-BLLLJJGKSA-N 1 1 392.301 2.391 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCN2CCCC2=O)c1 ZINC000566660303 532621932 /nfs/dbraw/zinc/62/19/32/532621932.db2.gz SMERJYNDYQGMLR-INIZCTEOSA-N 1 1 385.302 2.435 20 0 GEADMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCN2CCCC2=O)c1 ZINC000566660303 532621939 /nfs/dbraw/zinc/62/19/39/532621939.db2.gz SMERJYNDYQGMLR-INIZCTEOSA-N 1 1 385.302 2.435 20 0 GEADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000529666326 532611641 /nfs/dbraw/zinc/61/16/41/532611641.db2.gz WPJODMINIONHKC-CQSZACIVSA-N 1 1 396.329 2.223 20 0 GEADMO CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000529666326 532611646 /nfs/dbraw/zinc/61/16/46/532611646.db2.gz WPJODMINIONHKC-CQSZACIVSA-N 1 1 396.329 2.223 20 0 GEADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000297920987 532612766 /nfs/dbraw/zinc/61/27/66/532612766.db2.gz SZBPJTPEKPEQHM-ZDUSSCGKSA-N 1 1 382.555 2.343 20 0 GEADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000297920987 532612770 /nfs/dbraw/zinc/61/27/70/532612770.db2.gz SZBPJTPEKPEQHM-ZDUSSCGKSA-N 1 1 382.555 2.343 20 0 GEADMO O=S(=O)(Cc1ncsc1Br)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000632539417 532622675 /nfs/dbraw/zinc/62/26/75/532622675.db2.gz HJIVSKHVUBDZEE-CMPLNLGQSA-N 1 1 394.360 2.342 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000566674667 532623691 /nfs/dbraw/zinc/62/36/91/532623691.db2.gz FKFHJBWVSONTIN-SNVBAGLBSA-N 1 1 375.803 2.338 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376686213 532624175 /nfs/dbraw/zinc/62/41/75/532624175.db2.gz HXEWDPYHRFGUIK-GFCCVEGCSA-N 1 1 382.555 2.204 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000298126134 532628718 /nfs/dbraw/zinc/62/87/18/532628718.db2.gz KQXOOVXIJYUNRN-CQSZACIVSA-N 1 1 381.885 2.494 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+]1CCC[C@H](C)C1 ZINC000284883135 532630054 /nfs/dbraw/zinc/63/00/54/532630054.db2.gz VVWABHWONIPLRJ-NWDGAFQWSA-N 1 1 383.290 2.019 20 0 GEADMO C[NH+](C)C[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000632612136 532631147 /nfs/dbraw/zinc/63/11/47/532631147.db2.gz DVNKRARQIDHHRV-SWLSCSKDSA-N 1 1 380.432 2.264 20 0 GEADMO C[NH+](C)C[C@H](NS(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000632612552 532631609 /nfs/dbraw/zinc/63/16/09/532631609.db2.gz QRJYZSKICYFXPK-NSHDSACASA-N 1 1 395.428 2.449 20 0 GEADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CSc1ccc(Cl)cc1 ZINC000263650636 532631992 /nfs/dbraw/zinc/63/19/92/532631992.db2.gz DMTXYYYBVHNIAX-INIZCTEOSA-N 1 1 383.945 2.491 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000475179377 532639691 /nfs/dbraw/zinc/63/96/91/532639691.db2.gz AKYUJNZAGHREQZ-GWCFXTLKSA-N 1 1 386.265 2.434 20 0 GEADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000475187533 532639741 /nfs/dbraw/zinc/63/97/41/532639741.db2.gz RFQHAFQGNCPJPM-UHFFFAOYSA-N 1 1 386.265 2.389 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475583744 532642802 /nfs/dbraw/zinc/64/28/02/532642802.db2.gz ANKQEBXEYWOMKR-CQSZACIVSA-N 1 1 388.917 2.270 20 0 GEADMO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000475583744 532642806 /nfs/dbraw/zinc/64/28/06/532642806.db2.gz ANKQEBXEYWOMKR-CQSZACIVSA-N 1 1 388.917 2.270 20 0 GEADMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000532043645 532643147 /nfs/dbraw/zinc/64/31/47/532643147.db2.gz JHUXQZDQTQXYFK-SNVBAGLBSA-N 1 1 388.693 2.499 20 0 GEADMO Brc1ccc(-n2cc(CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)cc1 ZINC000567159414 532643250 /nfs/dbraw/zinc/64/32/50/532643250.db2.gz YJCGNPCVADEITR-ROUUACIJSA-N 1 1 391.313 2.491 20 0 GEADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000567186858 532643868 /nfs/dbraw/zinc/64/38/68/532643868.db2.gz IQUZJSRIJJTAKR-ZDUSSCGKSA-N 1 1 384.318 2.474 20 0 GEADMO C[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000377120040 532644444 /nfs/dbraw/zinc/64/44/44/532644444.db2.gz LWFUQEXDAISGSU-HNHYXYPQSA-N 1 1 393.336 2.165 20 0 GEADMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656914657 532645090 /nfs/dbraw/zinc/64/50/90/532645090.db2.gz VGATXPSHDGAHAS-UHFFFAOYSA-N 1 1 378.897 2.088 20 0 GEADMO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298365536 532645175 /nfs/dbraw/zinc/64/51/75/532645175.db2.gz NIEZFSDPZWLSSS-SKDRFNHKSA-N 1 1 383.208 2.481 20 0 GEADMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298365536 532645180 /nfs/dbraw/zinc/64/51/80/532645180.db2.gz NIEZFSDPZWLSSS-SKDRFNHKSA-N 1 1 383.208 2.481 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2Br)C[C@@H]1C ZINC000656912819 532645587 /nfs/dbraw/zinc/64/55/87/532645587.db2.gz AOSJBOZSLYSXKB-NWDGAFQWSA-N 1 1 376.320 2.337 20 0 GEADMO O=C(NCCCn1cc(Br)cn1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377138078 532645579 /nfs/dbraw/zinc/64/55/79/532645579.db2.gz HWWKSQVMQUHMNF-INIZCTEOSA-N 1 1 377.286 2.426 20 0 GEADMO O=C(NCCCn1cc(Br)cn1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000377138078 532645586 /nfs/dbraw/zinc/64/55/86/532645586.db2.gz HWWKSQVMQUHMNF-INIZCTEOSA-N 1 1 377.286 2.426 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000474586256 532622482 /nfs/dbraw/zinc/62/24/82/532622482.db2.gz UUZVUZLEJZFGKX-INIZCTEOSA-N 1 1 381.929 2.408 20 0 GEADMO Cn1cc[nH+]c1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000534109136 532669186 /nfs/dbraw/zinc/66/91/86/532669186.db2.gz AZKSWYGKOZMTFG-CQSZACIVSA-N 1 1 385.295 2.289 20 0 GEADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000533154992 532660632 /nfs/dbraw/zinc/66/06/32/532660632.db2.gz BLXIODCPEPPINQ-UHFFFAOYSA-N 1 1 394.191 2.228 20 0 GEADMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000633153141 532661355 /nfs/dbraw/zinc/66/13/55/532661355.db2.gz HZTZTVDIKBDVEP-LLVKDONJSA-N 1 1 386.265 2.309 20 0 GEADMO COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000285239315 532661954 /nfs/dbraw/zinc/66/19/54/532661954.db2.gz CUPLJCAMNHSTKJ-HZPDHXFCSA-N 1 1 397.317 2.315 20 0 GEADMO COC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000298610371 532663777 /nfs/dbraw/zinc/66/37/77/532663777.db2.gz TXIWLILEYZLCOL-OAHLLOKOSA-N 1 1 391.917 2.374 20 0 GEADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccsc2Cl)c1 ZINC000480363039 532664448 /nfs/dbraw/zinc/66/44/48/532664448.db2.gz JCCHPTWFFWFYRJ-SNVBAGLBSA-N 1 1 387.914 2.426 20 0 GEADMO CN(C(=O)c1ccc(Br)cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377638131 532665857 /nfs/dbraw/zinc/66/58/57/532665857.db2.gz ATWFDGITOJXOKS-OAHLLOKOSA-N 1 1 381.318 2.085 20 0 GEADMO CN(C(=O)c1ccc(Br)cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377638131 532665862 /nfs/dbraw/zinc/66/58/62/532665862.db2.gz ATWFDGITOJXOKS-OAHLLOKOSA-N 1 1 381.318 2.085 20 0 GEADMO CC(C)[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)S(=O)(=O)C1CCCCC1 ZINC000481190945 532666730 /nfs/dbraw/zinc/66/67/30/532666730.db2.gz MCHJLGKZMWYDGC-WMZOPIPTSA-N 1 1 390.615 2.312 20 0 GEADMO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000599570609 532666740 /nfs/dbraw/zinc/66/67/40/532666740.db2.gz SPFJCKLTTQXYQM-DIFFPNOSSA-N 1 1 389.279 2.435 20 0 GEADMO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000599570609 532666741 /nfs/dbraw/zinc/66/67/41/532666741.db2.gz SPFJCKLTTQXYQM-DIFFPNOSSA-N 1 1 389.279 2.435 20 0 GEADMO Cn1cc[nH+]c1N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000534109135 532668402 /nfs/dbraw/zinc/66/84/02/532668402.db2.gz AZKSWYGKOZMTFG-AWEZNQCLSA-N 1 1 385.295 2.289 20 0 GEADMO COC1CCN(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000656920366 532646738 /nfs/dbraw/zinc/64/67/38/532646738.db2.gz WFQYUGSJFKGXCG-RHSMWYFYSA-N 1 1 387.571 2.076 20 0 GEADMO CCSCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000567365292 532651131 /nfs/dbraw/zinc/65/11/31/532651131.db2.gz VKHHOMRPGIMKEO-KBPBESRZSA-N 1 1 383.583 2.259 20 0 GEADMO CCSCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000567365292 532651134 /nfs/dbraw/zinc/65/11/34/532651134.db2.gz VKHHOMRPGIMKEO-KBPBESRZSA-N 1 1 383.583 2.259 20 0 GEADMO Cc1cc(Br)c2c(c1)CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC000632995704 532654330 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Cc1nn2cc(S(=O)(=O)NC[C@@H]3CC[N@H+](C(C)(C)C)C3)cnc2c1Cl ZINC000657035567 532658086 /nfs/dbraw/zinc/65/80/86/532658086.db2.gz ZECWCWJWEYFYEQ-LBPRGKRZSA-N 1 1 385.921 2.090 20 0 GEADMO COc1ccc(Br)cc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000532976096 532658987 /nfs/dbraw/zinc/65/89/87/532658987.db2.gz HWAQQDDBBAMBOL-UHFFFAOYSA-N 1 1 379.258 2.154 20 0 GEADMO Cc1sc(Br)nc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000298886544 532683708 /nfs/dbraw/zinc/68/37/08/532683708.db2.gz IHWJXABWRVDXAM-LLVKDONJSA-N 1 1 376.320 2.181 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000638167756 532684138 /nfs/dbraw/zinc/68/41/38/532684138.db2.gz HLXPBIQGVPIJKP-OCCSQVGLSA-N 1 1 389.315 2.097 20 0 GEADMO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000638167756 532684142 /nfs/dbraw/zinc/68/41/42/532684142.db2.gz HLXPBIQGVPIJKP-OCCSQVGLSA-N 1 1 389.315 2.097 20 0 GEADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(C)c(C(F)(F)F)s2)C1 ZINC000568697107 532684558 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Cc1nc(NCC[NH+]2CCN(c3ncccn3)CC2)ccc1Br ZINC000302092849 532765955 /nfs/dbraw/zinc/76/59/55/532765955.db2.gz QKODAMRPKBZVFX-UHFFFAOYSA-N 1 1 377.290 2.177 20 0 GEADMO C[NH+](C)CCN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000542171748 532766299 /nfs/dbraw/zinc/76/62/99/532766299.db2.gz HJEOZKIOSBSDAM-HNNXBMFYSA-N 1 1 382.551 2.132 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)[C@H](C)C1 ZINC000411572527 532767897 /nfs/dbraw/zinc/76/78/97/532767897.db2.gz RBZGIVAYVVLMPD-CHWSQXEVSA-N 1 1 380.539 2.197 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)nc12 ZINC000542767965 532779687 /nfs/dbraw/zinc/77/96/87/532779687.db2.gz GWPLGYDCHSBQNY-CYBMUJFWSA-N 1 1 392.301 2.441 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268610515 532768843 /nfs/dbraw/zinc/76/88/43/532768843.db2.gz YIUNDXIXZAVLNV-HNNXBMFYSA-N 1 1 382.917 2.277 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268610515 532768846 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CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1Br ZINC000269577857 532783141 /nfs/dbraw/zinc/78/31/41/532783141.db2.gz OTWMQKGJOZDHFJ-UHFFFAOYSA-N 1 1 381.274 2.278 20 0 GEADMO CNC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000412057175 532784165 /nfs/dbraw/zinc/78/41/65/532784165.db2.gz WPFTXDQHLMGSPD-NSHDSACASA-N 1 1 383.290 2.170 20 0 GEADMO CN1CC[N@H+](C)C[C@H]1c1noc(-c2csc(I)c2)n1 ZINC000545794727 532784494 /nfs/dbraw/zinc/78/44/94/532784494.db2.gz VHXFIGXDKXDJHI-VIFPVBQESA-N 1 1 390.250 2.321 20 0 GEADMO CN1CC[N@@H+](C)C[C@H]1c1noc(-c2csc(I)c2)n1 ZINC000545794727 532784496 /nfs/dbraw/zinc/78/44/96/532784496.db2.gz VHXFIGXDKXDJHI-VIFPVBQESA-N 1 1 390.250 2.321 20 0 GEADMO C[C@H](O)[C@H]1C[N@H+](CCCOc2cccc(I)c2)CCO1 ZINC000412091209 532785068 /nfs/dbraw/zinc/78/50/68/532785068.db2.gz PTROBCIMSKVWRA-SWLSCSKDSA-N 1 1 391.249 2.142 20 0 GEADMO C[C@H](O)[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CCO1 ZINC000412091209 532785071 /nfs/dbraw/zinc/78/50/71/532785071.db2.gz PTROBCIMSKVWRA-SWLSCSKDSA-N 1 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/nfs/dbraw/zinc/78/79/66/532787966.db2.gz OCMWJCMZTUDICE-GFCCVEGCSA-N 1 1 394.313 2.306 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000457920487 532791540 /nfs/dbraw/zinc/79/15/40/532791540.db2.gz FIAKCMRQWPISTE-AWEZNQCLSA-N 1 1 387.933 2.145 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[N@H+]1C ZINC000458640832 532794169 /nfs/dbraw/zinc/79/41/69/532794169.db2.gz HYYUGLPOTUNEPR-CAPXZKIUSA-N 1 1 397.317 2.456 20 0 GEADMO O=C(NCc1ccsc1Br)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458745936 532794595 /nfs/dbraw/zinc/79/45/95/532794595.db2.gz PYBVQGGMKRCOMC-GFCCVEGCSA-N 1 1 376.320 2.157 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000287436358 532795497 /nfs/dbraw/zinc/79/54/97/532795497.db2.gz BVQZWHPNRUAKQM-QMMMGPOBSA-N 1 1 392.656 2.248 20 0 GEADMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCSC1)c1ccccc1Cl ZINC000550034930 532796984 /nfs/dbraw/zinc/79/69/84/532796984.db2.gz OJANCVPPVADEJE-BBRMVZONSA-N 1 1 383.945 2.461 20 0 GEADMO 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Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCS(=O)(=O)N(C)C ZINC000289455091 532855343 /nfs/dbraw/zinc/85/53/43/532855343.db2.gz BYICOWUARYGGRX-UHFFFAOYSA-N 1 1 388.896 2.013 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415781540 532857450 /nfs/dbraw/zinc/85/74/50/532857450.db2.gz LLSPOVGSHNBGBW-CQSZACIVSA-N 1 1 381.757 2.457 20 0 GEADMO CC(C)[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000289524881 532857510 /nfs/dbraw/zinc/85/75/10/532857510.db2.gz MOSLJQKDJIKIRC-UHFFFAOYSA-N 1 1 396.340 2.118 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000332504913 532857045 /nfs/dbraw/zinc/85/70/45/532857045.db2.gz FMOIOMZSROEWSQ-QWHCGFSZSA-N 1 1 395.297 2.138 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415771240 532857050 /nfs/dbraw/zinc/85/70/50/532857050.db2.gz CVQUMFGWPSHZHZ-HNNXBMFYSA-N 1 1 379.766 2.040 20 0 GEADMO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)s1 ZINC000415776613 532857109 /nfs/dbraw/zinc/85/71/09/532857109.db2.gz XJQIWGGZCYNPLE-INIZCTEOSA-N 1 1 382.486 2.279 20 0 GEADMO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)C[C@H]1[NH+]1CCOCC1 ZINC000332617595 532858636 /nfs/dbraw/zinc/85/86/36/532858636.db2.gz BLUZJDQVVOPMJF-TZMCWYRMSA-N 1 1 383.290 2.419 20 0 GEADMO CN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CCC[N@@H+](C)C1 ZINC000332648724 532859451 /nfs/dbraw/zinc/85/94/51/532859451.db2.gz XOYSFOGHIOPOPF-LBPRGKRZSA-N 1 1 378.270 2.457 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Br)c1 ZINC000289605579 532860462 /nfs/dbraw/zinc/86/04/62/532860462.db2.gz KZSJDLLAQFAHFX-PXAZEXFGSA-N 1 1 396.285 2.410 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c(=O)n1C ZINC000289634612 532861193 /nfs/dbraw/zinc/86/11/93/532861193.db2.gz JDHNOGMFELKULO-MFKMUULPSA-N 1 1 395.257 2.042 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c(=O)n1C ZINC000289634612 532861195 /nfs/dbraw/zinc/86/11/95/532861195.db2.gz JDHNOGMFELKULO-MFKMUULPSA-N 1 1 395.257 2.042 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333159891 532865600 /nfs/dbraw/zinc/86/56/00/532865600.db2.gz LSGYNPUOIUIAMT-CQSZACIVSA-N 1 1 395.301 2.186 20 0 GEADMO Cn1cc(Br)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000333151559 532865626 /nfs/dbraw/zinc/86/56/26/532865626.db2.gz FUQZNMRKUKAQNG-WBMJQRKESA-N 1 1 396.333 2.341 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)ccc1Br ZINC000275138407 532865704 /nfs/dbraw/zinc/86/57/04/532865704.db2.gz DAUUQIPOCUCTKH-XHDPSFHLSA-N 1 1 381.274 2.141 20 0 GEADMO O=C(Nc1cc(F)ccc1Br)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333195435 532865807 /nfs/dbraw/zinc/86/58/07/532865807.db2.gz WDFNBPCOTRZUHT-LBPRGKRZSA-N 1 1 399.264 2.016 20 0 GEADMO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000333285069 532866668 /nfs/dbraw/zinc/86/66/68/532866668.db2.gz KIFDUZPHYIEULK-CYBMUJFWSA-N 1 1 391.273 2.342 20 0 GEADMO COC(=O)Cc1cccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000289877995 532867240 /nfs/dbraw/zinc/86/72/40/532867240.db2.gz REMZICKNTJJAKA-MRXNPFEDSA-N 1 1 382.507 2.045 20 0 GEADMO C[N@@H+]1CCN(CCNCc2cn3ccc(Br)cc3n2)CC1(C)C ZINC000289903742 532867767 /nfs/dbraw/zinc/86/77/67/532867767.db2.gz REERTNKJHPJVBX-UHFFFAOYSA-N 1 1 380.334 2.212 20 0 GEADMO C[N@H+]1CCN(CCNCc2cn3ccc(Br)cc3n2)CC1(C)C ZINC000289903742 532867770 /nfs/dbraw/zinc/86/77/70/532867770.db2.gz REERTNKJHPJVBX-UHFFFAOYSA-N 1 1 380.334 2.212 20 0 GEADMO Cc1cccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1Br ZINC000333403210 532868104 /nfs/dbraw/zinc/86/81/04/532868104.db2.gz YYEGTXATUFQFAB-ZDUSSCGKSA-N 1 1 395.301 2.186 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000275217811 532869049 /nfs/dbraw/zinc/86/90/49/532869049.db2.gz KODPCNSGFWCELH-NEPJUHHUSA-N 1 1 377.432 2.106 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000275217811 532869053 /nfs/dbraw/zinc/86/90/53/532869053.db2.gz KODPCNSGFWCELH-NEPJUHHUSA-N 1 1 377.432 2.106 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416308538 532869977 /nfs/dbraw/zinc/86/99/77/532869977.db2.gz MHBZMNLVMGXFHO-OSRSDYAFSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416308538 532869983 /nfs/dbraw/zinc/86/99/83/532869983.db2.gz MHBZMNLVMGXFHO-OSRSDYAFSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C[N@@H+]1CCO ZINC000416309842 532870238 /nfs/dbraw/zinc/87/02/38/532870238.db2.gz NJPLJEWCYNICML-MNOVXSKESA-N 1 1 391.256 2.183 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C[N@H+]1CCO ZINC000416309842 532870241 /nfs/dbraw/zinc/87/02/41/532870241.db2.gz NJPLJEWCYNICML-MNOVXSKESA-N 1 1 391.256 2.183 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1Br ZINC000416308113 532870417 /nfs/dbraw/zinc/87/04/17/532870417.db2.gz LVKPDEUNYXFZNL-VHSXEESVSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(F)cc1Br ZINC000416308113 532870420 /nfs/dbraw/zinc/87/04/20/532870420.db2.gz LVKPDEUNYXFZNL-VHSXEESVSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CSc1cccc(Br)c1 ZINC000416316061 532870547 /nfs/dbraw/zinc/87/05/47/532870547.db2.gz VQHYOZOTYGINGM-CHWSQXEVSA-N 1 1 387.343 2.455 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CSc1cccc(Br)c1 ZINC000416316061 532870549 /nfs/dbraw/zinc/87/05/49/532870549.db2.gz VQHYOZOTYGINGM-CHWSQXEVSA-N 1 1 387.343 2.455 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416317585 532870755 /nfs/dbraw/zinc/87/07/55/532870755.db2.gz XBRTYEGMMBKODL-MCIONIFRSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416317585 532870757 /nfs/dbraw/zinc/87/07/57/532870757.db2.gz XBRTYEGMMBKODL-MCIONIFRSA-N 1 1 385.302 2.130 20 0 GEADMO COc1cc(Br)ccc1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416318921 532870966 /nfs/dbraw/zinc/87/09/66/532870966.db2.gz YCONNKMJRPDLTM-ZIAGYGMSSA-N 1 1 399.329 2.304 20 0 GEADMO Cc1c(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000333741014 532873005 /nfs/dbraw/zinc/87/30/05/532873005.db2.gz VVIXVHDOGGQDHU-CJNGLKHVSA-N 1 1 380.901 2.159 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000416374849 532873044 /nfs/dbraw/zinc/87/30/44/532873044.db2.gz SIDAAXIPAWZVOB-UHFFFAOYSA-N 1 1 386.901 2.376 20 0 GEADMO O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000333876253 532874844 /nfs/dbraw/zinc/87/48/44/532874844.db2.gz SYKOVYOAZPRNIB-CYBMUJFWSA-N 1 1 377.963 2.098 20 0 GEADMO Cc1ccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Br)c1 ZINC000333908054 532875592 /nfs/dbraw/zinc/87/55/92/532875592.db2.gz DEXUPSKVDJNCPR-ZDUSSCGKSA-N 1 1 395.301 2.186 20 0 GEADMO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000416394327 532875650 /nfs/dbraw/zinc/87/56/50/532875650.db2.gz WYIZROLEBKTFGW-UHFFFAOYSA-N 1 1 387.933 2.161 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3nc4ccc(Br)cn4n3)CC[C@@H]21 ZINC000333934987 532875995 /nfs/dbraw/zinc/87/59/95/532875995.db2.gz JARAGHCWBKOOIR-YPMHNXCESA-N 1 1 378.274 2.048 20 0 GEADMO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000416407410 532876602 /nfs/dbraw/zinc/87/66/02/532876602.db2.gz KBTKRAFRYGXQFQ-RISCZKNCSA-N 1 1 387.933 2.111 20 0 GEADMO C[C@H](NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419530486 532882344 /nfs/dbraw/zinc/88/23/44/532882344.db2.gz ZSVCYUYIITWESY-DCAQKATOSA-N 1 1 380.436 2.319 20 0 GEADMO OC[C@@H]1CCC[N@H+]1CCCCNCc1nc2ccccn2c1Br ZINC000290423046 532880567 /nfs/dbraw/zinc/88/05/67/532880567.db2.gz RDIBEWLVAIKQQP-AWEZNQCLSA-N 1 1 381.318 2.423 20 0 GEADMO NC(=O)C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290452065 532880936 /nfs/dbraw/zinc/88/09/36/532880936.db2.gz OSHZNDXZECBLTI-GFCCVEGCSA-N 1 1 378.274 2.117 20 0 GEADMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290452065 532880938 /nfs/dbraw/zinc/88/09/38/532880938.db2.gz OSHZNDXZECBLTI-GFCCVEGCSA-N 1 1 378.274 2.117 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000420901410 532886817 /nfs/dbraw/zinc/88/68/17/532886817.db2.gz KAHLKFAUSWVFNI-OAHLLOKOSA-N 1 1 383.945 2.489 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000420901409 532887028 /nfs/dbraw/zinc/88/70/28/532887028.db2.gz KAHLKFAUSWVFNI-HNNXBMFYSA-N 1 1 383.945 2.489 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000290578363 532884394 /nfs/dbraw/zinc/88/43/94/532884394.db2.gz ZYVDHBPTSMBYGZ-LLVKDONJSA-N 1 1 385.306 2.328 20 0 GEADMO C[C@@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)N1CC[NH+](C)CC1 ZINC000290813381 532889978 /nfs/dbraw/zinc/88/99/78/532889978.db2.gz FKQUKFCQYADNBQ-ZDUSSCGKSA-N 1 1 393.329 2.225 20 0 GEADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000421308410 532890081 /nfs/dbraw/zinc/89/00/81/532890081.db2.gz YGZVNLZMFHYQCW-ZDUSSCGKSA-N 1 1 398.276 2.030 20 0 GEADMO C[N@H+](CCn1cncn1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276175921 532890292 /nfs/dbraw/zinc/89/02/92/532890292.db2.gz UDTDZCYQBKCSER-UHFFFAOYSA-N 1 1 383.290 2.322 20 0 GEADMO C[N@@H+](CCn1cncn1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276175921 532890294 /nfs/dbraw/zinc/89/02/94/532890294.db2.gz UDTDZCYQBKCSER-UHFFFAOYSA-N 1 1 383.290 2.322 20 0 GEADMO COCC[N@H+]1CC[C@@H](NCc2c(Br)cncc2Br)C1 ZINC000290867696 532891068 /nfs/dbraw/zinc/89/10/68/532891068.db2.gz KZRRZKLZVYLPHH-SNVBAGLBSA-N 1 1 393.123 2.417 20 0 GEADMO COCCN1CC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290867696 532891074 /nfs/dbraw/zinc/89/10/74/532891074.db2.gz KZRRZKLZVYLPHH-SNVBAGLBSA-N 1 1 393.123 2.417 20 0 GEADMO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000360811101 532891206 /nfs/dbraw/zinc/89/12/06/532891206.db2.gz OCYRQNANDZSWEN-INIZCTEOSA-N 1 1 380.901 2.386 20 0 GEADMO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000360811101 532891209 /nfs/dbraw/zinc/89/12/09/532891209.db2.gz OCYRQNANDZSWEN-INIZCTEOSA-N 1 1 380.901 2.386 20 0 GEADMO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000360811102 532891410 /nfs/dbraw/zinc/89/14/10/532891410.db2.gz OCYRQNANDZSWEN-MRXNPFEDSA-N 1 1 380.901 2.386 20 0 GEADMO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000360811102 532891412 /nfs/dbraw/zinc/89/14/12/532891412.db2.gz OCYRQNANDZSWEN-MRXNPFEDSA-N 1 1 380.901 2.386 20 0 GEADMO [NH3+]C[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCCO1 ZINC000424017199 532894731 /nfs/dbraw/zinc/89/47/31/532894731.db2.gz GFFJYKOGRNJKTO-LBPRGKRZSA-N 1 1 379.258 2.029 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccncc1Br ZINC000361300407 532893074 /nfs/dbraw/zinc/89/30/74/532893074.db2.gz VFDNKNKURKKQKA-WWGRRREGSA-N 1 1 382.302 2.463 20 0 GEADMO O=C(NCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)c1ccc(Br)cc1 ZINC000363323286 532898220 /nfs/dbraw/zinc/89/82/20/532898220.db2.gz UZQQFZOVRMZIPK-GOEBONIOSA-N 1 1 394.313 2.170 20 0 GEADMO COC(=O)CSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000362449285 532896188 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20 0 GEADMO O=C(CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO)Nc1ccccc1Br ZINC000363672002 532900160 /nfs/dbraw/zinc/90/01/60/532900160.db2.gz MABUFWPPYSVTOW-CABCVRRESA-N 1 1 396.329 2.309 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000363664237 532900354 /nfs/dbraw/zinc/90/03/54/532900354.db2.gz WZQXHKIJGFVDMA-KRWDZBQOSA-N 1 1 380.330 2.230 20 0 GEADMO CCNC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000276842338 532901986 /nfs/dbraw/zinc/90/19/86/532901986.db2.gz IWRAKYWKZQYVQK-CYBMUJFWSA-N 1 1 386.265 2.011 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363946079 532902276 /nfs/dbraw/zinc/90/22/76/532902276.db2.gz RYGDUCQTAVWCQQ-OLZOCXBDSA-N 1 1 396.285 2.139 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000291470821 532902430 /nfs/dbraw/zinc/90/24/30/532902430.db2.gz PDCDGYLETOWBDR-SNVBAGLBSA-N 1 1 376.682 2.026 20 0 GEADMO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000291387815 532900989 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CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000293128981 532922462 /nfs/dbraw/zinc/92/24/62/532922462.db2.gz QWIJNJVHXOMFII-UHFFFAOYSA-N 1 1 395.301 2.214 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccncc1I ZINC000367123826 532922672 /nfs/dbraw/zinc/92/26/72/532922672.db2.gz YEIVOHFYRCXFKL-VXGBXAGGSA-N 1 1 385.249 2.385 20 0 GEADMO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367157826 532923371 /nfs/dbraw/zinc/92/33/71/532923371.db2.gz JIUFZSQXGQGPQY-DOTOQJQBSA-N 1 1 385.961 2.295 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)[N@@H+](C)C1CC1 ZINC000293338155 532925560 /nfs/dbraw/zinc/92/55/60/532925560.db2.gz IOUJJABLODPFAZ-JTQLQIEISA-N 1 1 395.301 2.259 20 0 GEADMO C[C@@](O)(C[N@@H+]1CCCN(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000293269343 532924568 /nfs/dbraw/zinc/92/45/68/532924568.db2.gz XWLYTRNNUZEAHQ-OAHLLOKOSA-N 1 1 390.709 2.396 20 0 GEADMO C[C@@](O)(C[N@H+]1CCCN(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000293269343 532924569 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C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000293473824 532927628 /nfs/dbraw/zinc/92/76/28/532927628.db2.gz XNNAEDWKOYXEFL-KRWDZBQOSA-N 1 1 384.885 2.032 20 0 GEADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000293355559 532925866 /nfs/dbraw/zinc/92/58/66/532925866.db2.gz XWUWYNSKHIZXQB-LLVKDONJSA-N 1 1 389.315 2.149 20 0 GEADMO C[C@H](C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)N1CC[NH+](C)CC1 ZINC000293816375 532931862 /nfs/dbraw/zinc/93/18/62/532931862.db2.gz DZFZIEVMLVLLRJ-WBVHZDCISA-N 1 1 394.357 2.476 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1 ZINC000368417803 532932329 /nfs/dbraw/zinc/93/23/29/532932329.db2.gz BDJJQPHUIAEDJE-UHFFFAOYSA-N 1 1 385.302 2.377 20 0 GEADMO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CCc2nc[nH]c2C1 ZINC000368207781 532930721 /nfs/dbraw/zinc/93/07/21/532930721.db2.gz GGTYAKZYLRFTIQ-LBPRGKRZSA-N 1 1 381.278 2.006 20 0 GEADMO O=C1NC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]12 ZINC000368213544 532930944 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CC[NH+]1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000736571558 598931449 /nfs/dbraw/zinc/93/14/49/598931449.db2.gz UISQIPUZZRUXIZ-UHFFFAOYSA-N 1 1 392.463 2.223 20 0 GEADMO O=C([C@@H]1Cc2ccccc21)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737793034 598931540 /nfs/dbraw/zinc/93/15/40/598931540.db2.gz UCTGTJDDQNMRHI-HXUWFJFHSA-N 1 1 388.475 2.241 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC000738392755 598934322 /nfs/dbraw/zinc/93/43/22/598934322.db2.gz HCOQNHKBTNIALW-DOTOQJQBSA-N 1 1 399.886 2.210 20 0 GEADMO OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC000738392330 598934547 /nfs/dbraw/zinc/93/45/47/598934547.db2.gz BBPGVMHIJJWFRF-NVXWUHKLSA-N 1 1 382.443 2.301 20 0 GEADMO O[C@H]1CCCC[C@@H]1CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000738387646 598978272 /nfs/dbraw/zinc/97/82/72/598978272.db2.gz BZGDKQOTAUWGKR-BMIGLBTASA-N 1 1 390.394 2.401 20 0 GEADMO COc1ccc(C[N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)c(OC)c1 ZINC000737090324 598981768 /nfs/dbraw/zinc/98/17/68/598981768.db2.gz MWEIESYZLWLTOX-UHFFFAOYSA-N 1 1 399.451 2.403 20 0 GEADMO CC(C)[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000735859028 598990776 /nfs/dbraw/zinc/99/07/76/598990776.db2.gz LGNKKDWUJAGJPZ-UHFFFAOYSA-N 1 1 378.864 2.348 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736565477 598991378 /nfs/dbraw/zinc/99/13/78/598991378.db2.gz KQXYAXWRWKLGIA-JSGCOSHPSA-N 1 1 391.907 2.263 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736565476 598991760 /nfs/dbraw/zinc/99/17/60/598991760.db2.gz KQXYAXWRWKLGIA-GXTWGEPZSA-N 1 1 391.907 2.263 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1(C)C ZINC000736615883 598993700 /nfs/dbraw/zinc/99/37/00/598993700.db2.gz YSGPLSARVFTURB-IRXDYDNUSA-N 1 1 375.473 2.390 20 0 GEADMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612942 598994356 /nfs/dbraw/zinc/99/43/56/598994356.db2.gz 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C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736860366 599033395 /nfs/dbraw/zinc/03/33/95/599033395.db2.gz NYBGVXOIWRINFU-SFHVURJKSA-N 1 1 392.463 2.270 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000737031882 599048543 /nfs/dbraw/zinc/04/85/43/599048543.db2.gz HZNZCFNEBBQHKG-OAHLLOKOSA-N 1 1 383.452 2.137 20 0 GEADMO Cc1cccc(NC2CC[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737399909 599051521 /nfs/dbraw/zinc/05/15/21/599051521.db2.gz OMQRYMWUXWLCAA-IBGZPJMESA-N 1 1 391.479 2.278 20 0 GEADMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000736615053 599063782 /nfs/dbraw/zinc/06/37/82/599063782.db2.gz KJDRWULCSQDFPZ-SWLSCSKDSA-N 1 1 379.896 2.464 20 0 GEADMO CCc1csc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000736702659 599072166 /nfs/dbraw/zinc/07/21/66/599072166.db2.gz SXKUXJGIVSZOIP-HOCLYGCPSA-N 1 1 397.508 2.292 20 0 GEADMO CCc1csc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000736702659 599072169 /nfs/dbraw/zinc/07/21/69/599072169.db2.gz SXKUXJGIVSZOIP-HOCLYGCPSA-N 1 1 397.508 2.292 20 0 GEADMO Cc1csc([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737455753 599072940 /nfs/dbraw/zinc/07/29/40/599072940.db2.gz WTBFPCYSJCKTJI-HUUCEWRRSA-N 1 1 383.481 2.038 20 0 GEADMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736232355 599078890 /nfs/dbraw/zinc/07/88/90/599078890.db2.gz CQLLDBSRMIZSSC-KXBFYZLASA-N 1 1 376.464 2.361 20 0 GEADMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736237219 599080628 /nfs/dbraw/zinc/08/06/28/599080628.db2.gz VHMWHGBJCMIXQL-AYOQOUSVSA-N 1 1 379.464 2.484 20 0 GEADMO NC(=O)[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730399 599098428 /nfs/dbraw/zinc/09/84/28/599098428.db2.gz KEPISQVATJOZJI-RTBURBONSA-N 1 1 397.527 2.027 20 0 GEADMO Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000822510924 599111485 /nfs/dbraw/zinc/11/14/85/599111485.db2.gz YGXQYSBTJCEXND-CQSZACIVSA-N 1 1 378.484 2.374 20 0 GEADMO C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C ZINC000736231783 599135850 /nfs/dbraw/zinc/13/58/50/599135850.db2.gz XTAUFILVROBSLC-GXTWGEPZSA-N 1 1 391.907 2.263 20 0 GEADMO Cc1nc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)cs1 ZINC000737246296 599169417 /nfs/dbraw/zinc/16/94/17/599169417.db2.gz RXFIIZSOOCNKBM-UHFFFAOYSA-N 1 1 384.513 2.356 20 0 GEADMO Cc1nc(C[N@H+]2CCCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)cs1 ZINC000737246296 599169420 /nfs/dbraw/zinc/16/94/20/599169420.db2.gz RXFIIZSOOCNKBM-UHFFFAOYSA-N 1 1 384.513 2.356 20 0 GEADMO O=C(COc1ccc(-c2nn[nH]n2)cc1)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000737919574 599221819 /nfs/dbraw/zinc/22/18/19/599221819.db2.gz VNTFLKDSKUHHDR-SFHVURJKSA-N 1 1 379.420 2.063 20 0 GEADMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736291197 599226009 /nfs/dbraw/zinc/22/60/09/599226009.db2.gz FGURWYMZUXBJOX-RHSMWYFYSA-N 1 1 386.525 2.185 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736792766 599250912 /nfs/dbraw/zinc/25/09/12/599250912.db2.gz NXFBDTPAXSPPSQ-IEBWSBKVSA-N 1 1 397.527 2.168 20 0 GEADMO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822084513 607288162 /nfs/dbraw/zinc/28/81/62/607288162.db2.gz LNWVWVNVMPIOJD-IIAWOOMASA-N 1 1 399.499 2.281 20 0 GEADMO CNC(=O)c1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)cc1 ZINC000736877549 599267701 /nfs/dbraw/zinc/26/77/01/599267701.db2.gz NFEYMLMFLNPUJI-UHFFFAOYSA-N 1 1 387.447 2.425 20 0 GEADMO CCC(CC)[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000736345170 598232751 /nfs/dbraw/zinc/23/27/51/598232751.db2.gz FRVMDUPBFDMKEZ-FQEVSTJZSA-N 1 1 397.483 2.244 20 0 GEADMO CCCC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@H](C)CC ZINC000736456875 598232778 /nfs/dbraw/zinc/23/27/78/598232778.db2.gz LZELERVBBMARAG-VLIAUNLRSA-N 1 1 399.499 2.492 20 0 GEADMO C[C@@H]1CCC[C@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736247498 598232844 /nfs/dbraw/zinc/23/28/44/598232844.db2.gz FEXHQWUJHGIVNR-PSGMQZRDSA-N 1 1 397.483 2.102 20 0 GEADMO Cc1[nH+]ccn1CCCC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737500545 598238436 /nfs/dbraw/zinc/23/84/36/598238436.db2.gz PHSDWDPLZVKDMB-UHFFFAOYSA-N 1 1 395.467 2.222 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H](O)COc2ccc(F)c(F)c2)[nH+]1 ZINC000737239559 598244668 /nfs/dbraw/zinc/24/46/68/598244668.db2.gz DIBJQWLSNCLJRU-NSHDSACASA-N 1 1 376.367 2.009 20 0 GEADMO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)NC1CCCCC1 ZINC000737877314 598249780 /nfs/dbraw/zinc/24/97/80/598249780.db2.gz VZNOBWYHBLEJNO-UHFFFAOYSA-N 1 1 384.484 2.159 20 0 GEADMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736907827 598249842 /nfs/dbraw/zinc/24/98/42/598249842.db2.gz DQXIPUUYXJLXIN-COXVUDFISA-N 1 1 398.467 2.001 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738388896 598253708 /nfs/dbraw/zinc/25/37/08/598253708.db2.gz UHFPWYWGHZHXHH-AEFFLSMTSA-N 1 1 383.427 2.235 20 0 GEADMO O=C(N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1(C(F)(F)F)CC1 ZINC000737993024 598297575 /nfs/dbraw/zinc/29/75/75/598297575.db2.gz NWUBSCIXSLYYTL-UHFFFAOYSA-N 1 1 394.401 2.244 20 0 GEADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736413574 598300031 /nfs/dbraw/zinc/30/00/31/598300031.db2.gz SKEWOKRHSKZNOE-INIZCTEOSA-N 1 1 386.500 2.264 20 0 GEADMO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738410237 598321273 /nfs/dbraw/zinc/32/12/73/598321273.db2.gz XHQRANNKMDCEHO-KBPBESRZSA-N 1 1 377.905 2.433 20 0 GEADMO CC(C)CC[N@@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1CC1 ZINC000735811744 598333577 /nfs/dbraw/zinc/33/35/77/598333577.db2.gz SRDGDTJCRIJCMX-UHFFFAOYSA-N 1 1 397.483 2.099 20 0 GEADMO CCOCC[N@H+]1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736621107 598345372 /nfs/dbraw/zinc/34/53/72/598345372.db2.gz ZJMQRRPSLKPDIS-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO CCOCCN1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736621107 598345374 /nfs/dbraw/zinc/34/53/74/598345374.db2.gz ZJMQRRPSLKPDIS-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO CCOCCN1CC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736621107 598345376 /nfs/dbraw/zinc/34/53/76/598345376.db2.gz ZJMQRRPSLKPDIS-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736202243 598348710 /nfs/dbraw/zinc/34/87/10/598348710.db2.gz HZIZGMSDCARUCK-CYBMUJFWSA-N 1 1 380.456 2.006 20 0 GEADMO Cc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501877 598356796 /nfs/dbraw/zinc/35/67/96/598356796.db2.gz VTFJLLCAALIYOO-QGZVFWFLSA-N 1 1 380.456 2.037 20 0 GEADMO C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736829559 598357603 /nfs/dbraw/zinc/35/76/03/598357603.db2.gz GTYXNTFHANVPCL-INIZCTEOSA-N 1 1 389.467 2.010 20 0 GEADMO C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736796837 598364315 /nfs/dbraw/zinc/36/43/15/598364315.db2.gz CBNXITRROLYIRR-KRWDZBQOSA-N 1 1 394.483 2.026 20 0 GEADMO CC(C)n1ccnc1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735966579 598365565 /nfs/dbraw/zinc/36/55/65/598365565.db2.gz URARLZFEJQTSPF-UHFFFAOYSA-N 1 1 398.490 2.491 20 0 GEADMO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736284685 598365772 /nfs/dbraw/zinc/36/57/72/598365772.db2.gz CVZVYVPIHHVEDH-MGPUTAFESA-N 1 1 396.470 2.246 20 0 GEADMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCCC1 ZINC000736144125 598377092 /nfs/dbraw/zinc/37/70/92/598377092.db2.gz NQRYDRDSEFCQTF-LBPRGKRZSA-N 1 1 392.891 2.474 20 0 GEADMO CC(C)c1nccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000735944212 598385441 /nfs/dbraw/zinc/38/54/41/598385441.db2.gz ZEKAAEHHEULTAT-UHFFFAOYSA-N 1 1 378.484 2.492 20 0 GEADMO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737880116 598396387 /nfs/dbraw/zinc/39/63/87/598396387.db2.gz YXTIPRFREFWOPF-AZUAARDMSA-N 1 1 392.463 2.393 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737880116 598396389 /nfs/dbraw/zinc/39/63/89/598396389.db2.gz YXTIPRFREFWOPF-AZUAARDMSA-N 1 1 392.463 2.393 20 0 GEADMO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876158 598396515 /nfs/dbraw/zinc/39/65/15/598396515.db2.gz HQLBLIOFBUJYJW-NVXWUHKLSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876158 598396516 /nfs/dbraw/zinc/39/65/16/598396516.db2.gz HQLBLIOFBUJYJW-NVXWUHKLSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737880124 598396659 /nfs/dbraw/zinc/39/66/59/598396659.db2.gz YXTIPRFREFWOPF-UYAOXDASSA-N 1 1 392.463 2.393 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737880124 598396661 /nfs/dbraw/zinc/39/66/61/598396661.db2.gz YXTIPRFREFWOPF-UYAOXDASSA-N 1 1 392.463 2.393 20 0 GEADMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737471706 598407323 /nfs/dbraw/zinc/40/73/23/598407323.db2.gz SGSDJPGZCNVLJT-IUODEOHRSA-N 1 1 388.497 2.373 20 0 GEADMO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000735873471 598427614 /nfs/dbraw/zinc/42/76/14/598427614.db2.gz AVTOTDMHXWRRMH-MSOLQXFVSA-N 1 1 383.500 2.414 20 0 GEADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737372043 598441247 /nfs/dbraw/zinc/44/12/47/598441247.db2.gz VFBGTNARHQVULZ-QAPCUYQASA-N 1 1 375.436 2.018 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736252145 598465857 /nfs/dbraw/zinc/46/58/57/598465857.db2.gz PNXCGZPFYDKGFW-GASCZTMLSA-N 1 1 388.541 2.479 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCN(C)c1ccccc1 ZINC000735558964 598469523 /nfs/dbraw/zinc/46/95/23/598469523.db2.gz IIYHVEFONQVGNC-HNNXBMFYSA-N 1 1 379.468 2.262 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000735558964 598469525 /nfs/dbraw/zinc/46/95/25/598469525.db2.gz IIYHVEFONQVGNC-HNNXBMFYSA-N 1 1 379.468 2.262 20 0 GEADMO C[C@@H](CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C1CC1 ZINC000736025702 598502340 /nfs/dbraw/zinc/50/23/40/598502340.db2.gz MLFHHQPOGIPSOV-ZDUSSCGKSA-N 1 1 396.451 2.251 20 0 GEADMO CC1(C)C[N@H+](C2(CNC(=O)c3cccc(-c4nn[nH]n4)c3)CCCCC2)CCO1 ZINC000736213552 598534242 /nfs/dbraw/zinc/53/42/42/598534242.db2.gz KCZVYLKLOSMHKX-UHFFFAOYSA-N 1 1 398.511 2.410 20 0 GEADMO Cc1cc(N2CCC[C@H](OC(=O)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000737271444 598543763 /nfs/dbraw/zinc/54/37/63/598543763.db2.gz LDDJGAVGCGIZJD-INIZCTEOSA-N 1 1 379.424 2.099 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736859345 598556063 /nfs/dbraw/zinc/55/60/63/598556063.db2.gz FYBIFOVEOYKVEI-GOSISDBHSA-N 1 1 378.436 2.478 20 0 GEADMO CCN(C(=O)CCCC[NH+]1CCOCC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736502601 598565142 /nfs/dbraw/zinc/56/51/42/598565142.db2.gz OQHFHAJYPCTCFY-MRXNPFEDSA-N 1 1 386.500 2.279 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736572040 598590560 /nfs/dbraw/zinc/59/05/60/598590560.db2.gz UPFOZQXTUCJUGH-HNNXBMFYSA-N 1 1 397.508 2.450 20 0 GEADMO C[N@@H+](CCc1ccccc1F)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736805168 598595055 /nfs/dbraw/zinc/59/50/55/598595055.db2.gz BZIPDSIVGRJZNP-GOSISDBHSA-N 1 1 380.427 2.286 20 0 GEADMO C[N@@H+](CCC1CCCCC1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736793285 598617228 /nfs/dbraw/zinc/61/72/28/598617228.db2.gz WBWMPZBJVMSWAW-KRWDZBQOSA-N 1 1 382.468 2.401 20 0 GEADMO C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736797394 598621751 /nfs/dbraw/zinc/62/17/51/598621751.db2.gz HOLMKEIYSQTNBH-IBGZPJMESA-N 1 1 392.463 2.373 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736401289 598625635 /nfs/dbraw/zinc/62/56/35/598625635.db2.gz HTSNGUWWXVTNDH-HNNXBMFYSA-N 1 1 386.500 2.262 20 0 GEADMO O[C@@H](CNc1cc(Cl)ccc1-c1nn[nH]n1)C[N@H+]1CCc2ccccc2C1 ZINC000738385137 598634333 /nfs/dbraw/zinc/63/43/33/598634333.db2.gz VZRGIWJFMGGSJJ-INIZCTEOSA-N 1 1 384.871 2.351 20 0 GEADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737502389 598666825 /nfs/dbraw/zinc/66/68/25/598666825.db2.gz MSOXHLKYOAJGMA-UHFFFAOYSA-N 1 1 392.448 2.487 20 0 GEADMO CN(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000736732172 598670853 /nfs/dbraw/zinc/67/08/53/598670853.db2.gz KXVZDRIOVGEWFH-QGZVFWFLSA-N 1 1 384.484 2.111 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCCCN2C(=O)c3ccccc3C2=O)[nH+]1 ZINC000737239608 598678454 /nfs/dbraw/zinc/67/84/54/598678454.db2.gz DQAKSWNGDZXVQP-UHFFFAOYSA-N 1 1 391.435 2.367 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736570304 598681322 /nfs/dbraw/zinc/68/13/22/598681322.db2.gz LNQWJDXZEWJNSA-INIZCTEOSA-N 1 1 393.451 2.268 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000735881280 598682627 /nfs/dbraw/zinc/68/26/27/598682627.db2.gz ISJISJXTVXAEGC-UHFFFAOYSA-N 1 1 393.451 2.220 20 0 GEADMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736566166 598684595 /nfs/dbraw/zinc/68/45/95/598684595.db2.gz XQSGGFFECRBSTM-AWEZNQCLSA-N 1 1 393.451 2.126 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736570984 598686811 /nfs/dbraw/zinc/68/68/11/598686811.db2.gz OAFOBOZPSRATGC-MRXNPFEDSA-N 1 1 386.500 2.264 20 0 GEADMO CC[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736570920 598689895 /nfs/dbraw/zinc/68/98/95/598689895.db2.gz POHMIFSMDZZMGS-UHFFFAOYSA-N 1 1 393.451 2.222 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858858 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MGKIWBJPUCQQDY-MRXNPFEDSA-N 1 1 383.500 2.146 20 0 GEADMO O=C(CC[N@H+]1CCC[C@@H]1CN1CCCCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843678 598764129 /nfs/dbraw/zinc/76/41/29/598764129.db2.gz MGKIWBJPUCQQDY-MRXNPFEDSA-N 1 1 383.500 2.146 20 0 GEADMO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736425660 598764864 /nfs/dbraw/zinc/76/48/64/598764864.db2.gz WOSKCFLQPDRFDG-CABCVRRESA-N 1 1 386.500 2.403 20 0 GEADMO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)NCC1CCCCC1 ZINC000737877128 598766848 /nfs/dbraw/zinc/76/68/48/598766848.db2.gz UNTIPFORDVCZJQ-UHFFFAOYSA-N 1 1 398.511 2.406 20 0 GEADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000736284535 598767511 /nfs/dbraw/zinc/76/75/11/598767511.db2.gz AOLZNXIDXJGCOD-SNVBAGLBSA-N 1 1 378.527 2.183 20 0 GEADMO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736802650 598776140 /nfs/dbraw/zinc/77/61/40/598776140.db2.gz VMHKIMGVBQTUPG-GOSISDBHSA-N 1 1 396.426 2.122 20 0 GEADMO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736802650 598776141 /nfs/dbraw/zinc/77/61/41/598776141.db2.gz VMHKIMGVBQTUPG-GOSISDBHSA-N 1 1 396.426 2.122 20 0 GEADMO CCCn1cc(C[N@H+]2CCCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cn1 ZINC000736501551 598787478 /nfs/dbraw/zinc/78/74/78/598787478.db2.gz FAZSMFYRJHYDIX-UHFFFAOYSA-N 1 1 384.463 2.325 20 0 GEADMO O=C(C1CCSCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737788980 598793315 /nfs/dbraw/zinc/79/33/15/598793315.db2.gz AUEROPNYQRCCOK-UHFFFAOYSA-N 1 1 386.525 2.044 20 0 GEADMO C[N@@H+](CCN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)Cc1ccccc1 ZINC000736799355 598797297 /nfs/dbraw/zinc/79/72/97/598797297.db2.gz RRNBOSCYYQJKCS-UHFFFAOYSA-N 1 1 395.486 2.260 20 0 GEADMO C[N@H+](CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccccc1 ZINC000736798947 598811659 /nfs/dbraw/zinc/81/16/59/598811659.db2.gz KXWRINZVIXLUDA-UHFFFAOYSA-N 1 1 391.523 2.116 20 0 GEADMO C[N@@H+](CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccccc1 ZINC000736798947 598811661 /nfs/dbraw/zinc/81/16/61/598811661.db2.gz KXWRINZVIXLUDA-UHFFFAOYSA-N 1 1 391.523 2.116 20 0 GEADMO CCCC[N@@H+](C)CC1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453483 598812070 /nfs/dbraw/zinc/81/20/70/598812070.db2.gz MZJJQEXZSPYKDD-UHFFFAOYSA-N 1 1 385.516 2.249 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1)C(C)C ZINC000736536356 598812925 /nfs/dbraw/zinc/81/29/25/598812925.db2.gz JKHFICHAEZHZPC-UHFFFAOYSA-N 1 1 389.529 2.321 20 0 GEADMO Oc1cccc(C[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC2CC2)c1 ZINC000738401948 598819476 /nfs/dbraw/zinc/81/94/76/598819476.db2.gz XXGVUUMTAARFBG-IBGZPJMESA-N 1 1 395.463 2.224 20 0 GEADMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000737077766 598820965 /nfs/dbraw/zinc/82/09/65/598820965.db2.gz XXBVBNPJUKZQRR-SFHVURJKSA-N 1 1 378.436 2.293 20 0 GEADMO CCC[C@]1(C)CCC[N@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026777 599307783 /nfs/dbraw/zinc/30/77/83/599307783.db2.gz BTSJMKWDWVJZIL-OXJNMPFZSA-N 1 1 382.468 2.401 20 0 GEADMO CCC[C@@]1(C)CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821026779 599307792 /nfs/dbraw/zinc/30/77/92/599307792.db2.gz BTSJMKWDWVJZIL-UZLBHIALSA-N 1 1 382.468 2.401 20 0 GEADMO CC[C@@]1(C)CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820949447 599329112 /nfs/dbraw/zinc/32/91/12/599329112.db2.gz ACGMPCQYULKMGV-VQTJNVASSA-N 1 1 397.483 2.103 20 0 GEADMO CC[C@@]1(C)CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820949447 599329113 /nfs/dbraw/zinc/32/91/13/599329113.db2.gz ACGMPCQYULKMGV-VQTJNVASSA-N 1 1 397.483 2.103 20 0 GEADMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000736199927 599337879 /nfs/dbraw/zinc/33/78/79/599337879.db2.gz ZLGBXFCSBGCBPT-OKZBNKHCSA-N 1 1 383.544 2.418 20 0 GEADMO CC(C)[C@H](CO)[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735710759 599353726 /nfs/dbraw/zinc/35/37/26/599353726.db2.gz OHCOYTMUIHFQNU-IBGZPJMESA-N 1 1 394.479 2.324 20 0 GEADMO 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ZINC000736855400 599526777 /nfs/dbraw/zinc/52/67/77/599526777.db2.gz GLBZNRJTWRIQEH-CQSZACIVSA-N 1 1 395.433 2.102 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)C1 ZINC000736855396 599526989 /nfs/dbraw/zinc/52/69/89/599526989.db2.gz GLBZNRJTWRIQEH-AWEZNQCLSA-N 1 1 395.433 2.102 20 0 GEADMO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC[N@H+]1C[C@H](C)O ZINC000820994087 599533143 /nfs/dbraw/zinc/53/31/43/599533143.db2.gz DDNFWSNUUXWDKL-ZFWWWQNUSA-N 1 1 399.474 2.144 20 0 GEADMO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@H+]1C[C@@H](C)O ZINC000820995795 599534240 /nfs/dbraw/zinc/53/42/40/599534240.db2.gz YIAPNIADUGFWLX-CABCVRRESA-N 1 1 381.484 2.005 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736849786 599565383 /nfs/dbraw/zinc/56/53/83/599565383.db2.gz XBGZBTANWXPKMA-AWEZNQCLSA-N 1 1 377.452 2.292 20 0 GEADMO CCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736614978 599587112 /nfs/dbraw/zinc/58/71/12/599587112.db2.gz WOILPOSSZAMRGV-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335177 599590496 /nfs/dbraw/zinc/59/04/96/599590496.db2.gz QTLFTTPWCPUEHF-INIZCTEOSA-N 1 1 378.480 2.354 20 0 GEADMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737145086 599592750 /nfs/dbraw/zinc/59/27/50/599592750.db2.gz BDFGWCRVSIGOFJ-GFCCVEGCSA-N 1 1 384.465 2.365 20 0 GEADMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737145086 599592751 /nfs/dbraw/zinc/59/27/51/599592751.db2.gz BDFGWCRVSIGOFJ-GFCCVEGCSA-N 1 1 384.465 2.365 20 0 GEADMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)n1 ZINC000821558594 599596495 /nfs/dbraw/zinc/59/64/95/599596495.db2.gz BNPHXEHYHLOCPK-UHFFFAOYSA-N 1 1 388.476 2.132 20 0 GEADMO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)n1 ZINC000821558966 599596508 /nfs/dbraw/zinc/59/65/08/599596508.db2.gz MQGRCHRYAQAFMP-UHFFFAOYSA-N 1 1 388.476 2.132 20 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YPTJVXIASSUASZ-UHFFFAOYSA-N 1 1 383.399 2.489 20 0 GEADMO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000822733312 606487712 /nfs/dbraw/zinc/48/77/12/606487712.db2.gz XHGPFXPKCLKSTJ-ZDUSSCGKSA-N 1 1 381.383 2.053 20 0 GEADMO CC[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000820909437 606493012 /nfs/dbraw/zinc/49/30/12/606493012.db2.gz WFMQIJOQGKNLFZ-MRXNPFEDSA-N 1 1 382.493 2.495 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821266783 606538998 /nfs/dbraw/zinc/53/89/98/606538998.db2.gz HGIFRRGIMWRZMA-MRXNPFEDSA-N 1 1 397.508 2.450 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821266282 606556903 /nfs/dbraw/zinc/55/69/03/606556903.db2.gz AHDRTNGIMLTXQP-OAHLLOKOSA-N 1 1 397.508 2.450 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820758903 606583625 /nfs/dbraw/zinc/58/36/25/606583625.db2.gz FSKIUFSGOIEELT-OXJNMPFZSA-N 1 1 390.491 2.436 20 0 GEADMO C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccc([S@@](C)=O)cc1 ZINC000821611171 606616394 /nfs/dbraw/zinc/61/63/94/606616394.db2.gz ULQSKEDFTDLIGV-HHHXNRCGSA-N 1 1 380.477 2.489 20 0 GEADMO CC(C)[N@@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC000820727149 606646254 /nfs/dbraw/zinc/64/62/54/606646254.db2.gz HKTRJOLLZACCBH-GFCCVEGCSA-N 1 1 392.529 2.084 20 0 GEADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000822478953 606657595 /nfs/dbraw/zinc/65/75/95/606657595.db2.gz WGZCCQSAPCHIGF-GFCCVEGCSA-N 1 1 376.424 2.190 20 0 GEADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820648477 606672592 /nfs/dbraw/zinc/67/25/92/606672592.db2.gz AJRNEMCEFSPZBY-GRYCIOLGSA-N 1 1 378.427 2.241 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820709464 606672728 /nfs/dbraw/zinc/67/27/28/606672728.db2.gz IZZJHBUIQORXJO-NSHDSACASA-N 1 1 378.427 2.385 20 0 GEADMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821600219 606700366 /nfs/dbraw/zinc/70/03/66/606700366.db2.gz CGXOTRIONZTMGV-UHFFFAOYSA-N 1 1 390.879 2.159 20 0 GEADMO CCC1(CC)CC[N@@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820957433 606705363 /nfs/dbraw/zinc/70/53/63/606705363.db2.gz PLLREMRCSKKEHI-UHFFFAOYSA-N 1 1 397.483 2.101 20 0 GEADMO CCC1(CC)CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820955740 606705601 /nfs/dbraw/zinc/70/56/01/606705601.db2.gz FPCVXNOTTLNUNO-LJQANCHMSA-N 1 1 397.483 2.103 20 0 GEADMO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1c1c(F)cccc1F ZINC000823510806 606713141 /nfs/dbraw/zinc/71/31/41/606713141.db2.gz AGFGBOSVAWAHRV-OAHLLOKOSA-N 1 1 388.353 2.179 20 0 GEADMO Cc1cccc2c(N[C@@H]3CCN(C(=O)C4CC4)C[C@@H]3C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336872 606806852 /nfs/dbraw/zinc/80/68/52/606806852.db2.gz SGGBBSZUCBDZDS-SUMWQHHRSA-N 1 1 391.479 2.204 20 0 GEADMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752403 606815724 /nfs/dbraw/zinc/81/57/24/606815724.db2.gz MSPXOGZAGNXKFK-QAPCUYQASA-N 1 1 386.500 2.261 20 0 GEADMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000822693981 606847717 /nfs/dbraw/zinc/84/77/17/606847717.db2.gz QFAQKUNARBZPIO-MSOLQXFVSA-N 1 1 375.436 2.013 20 0 GEADMO O[C@H](C[N@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681766 606854596 /nfs/dbraw/zinc/85/45/96/606854596.db2.gz KJBQAURAPCVLQT-HXUWFJFHSA-N 1 1 387.447 2.144 20 0 GEADMO O[C@H](C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681599 606860363 /nfs/dbraw/zinc/86/03/63/606860363.db2.gz HHCKHWIIUVGHMB-DLBZAZTESA-N 1 1 394.483 2.055 20 0 GEADMO O[C@H](C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681599 606860364 /nfs/dbraw/zinc/86/03/64/606860364.db2.gz HHCKHWIIUVGHMB-DLBZAZTESA-N 1 1 394.483 2.055 20 0 GEADMO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496377 606861167 /nfs/dbraw/zinc/86/11/67/606861167.db2.gz KYMZRXQNGPYEMF-HUUCEWRRSA-N 1 1 387.875 2.433 20 0 GEADMO CCC[C@@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821040866 606861505 /nfs/dbraw/zinc/86/15/05/606861505.db2.gz TZKVMMSMECJZBW-OAHLLOKOSA-N 1 1 397.483 2.101 20 0 GEADMO CO[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1Cl ZINC000821677334 606868741 /nfs/dbraw/zinc/86/87/41/606868741.db2.gz URIQUAUGXPVVPR-JKSUJKDBSA-N 1 1 386.843 2.024 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2cccs2)CC1 ZINC000821702304 606881722 /nfs/dbraw/zinc/88/17/22/606881722.db2.gz OZNIGERQVJZBSM-UHFFFAOYSA-N 1 1 386.481 2.138 20 0 GEADMO CC[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000821207542 606883459 /nfs/dbraw/zinc/88/34/59/606883459.db2.gz PSGVIFZODGYPMS-SJORKVTESA-N 1 1 381.436 2.062 20 0 GEADMO C[N@@H+](CCCOC(=O)COc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821600575 606897298 /nfs/dbraw/zinc/89/72/98/606897298.db2.gz SZMMAXJKLBXPOH-UHFFFAOYSA-N 1 1 381.436 2.311 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)COc2ccccc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820656526 606903805 /nfs/dbraw/zinc/90/38/05/606903805.db2.gz FXVPLQTYVBPLPE-WBVHZDCISA-N 1 1 392.463 2.025 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000820753146 606904569 /nfs/dbraw/zinc/90/45/69/606904569.db2.gz WZIMSIVOSGJJAM-KSSFIOAISA-N 1 1 384.484 2.015 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1)CC(F)(F)F ZINC000821197890 606907168 /nfs/dbraw/zinc/90/71/68/606907168.db2.gz NNYVPACMWPOBQW-CJNGLKHVSA-N 1 1 398.433 2.106 20 0 GEADMO O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681955 606923971 /nfs/dbraw/zinc/92/39/71/606923971.db2.gz LLUAWPOTOHGQKX-XUVXKRRUSA-N 1 1 379.464 2.488 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000820268420 606926573 /nfs/dbraw/zinc/92/65/73/606926573.db2.gz CFIOYKCHFBUTRE-AWEZNQCLSA-N 1 1 390.488 2.481 20 0 GEADMO OCC[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000823722636 606927497 /nfs/dbraw/zinc/92/74/97/606927497.db2.gz VEDCOJOVYUYBHH-WOJBJXKFSA-N 1 1 379.464 2.272 20 0 GEADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164671 606928135 /nfs/dbraw/zinc/92/81/35/606928135.db2.gz JAONYZYPWOCXCJ-GOSISDBHSA-N 1 1 394.479 2.478 20 0 GEADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164671 606928137 /nfs/dbraw/zinc/92/81/37/606928137.db2.gz JAONYZYPWOCXCJ-GOSISDBHSA-N 1 1 394.479 2.478 20 0 GEADMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000819922275 606930815 /nfs/dbraw/zinc/93/08/15/606930815.db2.gz JEFZAEDNUPAJHY-HNNXBMFYSA-N 1 1 386.456 2.001 20 0 GEADMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000819922275 606930816 /nfs/dbraw/zinc/93/08/16/606930816.db2.gz JEFZAEDNUPAJHY-HNNXBMFYSA-N 1 1 386.456 2.001 20 0 GEADMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821362152 606934591 /nfs/dbraw/zinc/93/45/91/606934591.db2.gz YQWQJLVAUYPCGE-SJORKVTESA-N 1 1 384.484 2.475 20 0 GEADMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821360124 606935074 /nfs/dbraw/zinc/93/50/74/606935074.db2.gz QCVZONYETXVOQG-DLBZAZTESA-N 1 1 384.484 2.475 20 0 GEADMO C[N@@H+](CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000821602839 607001201 /nfs/dbraw/zinc/00/12/01/607001201.db2.gz XNDDCYDWBIGOQT-UHFFFAOYSA-N 1 1 394.479 2.272 20 0 GEADMO O[C@]12CCCC[C@H]1C[N@@H+](Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000823697145 607003128 /nfs/dbraw/zinc/00/31/28/607003128.db2.gz JTRYAGDVMIYUCB-PXNSSMCTSA-N 1 1 379.468 2.315 20 0 GEADMO C[N@@H+](CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000821602744 607007958 /nfs/dbraw/zinc/00/79/58/607007958.db2.gz RTNJBZWYPWWQTC-UHFFFAOYSA-N 1 1 386.500 2.405 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088336 607050185 /nfs/dbraw/zinc/05/01/85/607050185.db2.gz LJMJUSLABXIPPD-HNNXBMFYSA-N 1 1 386.500 2.214 20 0 GEADMO C[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820760743 607063874 /nfs/dbraw/zinc/06/38/74/607063874.db2.gz SRUXPYHPIORNNS-MGPUTAFESA-N 1 1 396.470 2.246 20 0 GEADMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822496493 607092176 /nfs/dbraw/zinc/09/21/76/607092176.db2.gz OESKKGSQHFLCKH-QGZVFWFLSA-N 1 1 380.456 2.074 20 0 GEADMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820958708 607106735 /nfs/dbraw/zinc/10/67/35/607106735.db2.gz XQPIBMFBKMEIKD-DLBZAZTESA-N 1 1 386.500 2.008 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822996327 607178048 /nfs/dbraw/zinc/17/80/48/607178048.db2.gz CJFYTQKNJRRALC-IBGZPJMESA-N 1 1 391.479 2.059 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 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609381828 /nfs/dbraw/zinc/38/18/28/609381828.db2.gz AOUPHRKNCCTRCX-QGZVFWFLSA-N 1 1 384.509 2.175 20 0 GEADMO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(F)c1 ZINC000826203020 609416704 /nfs/dbraw/zinc/41/67/04/609416704.db2.gz WOGFHIBRBSWXDO-GOSISDBHSA-N 1 1 396.426 2.300 20 0 GEADMO OC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccc(F)cc1 ZINC000826508448 609425867 /nfs/dbraw/zinc/42/58/67/609425867.db2.gz PMTWPLFGTKHCIZ-CQSZACIVSA-N 1 1 379.342 2.430 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCc1ccncc1 ZINC000824051938 609485149 /nfs/dbraw/zinc/48/51/49/609485149.db2.gz IQHKFSPPCMVDJO-LBPRGKRZSA-N 1 1 397.508 2.313 20 0 GEADMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCc1ccncc1 ZINC000824051938 609485151 /nfs/dbraw/zinc/48/51/51/609485151.db2.gz IQHKFSPPCMVDJO-LBPRGKRZSA-N 1 1 397.508 2.313 20 0 GEADMO CC(C)[N@@H+]1CCc2nc(NC(=O)COc3ccccc3-c3nn[nH]n3)sc2C1 ZINC000824301136 609517488 /nfs/dbraw/zinc/51/74/88/609517488.db2.gz 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O=S1(=O)CCCN1CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000447042492 649995817 /nfs/dbraw/zinc/99/58/17/649995817.db2.gz RZKNHXSLXCZONB-UHFFFAOYSA-N 1 1 381.325 2.213 20 0 GEADMO O=S1(=O)CCCN1CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000447042492 649995831 /nfs/dbraw/zinc/99/58/31/649995831.db2.gz RZKNHXSLXCZONB-UHFFFAOYSA-N 1 1 381.325 2.213 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447066769 649996560 /nfs/dbraw/zinc/99/65/60/649996560.db2.gz HGIHRWFTGCSDMY-SNVBAGLBSA-N 1 1 387.445 2.022 20 0 GEADMO Cc1nn(C)c(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1Br ZINC000447937043 650011472 /nfs/dbraw/zinc/01/14/72/650011472.db2.gz UTOVTBCUYPZFEI-UHFFFAOYSA-N 1 1 383.265 2.458 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447926890 650010714 /nfs/dbraw/zinc/01/07/14/650010714.db2.gz NNLYIQFBEYKGDZ-GWCFXTLKSA-N 1 1 388.249 2.321 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000447926890 650010715 /nfs/dbraw/zinc/01/07/15/650010715.db2.gz NNLYIQFBEYKGDZ-GWCFXTLKSA-N 1 1 388.249 2.321 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448118002 650013573 /nfs/dbraw/zinc/01/35/73/650013573.db2.gz DAEIBDPENIFTIF-UHFFFAOYSA-N 1 1 390.245 2.356 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1Br ZINC000448322983 650015191 /nfs/dbraw/zinc/01/51/91/650015191.db2.gz VANALZVTSZZGGH-CYBMUJFWSA-N 1 1 397.317 2.328 20 0 GEADMO CSCC[C@H](O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000448800899 650021768 /nfs/dbraw/zinc/02/17/68/650021768.db2.gz MSZVVZNPMINASE-KRWDZBQOSA-N 1 1 385.961 2.082 20 0 GEADMO Cc1ccc(Br)cc1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000448873383 650024433 /nfs/dbraw/zinc/02/44/33/650024433.db2.gz KEKUDOOEKTYAMT-CQSZACIVSA-N 1 1 396.329 2.004 20 0 GEADMO Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000448875594 650024518 /nfs/dbraw/zinc/02/45/18/650024518.db2.gz SPEUXIHIRNDEAZ-AWEZNQCLSA-N 1 1 396.329 2.383 20 0 GEADMO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449031584 650030723 /nfs/dbraw/zinc/03/07/23/650030723.db2.gz WUBRZKXHQMMCIR-GFCCVEGCSA-N 1 1 398.326 2.498 20 0 GEADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449031584 650030725 /nfs/dbraw/zinc/03/07/25/650030725.db2.gz WUBRZKXHQMMCIR-GFCCVEGCSA-N 1 1 398.326 2.498 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000449326301 650038453 /nfs/dbraw/zinc/03/84/53/650038453.db2.gz UOAZFOZIICSIIZ-TYNCELHUSA-N 1 1 385.302 2.165 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000449326301 650038458 /nfs/dbraw/zinc/03/84/58/650038458.db2.gz UOAZFOZIICSIIZ-TYNCELHUSA-N 1 1 385.302 2.165 20 0 GEADMO O=C1C[C@H]([NH2+]Cc2cc(Cl)sc2Cl)CN1CCN1CCOCC1 ZINC000449226563 650034736 /nfs/dbraw/zinc/03/47/36/650034736.db2.gz RIQKCLQSAOCRQB-LBPRGKRZSA-N 1 1 378.325 2.078 20 0 GEADMO Cc1cc(Br)cn2c(C[N@H+](C)[C@@H]3CCN4CCO[C@H]3C4)cnc12 ZINC000449367053 650039215 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COC(=O)CC[N@@H+]1CCN(C(=O)Cc2sccc2Br)C[C@H]1C ZINC000450584328 650067516 /nfs/dbraw/zinc/06/75/16/650067516.db2.gz DLPZNNKVZZOHGP-LLVKDONJSA-N 1 1 389.315 2.149 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2sccc2Br)C[C@H]1C ZINC000450584328 650067518 /nfs/dbraw/zinc/06/75/18/650067518.db2.gz DLPZNNKVZZOHGP-LLVKDONJSA-N 1 1 389.315 2.149 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cc(Br)ccc2C)C[C@H]1C ZINC000450588350 650067581 /nfs/dbraw/zinc/06/75/81/650067581.db2.gz JOHDCHGCKRNEBJ-CQSZACIVSA-N 1 1 397.313 2.396 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cc(Br)ccc2C)C[C@H]1C ZINC000450588350 650067582 /nfs/dbraw/zinc/06/75/82/650067582.db2.gz JOHDCHGCKRNEBJ-CQSZACIVSA-N 1 1 397.313 2.396 20 0 GEADMO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000450786928 650070262 /nfs/dbraw/zinc/07/02/62/650070262.db2.gz RBSYMEGJZIAEAR-AWEZNQCLSA-N 1 1 378.274 2.285 20 0 GEADMO Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000450786928 650070263 /nfs/dbraw/zinc/07/02/63/650070263.db2.gz 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650316770 /nfs/dbraw/zinc/31/67/70/650316770.db2.gz OIQGNZWXENVTGZ-NSHDSACASA-N 1 1 383.294 2.734 20 0 GEADMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(I)cn2)C[C@@H](C)C1 ZINC000456054378 650328902 /nfs/dbraw/zinc/32/89/02/650328902.db2.gz CTNGCAMJCYBGJV-YWPYICTPSA-N 1 1 399.276 2.489 20 0 GEADMO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000456131302 650331702 /nfs/dbraw/zinc/33/17/02/650331702.db2.gz QTIQNXHBUSNZAK-HUUCEWRRSA-N 1 1 399.285 2.224 20 0 GEADMO COc1ccc(CCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1Br ZINC000456226593 650334681 /nfs/dbraw/zinc/33/46/81/650334681.db2.gz OTJLLBXNOGRYHY-OKILXGFUSA-N 1 1 399.329 2.304 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H](C)[N@H+]1CCO ZINC000456234453 650334747 /nfs/dbraw/zinc/33/47/47/650334747.db2.gz GVFLLNASKFJVKE-AOOOYVTPSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H](C)[N@@H+]1CCO ZINC000456234453 650334751 /nfs/dbraw/zinc/33/47/51/650334751.db2.gz GVFLLNASKFJVKE-AOOOYVTPSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456314736 650336874 /nfs/dbraw/zinc/33/68/74/650336874.db2.gz WCTBCDKRDORHAI-GXTWGEPZSA-N 1 1 382.302 2.422 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000456358052 650337936 /nfs/dbraw/zinc/33/79/36/650337936.db2.gz SZMNYBFPSOAYJS-HNNXBMFYSA-N 1 1 382.302 2.122 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000456596751 650350891 /nfs/dbraw/zinc/35/08/91/650350891.db2.gz UBVGSRUCSKIUJW-GXTWGEPZSA-N 1 1 397.317 2.086 20 0 GEADMO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000456709967 650356536 /nfs/dbraw/zinc/35/65/36/650356536.db2.gz GBOFIVQPMMKRCJ-CXAGYDPISA-N 1 1 399.304 2.482 20 0 GEADMO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1C[NH+](C(C)C)C1 ZINC000457711540 650383122 /nfs/dbraw/zinc/38/31/22/650383122.db2.gz BJFVFPMSMFRNDQ-MRXNPFEDSA-N 1 1 396.329 2.412 20 0 GEADMO CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000500863902 650383670 /nfs/dbraw/zinc/38/36/70/650383670.db2.gz HJAOMEIFEAAEAS-UHFFFAOYSA-N 1 1 382.555 2.109 20 0 GEADMO O=C(NCc1cc(Br)ccc1F)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457774152 650384422 /nfs/dbraw/zinc/38/44/22/650384422.db2.gz LNITXZSTMCLDFH-CQSZACIVSA-N 1 1 388.281 2.234 20 0 GEADMO O=C(NCc1ccc(Br)s1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457802962 650385182 /nfs/dbraw/zinc/38/51/82/650385182.db2.gz MFWFZBNEBDNGNQ-NSHDSACASA-N 1 1 376.320 2.157 20 0 GEADMO O=S(=O)([C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1)N1CCOCC1 ZINC000501053610 650386800 /nfs/dbraw/zinc/38/68/00/650386800.db2.gz LZVZMYTVQGCHFI-QGZVFWFLSA-N 1 1 376.588 2.179 20 0 GEADMO CC[N@@H+]1CCO[C@@H](CNC(=O)CSc2nncs2)[C@@H]1c1ccccc1 ZINC000501601163 650395409 /nfs/dbraw/zinc/39/54/09/650395409.db2.gz AUFVXTSNEKTTEB-HOCLYGCPSA-N 1 1 378.523 2.208 20 0 GEADMO CC[N@H+]1CCO[C@@H](CNC(=O)CSc2nncs2)[C@@H]1c1ccccc1 ZINC000501601163 650395410 /nfs/dbraw/zinc/39/54/10/650395410.db2.gz AUFVXTSNEKTTEB-HOCLYGCPSA-N 1 1 378.523 2.208 20 0 GEADMO Cc1cc(S(=O)(=O)NCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000501810183 650397510 /nfs/dbraw/zinc/39/75/10/650397510.db2.gz YDPTXZAGMZPRQT-HNNXBMFYSA-N 1 1 387.571 2.024 20 0 GEADMO COc1cc(Br)c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1OC ZINC000501949804 650399431 /nfs/dbraw/zinc/39/94/31/650399431.db2.gz RVJAIIUXDCFCBU-OLZOCXBDSA-N 1 1 387.318 2.353 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000501972303 650399677 /nfs/dbraw/zinc/39/96/77/650399677.db2.gz FJFOHGYWEUBJJL-VQNPYFGKSA-N 1 1 379.353 2.488 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000501972303 650399679 /nfs/dbraw/zinc/39/96/79/650399679.db2.gz FJFOHGYWEUBJJL-VQNPYFGKSA-N 1 1 379.353 2.488 20 0 GEADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000502044694 650400454 /nfs/dbraw/zinc/40/04/54/650400454.db2.gz OGMQVHDXAZWGKU-GFCCVEGCSA-N 1 1 393.962 2.061 20 0 GEADMO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458384164 650401630 /nfs/dbraw/zinc/40/16/30/650401630.db2.gz UMCJDRDGWGPFTD-MRXNPFEDSA-N 1 1 384.318 2.404 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000458418454 650402893 /nfs/dbraw/zinc/40/28/93/650402893.db2.gz GOQNMFCRAPWQPU-AWEZNQCLSA-N 1 1 396.329 2.189 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000458418454 650402895 /nfs/dbraw/zinc/40/28/95/650402895.db2.gz GOQNMFCRAPWQPU-AWEZNQCLSA-N 1 1 396.329 2.189 20 0 GEADMO COC(=O)c1csc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000502209844 650403248 /nfs/dbraw/zinc/40/32/48/650403248.db2.gz SVTZORPFVHFNKW-AWEZNQCLSA-N 1 1 386.470 2.255 20 0 GEADMO C[C@H](Cc1ccccc1Br)NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458550579 650405312 /nfs/dbraw/zinc/40/53/12/650405312.db2.gz UZWCAWAVBLOGAP-KFWWJZLASA-N 1 1 398.345 2.477 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000502683187 650409858 /nfs/dbraw/zinc/40/98/58/650409858.db2.gz XEJLKOXEPUCIDV-MNOVXSKESA-N 1 1 376.320 2.280 20 0 GEADMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1nc(C(F)(F)F)cs1 ZINC000458731231 650409891 /nfs/dbraw/zinc/40/98/91/650409891.db2.gz VVMRRGDKBVHFPM-MNOVXSKESA-N 1 1 380.436 2.369 20 0 GEADMO C[C@H]1CN(C(=O)NCCc2cccc(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000459149744 650419538 /nfs/dbraw/zinc/41/95/38/650419538.db2.gz MSNBFWPRZVAVOC-AWEZNQCLSA-N 1 1 398.345 2.478 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCc3c(Br)cccc3C2)CC1 ZINC000503572184 650420239 /nfs/dbraw/zinc/42/02/39/650420239.db2.gz FHVLJUIOUJPAER-AWEZNQCLSA-N 1 1 380.330 2.360 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000459275203 650421932 /nfs/dbraw/zinc/42/19/32/650421932.db2.gz ABNKKCBOXIEUAD-CYBMUJFWSA-N 1 1 397.317 2.419 20 0 GEADMO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000504062698 650426625 /nfs/dbraw/zinc/42/66/25/650426625.db2.gz LQYDRJGAOLKLHM-XHSDSOJGSA-N 1 1 382.302 2.409 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1O ZINC000504138622 650427754 /nfs/dbraw/zinc/42/77/54/650427754.db2.gz OHLSZDOXDULUCU-LBPRGKRZSA-N 1 1 385.302 2.001 20 0 GEADMO Cn1nccc1[C@@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000459702845 650429994 /nfs/dbraw/zinc/42/99/94/650429994.db2.gz FXXHBTCEWBJWIR-OAHLLOKOSA-N 1 1 376.258 2.192 20 0 GEADMO CCOc1c(Br)cc(C[NH2+][C@@H](CO)c2ccnn2C)cc1OC ZINC000459702909 650430049 /nfs/dbraw/zinc/43/00/49/650430049.db2.gz GATUXPWLMJEJTP-ZDUSSCGKSA-N 1 1 384.274 2.413 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000504393343 650430364 /nfs/dbraw/zinc/43/03/64/650430364.db2.gz DZNNREYGRJFZGY-BDAKNGLRSA-N 1 1 380.297 2.271 20 0 GEADMO CCc1cc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)nc(C)[nH+]1 ZINC000543876797 650431505 /nfs/dbraw/zinc/43/15/05/650431505.db2.gz FAQXKBYPAWHMLE-UHFFFAOYSA-N 1 1 382.511 2.042 20 0 GEADMO C[C@](O)(CNC(=O)NCCCCc1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000504458611 650431529 /nfs/dbraw/zinc/43/15/29/650431529.db2.gz QKRQSPUTAIKHBE-KRWDZBQOSA-N 1 1 389.949 2.107 20 0 GEADMO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459861347 650434171 /nfs/dbraw/zinc/43/41/71/650434171.db2.gz YUHAGXFMYXAJIW-OAHLLOKOSA-N 1 1 396.329 2.208 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)[N@H+]1C ZINC000460000412 650437965 /nfs/dbraw/zinc/43/79/65/650437965.db2.gz RBFGDDRQYBTGQX-PHIMTYICSA-N 1 1 388.331 2.020 20 0 GEADMO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)[N@@H+]1C ZINC000460000412 650437967 /nfs/dbraw/zinc/43/79/67/650437967.db2.gz RBFGDDRQYBTGQX-PHIMTYICSA-N 1 1 388.331 2.020 20 0 GEADMO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(=O)c1ccc(Br)o1 ZINC000505662751 650439857 /nfs/dbraw/zinc/43/98/57/650439857.db2.gz PNSANKKGHRIFLN-KRWDZBQOSA-N 1 1 398.301 2.058 20 0 GEADMO Cc1nn2c(C[N@@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 ZINC000506059632 650443147 /nfs/dbraw/zinc/44/31/47/650443147.db2.gz LDDPTUNJSPCJNX-LLVKDONJSA-N 1 1 379.511 2.248 20 0 GEADMO Cc1nn2c(C[N@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 ZINC000506059632 650443149 /nfs/dbraw/zinc/44/31/49/650443149.db2.gz LDDPTUNJSPCJNX-LLVKDONJSA-N 1 1 379.511 2.248 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000506629467 650447952 /nfs/dbraw/zinc/44/79/52/650447952.db2.gz YSXJJCPNWQUNNP-GFCCVEGCSA-N 1 1 398.301 2.387 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000461234198 650451267 /nfs/dbraw/zinc/45/12/67/650451267.db2.gz PROSZJKHUAQVPL-VXGBXAGGSA-N 1 1 380.286 2.458 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cnc(CC)s2)[C@H](C)C1 ZINC000460955925 650448868 /nfs/dbraw/zinc/44/88/68/650448868.db2.gz JKPQDJLGHJEJGO-KGLIPLIRSA-N 1 1 375.560 2.121 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000507410444 650460266 /nfs/dbraw/zinc/46/02/66/650460266.db2.gz VAGTYOAEONHAKJ-AWEZNQCLSA-N 1 1 387.933 2.145 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)CCc1ccccc1Br ZINC000462082634 650466473 /nfs/dbraw/zinc/46/64/73/650466473.db2.gz HXUVZIHEKOPZRW-UHFFFAOYSA-N 1 1 375.332 2.347 20 0 GEADMO 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Brc1cnc2c(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)cnn2c1 ZINC000639302260 652931341 /nfs/dbraw/zinc/93/13/41/652931341.db2.gz KYRHXSGJYOLRTF-MRXNPFEDSA-N 1 1 394.317 2.179 20 0 GEADMO C[C@@H](OC[C@H](O)C[NH+]1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000675509400 652931635 /nfs/dbraw/zinc/93/16/35/652931635.db2.gz PCMMZKBZBGQWLR-CZUORRHYSA-N 1 1 375.918 2.288 20 0 GEADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639317724 652931686 /nfs/dbraw/zinc/93/16/86/652931686.db2.gz SSAFSTWUIYRKFW-INIZCTEOSA-N 1 1 379.551 2.144 20 0 GEADMO C[C@@H](CNc1ncnc2cccc(I)c21)[NH+]1CCOCC1 ZINC000612399880 652934016 /nfs/dbraw/zinc/93/40/16/652934016.db2.gz GSCQPVNFJPZOFF-NSHDSACASA-N 1 1 398.248 2.367 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639447560 652937219 /nfs/dbraw/zinc/93/72/19/652937219.db2.gz WXIZUCOMLICTMN-CXAGYDPISA-N 1 1 385.302 2.231 20 0 GEADMO C[N@H+](CC(=O)Nc1ccccc1Br)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639447560 652937225 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CSCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)s1 ZINC000601157649 652956896 /nfs/dbraw/zinc/95/68/96/652956896.db2.gz CDWTZEULFYMLSM-ZIAGYGMSSA-N 1 1 375.585 2.489 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000676206277 652957385 /nfs/dbraw/zinc/95/73/85/652957385.db2.gz SQPDRGJPNCWSAX-YUELXQCFSA-N 1 1 385.555 2.050 20 0 GEADMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000601296733 653085289 /nfs/dbraw/zinc/08/52/89/653085289.db2.gz YVKKGLPGSNQMBI-UTLUCORTSA-N 1 1 375.238 2.305 20 0 GEADMO C[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639922051 653089005 /nfs/dbraw/zinc/08/90/05/653089005.db2.gz VGCWFBIHYJKALY-NSHDSACASA-N 1 1 379.295 2.302 20 0 GEADMO C[C@H](NC(=O)NCCOc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000676243955 653092764 /nfs/dbraw/zinc/09/27/64/653092764.db2.gz LBJLIIHBTQDRDW-FZMZJTMJSA-N 1 1 376.284 2.391 20 0 GEADMO C[C@H](NC(=O)NCCOc1cccc(Cl)c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243955 653092767 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653103601 /nfs/dbraw/zinc/10/36/01/653103601.db2.gz CHVUEPXDKOVFNV-AWEZNQCLSA-N 1 1 377.432 2.087 20 0 GEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000771345967 653105784 /nfs/dbraw/zinc/10/57/84/653105784.db2.gz XUVPGMJHMPNOFG-OAGGEKHMSA-N 1 1 386.631 2.081 20 0 GEADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000771394042 653108781 /nfs/dbraw/zinc/10/87/81/653108781.db2.gz GNNHZOOPLPDEKP-RYUDHWBXSA-N 1 1 379.917 2.438 20 0 GEADMO C[C@H](NC(=O)Nc1nn(C)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000640311804 653115691 /nfs/dbraw/zinc/11/56/91/653115691.db2.gz ICKLUIHULRENSJ-NWDGAFQWSA-N 1 1 384.322 2.957 20 0 GEADMO C[C@@H](NC(=O)Nc1nn(C)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000640311803 653115761 /nfs/dbraw/zinc/11/57/61/653115761.db2.gz ICKLUIHULRENSJ-NEPJUHHUSA-N 1 1 384.322 2.957 20 0 GEADMO CN(C1CC1)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677808712 653122538 /nfs/dbraw/zinc/12/25/38/653122538.db2.gz 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C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000768855403 653132625 /nfs/dbraw/zinc/13/26/25/653132625.db2.gz YKNBWFJEIDKHCA-WDEREUQCSA-N 1 1 398.248 2.104 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000768855403 653132637 /nfs/dbraw/zinc/13/26/37/653132637.db2.gz YKNBWFJEIDKHCA-WDEREUQCSA-N 1 1 398.248 2.104 20 0 GEADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cnc(Cl)n1C ZINC000769390257 653150946 /nfs/dbraw/zinc/15/09/46/653150946.db2.gz RIZQGDQOJUXHAI-HIFRSBDPSA-N 1 1 380.901 2.379 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000806190129 653154388 /nfs/dbraw/zinc/15/43/88/653154388.db2.gz VUWBEAQEZVLIAK-GFCCVEGCSA-N 1 1 389.279 2.468 20 0 GEADMO COCC[N@H+](CCC(=O)OC)Cc1ccccc1I ZINC000769425191 653155464 /nfs/dbraw/zinc/15/54/64/653155464.db2.gz OAMXTYAQBXIQMI-UHFFFAOYSA-N 1 1 377.222 2.303 20 0 GEADMO COCC[N@@H+](CCC(=O)OC)Cc1ccccc1I ZINC000769425191 653155468 /nfs/dbraw/zinc/15/54/68/653155468.db2.gz 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CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cn(C)cc(Br)c2=O)[C@@H](C)C1 ZINC000680844363 653171216 /nfs/dbraw/zinc/17/12/16/653171216.db2.gz FZKMKVGVAFISQU-FZMZJTMJSA-N 1 1 385.306 2.342 20 0 GEADMO COc1cc(CS(=O)(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)sn1 ZINC000641292143 653180105 /nfs/dbraw/zinc/18/01/05/653180105.db2.gz IKYLBTFCAVINBS-ZFWWWQNUSA-N 1 1 381.523 2.407 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000773198007 653187195 /nfs/dbraw/zinc/18/71/95/653187195.db2.gz LKWABNPFKLYNTG-MNOVXSKESA-N 1 1 388.331 2.229 20 0 GEADMO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)on1 ZINC000602521669 653187611 /nfs/dbraw/zinc/18/76/11/653187611.db2.gz MSGKQFDJAYLBCY-SECBINFHSA-N 1 1 375.208 2.298 20 0 GEADMO Cc1ccc(NCCCNC(=O)c2nccn3c(Br)cnc23)[nH+]c1 ZINC000769943783 653192206 /nfs/dbraw/zinc/19/22/06/653192206.db2.gz PEARHOWMQNHILA-UHFFFAOYSA-N 1 1 389.257 2.427 20 0 GEADMO COC(=O)C12CCC(CC1)N2C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000602600857 653193722 /nfs/dbraw/zinc/19/37/22/653193722.db2.gz HXQYVKNNJHPHCV-UHFFFAOYSA-N 1 1 385.283 2.424 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)[C@@H](C)O1 ZINC000602601198 653193944 /nfs/dbraw/zinc/19/39/44/653193944.db2.gz ZERNJPYZVNWKNF-BHNWBGBOSA-N 1 1 392.262 2.252 20 0 GEADMO COC[C@H](N[C@H]1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000602630563 653196580 /nfs/dbraw/zinc/19/65/80/653196580.db2.gz AEZXUDZOKOWISV-JYJNAYRXSA-N 1 1 385.302 2.362 20 0 GEADMO COC[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1)C(=O)OC ZINC000602630563 653196584 /nfs/dbraw/zinc/19/65/84/653196584.db2.gz AEZXUDZOKOWISV-JYJNAYRXSA-N 1 1 385.302 2.362 20 0 GEADMO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000770151065 653200597 /nfs/dbraw/zinc/20/05/97/653200597.db2.gz QLOQQZHROKNTAZ-LLVKDONJSA-N 1 1 389.315 2.067 20 0 GEADMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000770151065 653200602 /nfs/dbraw/zinc/20/06/02/653200602.db2.gz QLOQQZHROKNTAZ-LLVKDONJSA-N 1 1 389.315 2.067 20 0 GEADMO COc1cc(CS(=O)(=O)NCc2ccc(C)[nH+]c2N2CCCC2)sn1 ZINC000641416758 653202928 /nfs/dbraw/zinc/20/29/28/653202928.db2.gz OAORTJJFTOIFMZ-UHFFFAOYSA-N 1 1 382.511 2.075 20 0 GEADMO CC1(C)CN(C(=O)CCc2cc(Br)cs2)CC[N@H+]1CCO ZINC000682010854 653203206 /nfs/dbraw/zinc/20/32/06/653203206.db2.gz HKUFYXDGMVOZIR-UHFFFAOYSA-N 1 1 375.332 2.358 20 0 GEADMO Cc1cc(NC(=O)[C@@H](C)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1Br ZINC000682033327 653204287 /nfs/dbraw/zinc/20/42/87/653204287.db2.gz PCACEHOROIVZBY-CQSZACIVSA-N 1 1 398.345 2.473 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1Br)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682036386 653205379 /nfs/dbraw/zinc/20/53/79/653205379.db2.gz SOAJMFDFJMYHMG-CYBMUJFWSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682034986 653205403 /nfs/dbraw/zinc/20/54/03/653205403.db2.gz ORFYLPUPUGVEPN-ZDUSSCGKSA-N 1 1 384.318 2.165 20 0 GEADMO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000682040515 653206057 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O=C(Cc1noc(C[NH2+]C[C@H]2CCCO2)n1)Nc1ccccc1Br ZINC000843218889 653781548 /nfs/dbraw/zinc/78/15/48/653781548.db2.gz JCYHPFGVDGLPDH-LLVKDONJSA-N 1 1 395.257 2.282 20 0 GEADMO Brc1ccn2cc(-c3noc(C[NH2+]C[C@H]4CCCO4)n3)nc2c1 ZINC000843233526 653782157 /nfs/dbraw/zinc/78/21/57/653782157.db2.gz HZJCATFNMBXUKN-LLVKDONJSA-N 1 1 378.230 2.415 20 0 GEADMO C[C@@H](CNC(=O)c1cc(F)c(Br)cc1F)C[NH+]1CCOCC1 ZINC000865993605 653782841 /nfs/dbraw/zinc/78/28/41/653782841.db2.gz AASAXILDZNVQSC-JTQLQIEISA-N 1 1 377.229 2.425 20 0 GEADMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2cccc3scnc32)C[C@@H](C)O1 ZINC000820793569 653783600 /nfs/dbraw/zinc/78/36/00/653783600.db2.gz ARTULIRJNWEYEP-ZIAGYGMSSA-N 1 1 383.539 2.464 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000882480245 653784163 /nfs/dbraw/zinc/78/41/63/653784163.db2.gz DOXRTFOUCUCDEM-CYBMUJFWSA-N 1 1 387.933 2.193 20 0 GEADMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@@H]21 ZINC000882500881 653785226 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382.452 2.084 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000823133672 653855182 /nfs/dbraw/zinc/85/51/82/653855182.db2.gz PCNMAIXLQNAHLX-OCCSQVGLSA-N 1 1 380.286 2.428 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)nc1Br ZINC000792948408 653856519 /nfs/dbraw/zinc/85/65/19/653856519.db2.gz UEEQCPOHDULMKE-NSHDSACASA-N 1 1 395.257 2.103 20 0 GEADMO Brc1cccc(-c2n[nH]c(-c3noc(C[C@@H]4CC[NH2+]C4)n3)n2)c1 ZINC000823185907 653856835 /nfs/dbraw/zinc/85/68/35/653856835.db2.gz WZLBQPNQTVKONG-VIFPVBQESA-N 1 1 375.230 2.436 20 0 GEADMO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+]1CCCC[C@@H]1C ZINC000792952972 653857030 /nfs/dbraw/zinc/85/70/30/653857030.db2.gz LQYMGRWGYILHMK-NWDGAFQWSA-N 1 1 383.290 2.162 20 0 GEADMO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000866968950 653857638 /nfs/dbraw/zinc/85/76/38/653857638.db2.gz QPFSFXQBFSSYJN-NPMXOYFQSA-N 1 1 379.592 2.325 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nc1Br 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CSC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1 ZINC000793792340 653885321 /nfs/dbraw/zinc/88/53/21/653885321.db2.gz PFPOPBDPDYNFJG-ZDUSSCGKSA-N 1 1 381.523 2.114 20 0 GEADMO C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896556492 653885521 /nfs/dbraw/zinc/88/55/21/653885521.db2.gz PRFPJRXWQJYTAC-NOZJJQNGSA-N 1 1 376.245 2.091 20 0 GEADMO C[C@H](NC(=O)CCCOc1ccccc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896570928 653886089 /nfs/dbraw/zinc/88/60/89/653886089.db2.gz NGOCIPRZIDUXTI-GOEBONIOSA-N 1 1 398.345 2.359 20 0 GEADMO C[C@H](NC(=O)CCCOc1ccccc1Br)[C@H]1CN(C)CC[N@@H+]1C ZINC000896570928 653886093 /nfs/dbraw/zinc/88/60/93/653886093.db2.gz NGOCIPRZIDUXTI-GOEBONIOSA-N 1 1 398.345 2.359 20 0 GEADMO C[C@H](NC(=O)CCCOc1ccccc1Br)[C@H]1CN(C)CC[N@H+]1C ZINC000896570928 653886094 /nfs/dbraw/zinc/88/60/94/653886094.db2.gz NGOCIPRZIDUXTI-GOEBONIOSA-N 1 1 398.345 2.359 20 0 GEADMO OCCOCC1(O)CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000884722812 653886274 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O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1Br ZINC000855403025 654416635 /nfs/dbraw/zinc/41/66/35/654416635.db2.gz IJUAUSKWDWGXOK-HNNXBMFYSA-N 1 1 390.281 2.341 20 0 GEADMO CS(=O)(=O)C1(C[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873118340 654416820 /nfs/dbraw/zinc/41/68/20/654416820.db2.gz HBZVNJWKAJNDAA-UHFFFAOYSA-N 1 1 383.226 2.097 20 0 GEADMO COc1ccc(Cn2cc(C[NH2+]CCn3cc(Br)cn3)nn2)cc1 ZINC000873126576 654417240 /nfs/dbraw/zinc/41/72/40/654417240.db2.gz UPSLNOWYZIIQRY-UHFFFAOYSA-N 1 1 391.273 2.084 20 0 GEADMO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc(F)c1I ZINC000873127836 654417277 /nfs/dbraw/zinc/41/72/77/654417277.db2.gz YFOHRNNHNILEQQ-NSHDSACASA-N 1 1 396.269 2.388 20 0 GEADMO Fc1ccc(I)c(F)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922939206 654420877 /nfs/dbraw/zinc/42/08/77/654420877.db2.gz CJGIRPRWAXTYLA-VIFPVBQESA-N 1 1 383.176 2.465 20 0 GEADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nscc1I ZINC000906241356 654423702 /nfs/dbraw/zinc/42/37/02/654423702.db2.gz UUHPOWLRJVSNOY-DTWKUNHWSA-N 1 1 377.251 2.104 20 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C[C@@H](CNCc1cn(C)nc1I)[N@H+]1CCC[C@H](C)C1 ZINC000894176482 654453308 /nfs/dbraw/zinc/45/33/08/654453308.db2.gz LSSCDITWPRJKDI-RYUDHWBXSA-N 1 1 376.286 2.235 20 0 GEADMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000906602458 654452993 /nfs/dbraw/zinc/45/29/93/654452993.db2.gz QWUIOFWQKWOBFU-UHFFFAOYSA-N 1 1 382.917 2.175 20 0 GEADMO CO[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000906603014 654453072 /nfs/dbraw/zinc/45/30/72/654453072.db2.gz UCKKSCSZKSRBLF-CYBMUJFWSA-N 1 1 391.331 2.113 20 0 GEADMO C[C@H](CNCc1cn(C)nc1I)[N@H+]1CCCC[C@@H]1C ZINC000894175785 654453368 /nfs/dbraw/zinc/45/33/68/654453368.db2.gz LVGPQEMPGMTXJO-NWDGAFQWSA-N 1 1 376.286 2.377 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873717921 654453776 /nfs/dbraw/zinc/45/37/76/654453776.db2.gz HJMHYEDJAPRBII-WDEREUQCSA-N 1 1 390.242 2.050 20 0 GEADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1c(I)cnn1C ZINC000894201084 654455192 /nfs/dbraw/zinc/45/51/92/654455192.db2.gz 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CN1CC[NH+](CC2CCN(Cc3ncc(Br)cc3O)CC2)CC1 ZINC000894457940 654477281 /nfs/dbraw/zinc/47/72/81/654477281.db2.gz JRCKVUYWXCIPEY-UHFFFAOYSA-N 1 1 383.334 2.009 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000873906959 654480786 /nfs/dbraw/zinc/48/07/86/654480786.db2.gz PRESDRXZXGUCHP-YHWZYXNKSA-N 1 1 396.285 2.138 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)c2ccccc2)oc1Cl ZINC000906888135 654483303 /nfs/dbraw/zinc/48/33/03/654483303.db2.gz UCLCMYYUZXUTTE-UHFFFAOYSA-N 1 1 386.857 2.477 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000873938736 654485438 /nfs/dbraw/zinc/48/54/38/654485438.db2.gz ODANJSLBUCLHHB-LBPRGKRZSA-N 1 1 398.301 2.385 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C[N@H+]1C1CC1 ZINC000906943267 654490668 /nfs/dbraw/zinc/49/06/68/654490668.db2.gz ZAVLRIAAHNCGMS-PWSUYJOCSA-N 1 1 380.286 2.301 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(c3ncc(Br)c4cccnc43)CC2)C1 ZINC000894621654 654491273 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CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164646261 719307854 /nfs/dbraw/zinc/30/78/54/719307854.db2.gz DDOZGJDQHRBZOW-UHFFFAOYSA-N 1 1 376.892 2.236 20 0 GEADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164648381 719311224 /nfs/dbraw/zinc/31/12/24/719311224.db2.gz JULFTYGIJZRGNM-UHFFFAOYSA-N 1 1 376.892 2.236 20 0 GEADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164647588 719311325 /nfs/dbraw/zinc/31/13/25/719311325.db2.gz DDKUJXSCWGZIBT-UHFFFAOYSA-N 1 1 380.496 2.335 20 0 GEADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC000153175965 719442096 /nfs/dbraw/zinc/44/20/96/719442096.db2.gz RPISOJQSQUQREL-JKSUJKDBSA-N 1 1 387.553 2.423 20 0 GEADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164668088 719483778 /nfs/dbraw/zinc/48/37/78/719483778.db2.gz NWAOQKVLSUPQPP-XJKSGUPXSA-N 1 1 376.844 2.450 20 0 GEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164689598 719747243 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GEADMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164814336 720137006 /nfs/dbraw/zinc/13/70/06/720137006.db2.gz RUBRXAYRTVUXFO-NFBKMPQASA-N 1 1 399.583 2.018 20 0 GEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164814336 720137012 /nfs/dbraw/zinc/13/70/12/720137012.db2.gz RUBRXAYRTVUXFO-NFBKMPQASA-N 1 1 399.583 2.018 20 0 GEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-n3cnc(C)c3)nn1)C2 ZINC001164808080 720143826 /nfs/dbraw/zinc/14/38/26/720143826.db2.gz DLFWXAHBNYZJOS-WIYYLYMNSA-N 1 1 382.512 2.155 20 0 GEADMO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCOCC3)n1)C2 ZINC001164813777 720149297 /nfs/dbraw/zinc/14/92/97/720149297.db2.gz FAWPTLLSRLSZCS-UGKGYDQZSA-N 1 1 386.540 2.103 20 0 GEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CCOCC3)n1)C2 ZINC001164813777 720149304 /nfs/dbraw/zinc/14/93/04/720149304.db2.gz FAWPTLLSRLSZCS-UGKGYDQZSA-N 1 1 386.540 2.103 20 0 GEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccccc3n1)CCC2 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720653693 /nfs/dbraw/zinc/65/36/93/720653693.db2.gz MFVJLLSRFNUOHD-FUHWJXTLSA-N 1 1 377.448 2.375 20 0 GEADMO FC(F)(Oc1cccnc1Cl)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743596 720654430 /nfs/dbraw/zinc/65/44/30/720654430.db2.gz PPCDTHWRVBIWOQ-STQMWFEESA-N 1 1 397.813 2.292 20 0 GEADMO FC(F)(Oc1cccnc1Cl)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743596 720654451 /nfs/dbraw/zinc/65/44/51/720654451.db2.gz PPCDTHWRVBIWOQ-STQMWFEESA-N 1 1 397.813 2.292 20 0 GEADMO COc1cccc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164740810 720654791 /nfs/dbraw/zinc/65/47/91/720654791.db2.gz JFZZGICNXOSBMN-IRXDYDNUSA-N 1 1 377.448 2.375 20 0 GEADMO Clc1ncnc2scc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164744342 720674643 /nfs/dbraw/zinc/67/46/43/720674643.db2.gz ZKNLKEXCIVJZIO-VXGBXAGGSA-N 1 1 388.884 2.477 20 0 GEADMO CCOc1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737051 720708156 /nfs/dbraw/zinc/70/81/56/720708156.db2.gz CRZUTNUBYVOMAK-NVXWUHKLSA-N 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CCc1nc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164739400 720775175 /nfs/dbraw/zinc/77/51/75/720775175.db2.gz IMQXCSBITVMQDO-NWDGAFQWSA-N 1 1 395.294 2.478 20 0 GEADMO c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1COC1CCC1 ZINC001164742773 720797442 /nfs/dbraw/zinc/79/74/42/720797442.db2.gz DVXJCYDUIVUHQX-IEBWSBKVSA-N 1 1 381.480 2.283 20 0 GEADMO c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1COC1CCC1 ZINC001164742772 720798468 /nfs/dbraw/zinc/79/84/68/720798468.db2.gz DVXJCYDUIVUHQX-HKUYNNGSSA-N 1 1 381.480 2.283 20 0 GEADMO c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cs1 ZINC001164745505 720798765 /nfs/dbraw/zinc/79/87/65/720798765.db2.gz KPUGHWPKFOKJEH-HZPDHXFCSA-N 1 1 380.477 2.337 20 0 GEADMO c1cc2c(nc(C3CCC3)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)[nH]1 ZINC001164742276 720807684 /nfs/dbraw/zinc/80/76/84/720807684.db2.gz CRZSZXRWGXMWFA-JKSUJKDBSA-N 1 1 391.479 2.357 20 0 GEADMO C[N@@H+](Cc1ccc(N2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)nc1)C1CC1 ZINC001164854134 720813620 /nfs/dbraw/zinc/81/36/20/720813620.db2.gz SPQWFNCTNYDMEG-AZUAARDMSA-N 1 1 377.492 2.166 20 0 GEADMO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738773 720817799 /nfs/dbraw/zinc/81/77/99/720817799.db2.gz GKCXGQTZXVQZEG-ZIFCJYIRSA-N 1 1 392.511 2.237 20 0 GEADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1Cl ZINC001164741811 720818015 /nfs/dbraw/zinc/81/80/15/720818015.db2.gz OJVJRFIIOGGWMH-SOLBZPMBSA-N 1 1 387.919 2.409 20 0 GEADMO CCCc1cncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743334 720824613 /nfs/dbraw/zinc/82/46/13/720824613.db2.gz SGMZICGWDFKXGQ-HSALFYBXSA-N 1 1 381.528 2.400 20 0 GEADMO CCCc1cncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743335 720824892 /nfs/dbraw/zinc/82/48/92/720824892.db2.gz SGMZICGWDFKXGQ-SLFFLAALSA-N 1 1 381.528 2.400 20 0 GEADMO COc1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741271 720826713 /nfs/dbraw/zinc/82/67/13/720826713.db2.gz MZVCATDIGCYGJH-CEXWTWQISA-N 1 1 382.512 2.370 20 0 GEADMO Nc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164739730 720829662 /nfs/dbraw/zinc/82/96/62/720829662.db2.gz IGZHCTFNEPKAND-QGPMSJSTSA-N 1 1 387.919 2.288 20 0 GEADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001164847026 720831640 /nfs/dbraw/zinc/83/16/40/720831640.db2.gz HRALIQOQUCETHJ-GDBMZVCRSA-N 1 1 397.903 2.085 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)CC[C@@H]2C1 ZINC001164858240 720839435 /nfs/dbraw/zinc/83/94/35/720839435.db2.gz ZEPLGTGAMFDSNP-CZUORRHYSA-N 1 1 398.960 2.093 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)OC(C)(C)C)ccn3)CC[C@H]2C1 ZINC001164852261 720839612 /nfs/dbraw/zinc/83/96/12/720839612.db2.gz JTRGBQDEHCGDFL-ZWKOTPCHSA-N 1 1 391.512 2.210 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c(Cl)cccc43)CC[C@H]2C1 ZINC001164850172 720841778 /nfs/dbraw/zinc/84/17/78/720841778.db2.gz DSIBTOHBDQMDRI-WMLDXEAASA-N 1 1 376.888 2.457 20 0 GEADMO FC(F)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739406 720842260 /nfs/dbraw/zinc/84/22/60/720842260.db2.gz ADLKDTNOVRYBRK-HLLBOEOZSA-N 1 1 389.454 2.385 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)CC[C@H]2C1 ZINC001164856402 720846592 /nfs/dbraw/zinc/84/65/92/720846592.db2.gz WEBXTNKMFNOTHF-ZFWWWQNUSA-N 1 1 396.919 2.069 20 0 GEADMO CSc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164740505 720847110 /nfs/dbraw/zinc/84/71/10/720847110.db2.gz CDHXTWHUBMJWMM-IXDOHACOSA-N 1 1 385.541 2.169 20 0 GEADMO CCc1nc(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746619 720848479 /nfs/dbraw/zinc/84/84/79/720848479.db2.gz PPVBGRRCBUNZKX-GBESFXJTSA-N 1 1 381.528 2.318 20 0 GEADMO CC(C)Oc1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739970 720849151 /nfs/dbraw/zinc/84/91/51/720849151.db2.gz BESWWYPEYDGOGY-CEXWTWQISA-N 1 1 397.527 2.235 20 0 GEADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc4cc(C(=O)OC)ccc43)CC[C@H]2C1 ZINC001164853286 720849735 /nfs/dbraw/zinc/84/97/35/720849735.db2.gz NYKZDCIMNBINHR-ICSRJNTNSA-N 1 1 399.491 2.195 20 0 GEADMO Cc1nc(C)c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748149 720852910 /nfs/dbraw/zinc/85/29/10/720852910.db2.gz KPPWNQVBLJTSMZ-SLFFLAALSA-N 1 1 381.528 2.373 20 0 GEADMO CC(C)Oc1nccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745298 720853591 /nfs/dbraw/zinc/85/35/91/720853591.db2.gz CTTRHAGMKSWJNZ-GBESFXJTSA-N 1 1 397.527 2.235 20 0 GEADMO Nc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164744636 720858866 /nfs/dbraw/zinc/85/88/66/720858866.db2.gz CAOHDBWWFDIGSM-ZMSDIMECSA-N 1 1 387.919 2.288 20 0 GEADMO CCOc1ccc2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c2c1 ZINC001164854386 720859168 /nfs/dbraw/zinc/85/91/68/720859168.db2.gz JQDMUMMLLVVNAM-UZLBHIALSA-N 1 1 386.496 2.202 20 0 GEADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(SC)nc(SC)n3)CC[C@H]2C1 ZINC001164861583 720890272 /nfs/dbraw/zinc/89/02/72/720890272.db2.gz PTTNWDFQNJAQJY-UONOGXRCSA-N 1 1 384.571 2.094 20 0 GEADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C(N)=O)[C@@H]2C ZINC001164859905 720965582 /nfs/dbraw/zinc/96/55/82/720965582.db2.gz ODZKEOPPCOCANV-GFCCVEGCSA-N 1 1 376.892 2.452 20 0 GEADMO CCOC(=O)Cc1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nn1 ZINC001164856247 720982991 /nfs/dbraw/zinc/98/29/91/720982991.db2.gz AGMOQCLKMGVUTN-HNNXBMFYSA-N 1 1 386.500 2.200 20 0 GEADMO CCOC(=O)c1ccc(C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867936 721040341 /nfs/dbraw/zinc/04/03/41/721040341.db2.gz LAGGTQINNSWKGY-RBUKOAKNSA-N 1 1 396.491 2.441 20 0 GEADMO CCN(C)c1cc(C)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867929 721040917 /nfs/dbraw/zinc/04/09/17/721040917.db2.gz KZEKFYXGZGUYJB-RTBURBONSA-N 1 1 382.512 2.116 20 0 GEADMO Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869222 721041142 /nfs/dbraw/zinc/04/11/42/721041142.db2.gz SIQBQMMCXIRMBE-WOJBJXKFSA-N 1 1 394.523 2.260 20 0 GEADMO CCOC(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164866520 721045977 /nfs/dbraw/zinc/04/59/77/721045977.db2.gz DWDYLOGMZLWDBZ-RBUKOAKNSA-N 1 1 382.464 2.133 20 0 GEADMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869937 721068005 /nfs/dbraw/zinc/06/80/05/721068005.db2.gz UQKXUIJWEWLWQU-ZIAGYGMSSA-N 1 1 392.916 2.122 20 0 GEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C)c1 ZINC001164870676 721068045 /nfs/dbraw/zinc/06/80/45/721068045.db2.gz WQMKTINMKMVYSN-PMACEKPBSA-N 1 1 396.491 2.441 20 0 GEADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2[nH]1 ZINC001164866081 721071688 /nfs/dbraw/zinc/07/16/88/721071688.db2.gz CMUUFBIXOVAVMV-CABCVRRESA-N 1 1 399.886 2.189 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCCC4)C[C@H]3C2)cn1 ZINC001164770361 721072308 /nfs/dbraw/zinc/07/23/08/721072308.db2.gz PTZVPNAIHOUPGA-RTBURBONSA-N 1 1 394.523 2.009 20 0 GEADMO C=C(OCC)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164864975 721089198 /nfs/dbraw/zinc/08/91/98/721089198.db2.gz HVJOFXBMSZOJCU-MOPGFXCFSA-N 1 1 381.480 2.359 20 0 GEADMO COc1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762785 721096133 /nfs/dbraw/zinc/09/61/33/721096133.db2.gz FHLXRXYTFIIZOC-SJORKVTESA-N 1 1 378.480 2.330 20 0 GEADMO COC(=O)c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1C ZINC001164864051 721103032 /nfs/dbraw/zinc/10/30/32/721103032.db2.gz DSNDPEDGGHNMNT-ROUUACIJSA-N 1 1 382.464 2.051 20 0 GEADMO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C)c1 ZINC001164765584 721103701 /nfs/dbraw/zinc/10/37/01/721103701.db2.gz JDHBKGWMCFYGKO-HKUYNNGSSA-N 1 1 383.496 2.259 20 0 GEADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164865735 721109690 /nfs/dbraw/zinc/10/96/90/721109690.db2.gz OWEFVIVDCVQEBI-UXHICEINSA-N 1 1 394.523 2.342 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc5c4C(=O)OC5(C)C)C[C@H]3C2)cn1 ZINC001164762194 721114211 /nfs/dbraw/zinc/11/42/11/721114211.db2.gz CNABSLBZABZLHN-HZPDHXFCSA-N 1 1 381.480 2.179 20 0 GEADMO CCOC(=O)c1c(C)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865791 721119612 /nfs/dbraw/zinc/11/96/12/721119612.db2.gz PNQGUZMNSOUIPY-OALUTQOASA-N 1 1 396.491 2.441 20 0 GEADMO COc1ccc2c(c1)ncnc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764089 721132735 /nfs/dbraw/zinc/13/27/35/721132735.db2.gz GVBBKARMSXZTRH-DLBZAZTESA-N 1 1 378.480 2.330 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164766430 721135308 /nfs/dbraw/zinc/13/53/08/721135308.db2.gz LCHQZLLQFVCVSX-KGLIPLIRSA-N 1 1 382.846 2.367 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)NC(C)(C)C)cn4)C[C@@H]3C2)cn1 ZINC001164774042 721135803 /nfs/dbraw/zinc/13/58/03/721135803.db2.gz ZSYIYFBDUCYJTC-OALUTQOASA-N 1 1 396.539 2.302 20 0 GEADMO COc1cccc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc21 ZINC001164773948 721142198 /nfs/dbraw/zinc/14/21/98/721142198.db2.gz ZLCPXFBQSRYDQJ-ROUUACIJSA-N 1 1 378.480 2.330 20 0 GEADMO COC(=O)c1ccc(Cl)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164772298 721146799 /nfs/dbraw/zinc/14/67/99/721146799.db2.gz VKSOLTJHXPOHAT-CABCVRRESA-N 1 1 389.887 2.213 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cncc(Cl)n4)C[C@H]3C2)cn1 ZINC001164770158 721175579 /nfs/dbraw/zinc/17/55/79/721175579.db2.gz NUNHMXMDOFATBU-ZIAGYGMSSA-N 1 1 382.846 2.367 20 0 GEADMO c1cncc(CO[C@H]2C[C@H]3CN(c4nccnc4OC4CCC4)CC[N@H+]3C2)c1 ZINC001164880694 721175968 /nfs/dbraw/zinc/17/59/68/721175968.db2.gz XCWOCAMATXNPHH-HKUYNNGSSA-N 1 1 381.480 2.283 20 0 GEADMO COC(=O)/C=C/c1cc(C)cnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773865 721177392 /nfs/dbraw/zinc/17/73/92/721177392.db2.gz XMYCNOZKEVMICZ-UVEXCMSLSA-N 1 1 395.507 2.268 20 0 GEADMO COC(=O)c1cc2c[nH]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc-2n1 ZINC001164767841 721178095 /nfs/dbraw/zinc/17/80/95/721178095.db2.gz KSULYLFYEAOHBQ-DOTOQJQBSA-N 1 1 394.479 2.041 20 0 GEADMO CC1CCN(c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)CC1 ZINC001164770113 721204161 /nfs/dbraw/zinc/20/41/61/721204161.db2.gz NEFCWGFNPUIHKU-UXHICEINSA-N 1 1 395.555 2.405 20 0 GEADMO Cc1noc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)n1 ZINC001164764025 721209757 /nfs/dbraw/zinc/20/97/57/721209757.db2.gz GAEZTAQCUUQODP-ZWKOTPCHSA-N 1 1 379.468 2.132 20 0 GEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4cnc(Cl)cn4)C[C@H]3C2)cn1 ZINC001164767931 721244921 /nfs/dbraw/zinc/24/49/21/721244921.db2.gz XDKUNDHCBIRKMJ-UONOGXRCSA-N 1 1 398.845 2.247 20 0 GEADMO Cc1nc2ccoc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891827 721380218 /nfs/dbraw/zinc/38/02/18/721380218.db2.gz QKJGURMFYOUJTG-UWJYYQICSA-N 1 1 385.512 2.297 20 0 GEADMO Cc1nnc(Cl)cc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164889315 721395822 /nfs/dbraw/zinc/39/58/22/721395822.db2.gz LRLDECMDDCLXHN-QFBILLFUSA-N 1 1 379.936 2.204 20 0 GEADMO COC(=O)c1c[nH]c2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)ccc12 ZINC001164785828 721402163 /nfs/dbraw/zinc/40/21/63/721402163.db2.gz NCQIAMLXXWEESP-BETUJISGSA-N 1 1 383.477 2.374 20 0 GEADMO COC(=O)c1c[nH]c2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)ccc12 ZINC001164785828 721402167 /nfs/dbraw/zinc/40/21/67/721402167.db2.gz NCQIAMLXXWEESP-BETUJISGSA-N 1 1 383.477 2.374 20 0 GEADMO O=c1cc2[nH]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164785462 721412722 /nfs/dbraw/zinc/41/27/22/721412722.db2.gz MLUNBHOKBGSETL-PHIMTYICSA-N 1 1 375.885 2.254 20 0 GEADMO CON(C)C(=O)c1cc(C)cnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785578 721420880 /nfs/dbraw/zinc/42/08/80/721420880.db2.gz NJZXHGDXTGUBJU-GJZGRUSLSA-N 1 1 387.509 2.048 20 0 GEADMO COC(=O)CSc1cccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781143 721421870 /nfs/dbraw/zinc/42/18/70/721421870.db2.gz BZHDHGANZWTZIN-ZIAGYGMSSA-N 1 1 390.534 2.371 20 0 GEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(C(F)F)n4)C3)O2)CC1 ZINC001164890803 721428276 /nfs/dbraw/zinc/42/82/76/721428276.db2.gz FWOJYRHBELWZCH-KXBFYZLASA-N 1 1 381.471 2.180 20 0 GEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C(F)F)cn4)C3)O2)CC1 ZINC001164893823 721445647 /nfs/dbraw/zinc/44/56/47/721445647.db2.gz KTNZUXBDRNOQED-APWZRJJASA-N 1 1 381.471 2.180 20 0 GEADMO Cn1nnc2c1ncnc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796303 721500516 /nfs/dbraw/zinc/50/05/16/721500516.db2.gz PNIASFFXLJTLEH-UHFFFAOYSA-N 1 1 378.484 2.034 20 0 GEADMO COC(=O)c1cc(F)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899989 721513736 /nfs/dbraw/zinc/51/37/36/721513736.db2.gz MXYMVPKQZIKMLE-WBVHZDCISA-N 1 1 389.402 2.488 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164796171 721523468 /nfs/dbraw/zinc/52/34/68/721523468.db2.gz XGOJXXHWZWZMJR-SBHAEUEKSA-N 1 1 394.523 2.340 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164796171 721523473 /nfs/dbraw/zinc/52/34/73/721523473.db2.gz XGOJXXHWZWZMJR-SBHAEUEKSA-N 1 1 394.523 2.340 20 0 GEADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164898547 721525442 /nfs/dbraw/zinc/52/54/42/721525442.db2.gz INGOYGQYZAAQLI-WBVHZDCISA-N 1 1 386.427 2.134 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164794761 721527357 /nfs/dbraw/zinc/52/73/57/721527357.db2.gz HLUCVRHPKIHKGE-IIAWOOMASA-N 1 1 399.886 2.270 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164794761 721527361 /nfs/dbraw/zinc/52/73/61/721527361.db2.gz HLUCVRHPKIHKGE-IIAWOOMASA-N 1 1 399.886 2.270 20 0 GEADMO COc1cnc(Cl)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795892 721528027 /nfs/dbraw/zinc/52/80/27/721528027.db2.gz UOAYKLGZMHWWGF-ZOBUZTSGSA-N 1 1 389.887 2.402 20 0 GEADMO COc1cnc(Cl)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795892 721528030 /nfs/dbraw/zinc/52/80/30/721528030.db2.gz UOAYKLGZMHWWGF-ZOBUZTSGSA-N 1 1 389.887 2.402 20 0 GEADMO COC(=O)c1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164795859 721528138 /nfs/dbraw/zinc/52/81/38/721528138.db2.gz TWCMLLLOAZDZMJ-SVFBPWRDSA-N 1 1 396.491 2.440 20 0 GEADMO CCOC(=O)c1cncc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902625 721531018 /nfs/dbraw/zinc/53/10/18/721531018.db2.gz ARBBREUPIDHSAV-DOTOQJQBSA-N 1 1 386.427 2.134 20 0 GEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164910313 721531335 /nfs/dbraw/zinc/53/13/35/721531335.db2.gz UFWBYUJFIOETLB-DOTOQJQBSA-N 1 1 386.427 2.134 20 0 GEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164806111 721535113 /nfs/dbraw/zinc/53/51/13/721535113.db2.gz NYJCLIJOWFXODV-NSHGMRRFSA-N 1 1 376.464 2.288 20 0 GEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164806111 721535118 /nfs/dbraw/zinc/53/51/18/721535118.db2.gz NYJCLIJOWFXODV-NSHGMRRFSA-N 1 1 376.464 2.288 20 0 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C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(OC(F)F)cn2)[C@H]2CCCO[C@H]12 ZINC001164798184 721564367 /nfs/dbraw/zinc/56/43/67/721564367.db2.gz AOLCKXMIUQFOGB-BBWFWOEESA-N 1 1 391.422 2.341 20 0 GEADMO CCNC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164809430 721576134 /nfs/dbraw/zinc/57/61/34/721576134.db2.gz XEUQBHFRYQDAQF-ZJOUEHCJSA-N 1 1 395.507 2.095 20 0 GEADMO NC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907910 721584869 /nfs/dbraw/zinc/58/48/69/721584869.db2.gz WIDQQKKTLAEINA-IBGZPJMESA-N 1 1 387.434 2.313 20 0 GEADMO COc1ncc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810247 721587312 /nfs/dbraw/zinc/58/73/12/721587312.db2.gz VMHKUEHGJMZUNO-IKGGRYGDSA-N 1 1 389.887 2.402 20 0 GEADMO COc1ncc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810247 721587315 /nfs/dbraw/zinc/58/73/15/721587315.db2.gz VMHKUEHGJMZUNO-IKGGRYGDSA-N 1 1 389.887 2.402 20 0 GEADMO 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Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2c[nH]c3cccc(Br)c23)cn1 ZINC000181443252 532298888 /nfs/dbraw/zinc/29/88/88/532298888.db2.gz LBYRCAKQOBCRQJ-HNNXBMFYSA-N 1 1 388.269 2.451 20 0 GEADMO C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181468662 532299282 /nfs/dbraw/zinc/29/92/82/532299282.db2.gz GGTMJPPFNVHYIW-ZIAGYGMSSA-N 1 1 396.329 2.380 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc(Br)cnc2Cl)cn1 ZINC000181453074 532299533 /nfs/dbraw/zinc/29/95/33/532299533.db2.gz RWVQQUWLPLYGAP-GFCCVEGCSA-N 1 1 384.665 2.018 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000150794799 532301987 /nfs/dbraw/zinc/30/19/87/532301987.db2.gz AGIDYVKDXZDOPJ-RISCZKNCSA-N 1 1 398.301 2.241 20 0 GEADMO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cc(F)c(Cl)cc1Cl ZINC000181644356 532303628 /nfs/dbraw/zinc/30/36/28/532303628.db2.gz FMMZTCPFAYOIKI-VIFPVBQESA-N 1 1 395.287 2.495 20 0 GEADMO CC(C)[C@H]([NH2+][C@H](C)Cn1cc(Br)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000181631906 532303715 /nfs/dbraw/zinc/30/37/15/532303715.db2.gz UHKSHHXQIJKZMS-KOLCDFICSA-N 1 1 395.265 2.189 20 0 GEADMO CC(C)[C@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000181631873 532303837 /nfs/dbraw/zinc/30/38/37/532303837.db2.gz UHKSHHXQIJKZMS-ONGXEEELSA-N 1 1 395.265 2.189 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434394 532324978 /nfs/dbraw/zinc/32/49/78/532324978.db2.gz MLMALGSBYQTOLD-QMMMGPOBSA-N 1 1 377.080 2.288 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(I)cc1 ZINC000185227178 532337217 /nfs/dbraw/zinc/33/72/17/532337217.db2.gz CVUCLRWHNFRQJZ-UHFFFAOYSA-N 1 1 394.278 2.006 20 0 GEADMO Cc1ccc(CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000185337869 532337597 /nfs/dbraw/zinc/33/75/97/532337597.db2.gz QHYXKKHCKIGLCM-OAHLLOKOSA-N 1 1 382.346 2.442 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000185804390 532338706 /nfs/dbraw/zinc/33/87/06/532338706.db2.gz LFUVTCXHRFVWIY-GFCCVEGCSA-N 1 1 391.331 2.420 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000185797128 532338804 /nfs/dbraw/zinc/33/88/04/532338804.db2.gz ASPXVDKXWNABOR-NWDGAFQWSA-N 1 1 388.281 2.185 20 0 GEADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000185930959 532339137 /nfs/dbraw/zinc/33/91/37/532339137.db2.gz DKPAXLNTAQYCIX-DZGCQCFKSA-N 1 1 398.345 2.295 20 0 GEADMO C[C@](O)(CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000185967848 532339276 /nfs/dbraw/zinc/33/92/76/532339276.db2.gz OLZQKIBGFTWPHQ-HNNXBMFYSA-N 1 1 380.794 2.172 20 0 GEADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000186562893 532341172 /nfs/dbraw/zinc/34/11/72/532341172.db2.gz WQEDJTBFZBGFNH-YOEHRIQHSA-N 1 1 389.279 2.219 20 0 GEADMO CC[N@H+]1CCO[C@H](C(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000186562893 532341173 /nfs/dbraw/zinc/34/11/73/532341173.db2.gz WQEDJTBFZBGFNH-YOEHRIQHSA-N 1 1 389.279 2.219 20 0 GEADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000186848304 532342130 /nfs/dbraw/zinc/34/21/30/532342130.db2.gz MWCXHNODJQCOLC-QWHCGFSZSA-N 1 1 387.293 2.292 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)COc1ccccc1Br ZINC000186879787 532342406 /nfs/dbraw/zinc/34/24/06/532342406.db2.gz UZYMFZWCEWTIGO-CYBMUJFWSA-N 1 1 385.302 2.132 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@@H](C)C1 ZINC000186943097 532342621 /nfs/dbraw/zinc/34/26/21/532342621.db2.gz HXNBNQXDTPYYIC-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@@H](C)C1 ZINC000186943097 532342622 /nfs/dbraw/zinc/34/26/22/532342622.db2.gz HXNBNQXDTPYYIC-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO O[C@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187082052 532343124 /nfs/dbraw/zinc/34/31/24/532343124.db2.gz ZOVYJZOODYBDNA-CXAGYDPISA-N 1 1 387.293 2.276 20 0 GEADMO O[C@H](C[N@H+]1CC[C@H](CN2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187082052 532343125 /nfs/dbraw/zinc/34/31/25/532343125.db2.gz ZOVYJZOODYBDNA-CXAGYDPISA-N 1 1 387.293 2.276 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000183671005 532327314 /nfs/dbraw/zinc/32/73/14/532327314.db2.gz LKZCFMPAZVOORT-GHMZBOCLSA-N 1 1 396.285 2.335 20 0 GEADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1SCC(N)=O)c1nccs1 ZINC000183947389 532330240 /nfs/dbraw/zinc/33/02/40/532330240.db2.gz GWBZOLYMSPRUIN-LBPRGKRZSA-N 1 1 378.523 2.395 20 0 GEADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1SCC(N)=O)c1nccs1 ZINC000183947389 532330242 /nfs/dbraw/zinc/33/02/42/532330242.db2.gz GWBZOLYMSPRUIN-LBPRGKRZSA-N 1 1 378.523 2.395 20 0 GEADMO C[C@@H](C[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1nccs1 ZINC000183987497 532330589 /nfs/dbraw/zinc/33/05/89/532330589.db2.gz YTZNTSGMOLPHKE-JTQLQIEISA-N 1 1 378.523 2.466 20 0 GEADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1nccs1 ZINC000183987497 532330591 /nfs/dbraw/zinc/33/05/91/532330591.db2.gz YTZNTSGMOLPHKE-JTQLQIEISA-N 1 1 378.523 2.466 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000184301033 532331633 /nfs/dbraw/zinc/33/16/33/532331633.db2.gz WXDBAYQOUUFJHE-NSHDSACASA-N 1 1 390.272 2.483 20 0 GEADMO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184304352 532331802 /nfs/dbraw/zinc/33/18/02/532331802.db2.gz ARUCHYQPBJAMBH-HNNXBMFYSA-N 1 1 382.346 2.442 20 0 GEADMO C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000184331645 532331926 /nfs/dbraw/zinc/33/19/26/532331926.db2.gz KOITYVKIXLXSNN-IUODEOHRSA-N 1 1 380.432 2.264 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000184330287 532331931 /nfs/dbraw/zinc/33/19/31/532331931.db2.gz NONPPDTURNVLOV-GJZGRUSLSA-N 1 1 380.432 2.407 20 0 GEADMO COc1ccc(Br)c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184376317 532332314 /nfs/dbraw/zinc/33/23/14/532332314.db2.gz RRRRDEBUNUYHOE-CYBMUJFWSA-N 1 1 384.318 2.214 20 0 GEADMO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1nc(C)cs1 ZINC000184372792 532332462 /nfs/dbraw/zinc/33/24/62/532332462.db2.gz URCJVWUVACOUBI-ZDUSSCGKSA-N 1 1 382.511 2.087 20 0 GEADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1nc(C)cs1 ZINC000184388912 532332619 /nfs/dbraw/zinc/33/26/19/532332619.db2.gz IPJZEUYXIYTQIK-ZDUSSCGKSA-N 1 1 382.511 2.087 20 0 GEADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC)C1CC1 ZINC000184669035 532334358 /nfs/dbraw/zinc/33/43/58/532334358.db2.gz LTDJDTIJAPWJDD-UHFFFAOYSA-N 1 1 398.301 2.305 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187823004 532345743 /nfs/dbraw/zinc/34/57/43/532345743.db2.gz HMAPOPMULYPHKO-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187823004 532345744 /nfs/dbraw/zinc/34/57/44/532345744.db2.gz HMAPOPMULYPHKO-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000187821746 532345826 /nfs/dbraw/zinc/34/58/26/532345826.db2.gz QLZZEFVNWSBORQ-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000187821746 532345827 /nfs/dbraw/zinc/34/58/27/532345827.db2.gz QLZZEFVNWSBORQ-NSHDSACASA-N 1 1 388.295 2.236 20 0 GEADMO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000187938233 532346135 /nfs/dbraw/zinc/34/61/35/532346135.db2.gz XMKLENBUVCSYOX-PXAZEXFGSA-N 1 1 390.311 2.437 20 0 GEADMO COc1ccc(Br)c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188652130 532348864 /nfs/dbraw/zinc/34/88/64/532348864.db2.gz XKSCYLRCLHJPCE-GFCCVEGCSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC[N@@H+]1CCO ZINC000188734686 532349414 /nfs/dbraw/zinc/34/94/14/532349414.db2.gz HOVWMALJHKXUHM-LBPRGKRZSA-N 1 1 383.279 2.318 20 0 GEADMO C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC[N@H+]1CCO ZINC000188734686 532349415 /nfs/dbraw/zinc/34/94/15/532349415.db2.gz HOVWMALJHKXUHM-LBPRGKRZSA-N 1 1 383.279 2.318 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1Br ZINC000188752716 532349575 /nfs/dbraw/zinc/34/95/75/532349575.db2.gz ZSRZAVGEBNROAH-UHFFFAOYSA-N 1 1 386.290 2.243 20 0 GEADMO COCc1c(Br)cccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188812878 532349739 /nfs/dbraw/zinc/34/97/39/532349739.db2.gz RPBXJOLCKOCFLE-LBPRGKRZSA-N 1 1 386.290 2.126 20 0 GEADMO COCc1c(Br)cccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188812878 532349740 /nfs/dbraw/zinc/34/97/40/532349740.db2.gz RPBXJOLCKOCFLE-LBPRGKRZSA-N 1 1 386.290 2.126 20 0 GEADMO Cc1sc2ncnc(SCC(=O)NCC[N@@H+]3CCCOCC3)c2c1C ZINC000189448934 532352224 /nfs/dbraw/zinc/35/22/24/532352224.db2.gz HSWVAHGCVBBHAY-UHFFFAOYSA-N 1 1 380.539 2.239 20 0 GEADMO Cc1sc2ncnc(SCC(=O)NCC[N@H+]3CCCOCC3)c2c1C ZINC000189448934 532352225 /nfs/dbraw/zinc/35/22/25/532352225.db2.gz HSWVAHGCVBBHAY-UHFFFAOYSA-N 1 1 380.539 2.239 20 0 GEADMO Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000189520465 532352479 /nfs/dbraw/zinc/35/24/79/532352479.db2.gz XSKXXNHDGKADEQ-CQSZACIVSA-N 1 1 380.330 2.278 20 0 GEADMO COCCO[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000189675003 532353136 /nfs/dbraw/zinc/35/31/36/532353136.db2.gz XQPXXMVIJXYPSQ-CJNGLKHVSA-N 1 1 385.302 2.364 20 0 GEADMO COCCO[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000189675003 532353137 /nfs/dbraw/zinc/35/31/37/532353137.db2.gz XQPXXMVIJXYPSQ-CJNGLKHVSA-N 1 1 385.302 2.364 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000189699425 532353260 /nfs/dbraw/zinc/35/32/60/532353260.db2.gz GUKKJSAZSLENBK-UONOGXRCSA-N 1 1 385.302 2.050 20 0 GEADMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000189682992 532353354 /nfs/dbraw/zinc/35/33/54/532353354.db2.gz RCHVEHIARZBPMC-OAHLLOKOSA-N 1 1 388.249 2.467 20 0 GEADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000190085321 532354735 /nfs/dbraw/zinc/35/47/35/532354735.db2.gz DYNPIEYPQUMOLZ-CMPLNLGQSA-N 1 1 384.249 2.222 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000190076254 532354818 /nfs/dbraw/zinc/35/48/18/532354818.db2.gz GCZBMFVIVBXGEP-ZYHUDNBSSA-N 1 1 384.249 2.222 20 0 GEADMO C[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354937 532355781 /nfs/dbraw/zinc/35/57/81/532355781.db2.gz BFUMHFWLIAQNBV-RYUDHWBXSA-N 1 1 390.311 2.285 20 0 GEADMO C[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000190354937 532355782 /nfs/dbraw/zinc/35/57/82/532355782.db2.gz BFUMHFWLIAQNBV-RYUDHWBXSA-N 1 1 390.311 2.285 20 0 GEADMO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000190482437 532356224 /nfs/dbraw/zinc/35/62/24/532356224.db2.gz BNOIMDYFJJPZEM-CQDKDKBSSA-N 1 1 380.432 2.405 20 0 GEADMO Cc1nnsc1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000190488559 532356363 /nfs/dbraw/zinc/35/63/63/532356363.db2.gz XFAVPLWHZSQLSQ-UHFFFAOYSA-N 1 1 379.917 2.442 20 0 GEADMO C[C@H](O)C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)CO ZINC000190836839 532358293 /nfs/dbraw/zinc/35/82/93/532358293.db2.gz JPEIXLMQOVRQEU-STQMWFEESA-N 1 1 380.286 2.470 20 0 GEADMO C[C@H](O)C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H](C)CO ZINC000190866128 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O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000376397161 532611821 /nfs/dbraw/zinc/61/18/21/532611821.db2.gz SOJYJGXIZZDKGR-VXGBXAGGSA-N 1 1 394.871 2.228 20 0 GEADMO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000566494018 532612180 /nfs/dbraw/zinc/61/21/80/532612180.db2.gz ZBFSZSBVPNXREP-HNNXBMFYSA-N 1 1 386.945 2.397 20 0 GEADMO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000566494018 532612184 /nfs/dbraw/zinc/61/21/84/532612184.db2.gz ZBFSZSBVPNXREP-HNNXBMFYSA-N 1 1 386.945 2.397 20 0 GEADMO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000632539419 532623271 /nfs/dbraw/zinc/62/32/71/532623271.db2.gz HJIVSKHVUBDZEE-PWSUYJOCSA-N 1 1 394.360 2.342 20 0 GEADMO C[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CSCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000376662458 532623428 /nfs/dbraw/zinc/62/34/28/532623428.db2.gz XOWYAGHYVFBJBL-NEPJUHHUSA-N 1 1 382.555 2.108 20 0 GEADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000298064130 532623711 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/nfs/dbraw/zinc/69/36/15/532693615.db2.gz BFLGTHPCOJZNSK-MAZHCROVSA-N 1 1 383.286 2.148 20 0 GEADMO C[C@@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C[N@H+]1C ZINC000439441937 532694304 /nfs/dbraw/zinc/69/43/04/532694304.db2.gz TVVXUEFOBPQSLU-TYNCELHUSA-N 1 1 375.282 2.352 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)CN1C ZINC000439441937 532694310 /nfs/dbraw/zinc/69/43/10/532694310.db2.gz TVVXUEFOBPQSLU-TYNCELHUSA-N 1 1 375.282 2.352 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)CN1C ZINC000439441937 532694315 /nfs/dbraw/zinc/69/43/15/532694315.db2.gz TVVXUEFOBPQSLU-TYNCELHUSA-N 1 1 375.282 2.352 20 0 GEADMO CC(C)Oc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC000640441847 532694524 /nfs/dbraw/zinc/69/45/24/532694524.db2.gz IGKMZOOYVSHSPA-CYBMUJFWSA-N 1 1 386.290 2.424 20 0 GEADMO NC(=O)[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1F ZINC000439545013 532695329 /nfs/dbraw/zinc/69/53/29/532695329.db2.gz USAHOUYGTJDPIJ-OAHLLOKOSA-N 1 1 398.276 2.105 20 0 GEADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000265429505 532696965 /nfs/dbraw/zinc/69/69/65/532696965.db2.gz FHLULSQOOCTDDU-XZJROXQQSA-N 1 1 393.336 2.142 20 0 GEADMO Cc1[nH+]ccn1CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000299135244 532697584 /nfs/dbraw/zinc/69/75/84/532697584.db2.gz WNXFFHKIZNQHPF-UHFFFAOYSA-N 1 1 394.269 2.474 20 0 GEADMO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccnc1Cl ZINC000265909523 532699616 /nfs/dbraw/zinc/69/96/16/532699616.db2.gz HGFIHCGMFHWYLK-GHMZBOCLSA-N 1 1 382.873 2.060 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000604389200 532699868 /nfs/dbraw/zinc/69/98/68/532699868.db2.gz VLIGPQWYZDMLHU-OAHLLOKOSA-N 1 1 396.329 2.390 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000604411272 532700176 /nfs/dbraw/zinc/70/01/76/532700176.db2.gz MBBSVQDZUHUQED-WMZOPIPTSA-N 1 1 375.579 2.222 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000604408226 532700902 /nfs/dbraw/zinc/70/09/02/532700902.db2.gz FRPXVVUHNPOXLA-OAHLLOKOSA-N 1 1 392.352 2.394 20 0 GEADMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)[C@H]2C1 ZINC000285704862 532700873 /nfs/dbraw/zinc/70/08/73/532700873.db2.gz IYJSSEQTWQZSBY-LSDHHAIUSA-N 1 1 383.279 2.115 20 0 GEADMO C[C@H](c1ccncc1)[NH+]1CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638788648 532686971 /nfs/dbraw/zinc/68/69/71/532686971.db2.gz OBPORXUDQQHOBZ-CYBMUJFWSA-N 1 1 380.539 2.106 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000568992434 532687350 /nfs/dbraw/zinc/68/73/50/532687350.db2.gz JMCZJMJQZMQFNF-UHFFFAOYSA-N 1 1 389.327 2.274 20 0 GEADMO CN(CCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl)CC[NH+](C)C ZINC000568992434 532687355 /nfs/dbraw/zinc/68/73/55/532687355.db2.gz JMCZJMJQZMQFNF-UHFFFAOYSA-N 1 1 389.327 2.274 20 0 GEADMO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CC[C@H](O)CC1 ZINC000439268048 532688338 /nfs/dbraw/zinc/68/83/38/532688338.db2.gz SPTXABIBDDGAGA-HDJSIYSDSA-N 1 1 376.316 2.458 20 0 GEADMO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CC[C@H](O)CC1 ZINC000439268048 532688342 /nfs/dbraw/zinc/68/83/42/532688342.db2.gz SPTXABIBDDGAGA-HDJSIYSDSA-N 1 1 376.316 2.458 20 0 GEADMO Cn1ncc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(Br)c1=O ZINC000664364882 532690382 /nfs/dbraw/zinc/69/03/82/532690382.db2.gz UNHLJICVQBSLML-OAHLLOKOSA-N 1 1 391.313 2.296 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCSC[C@H]1CCO ZINC000537108840 532704145 /nfs/dbraw/zinc/70/41/45/532704145.db2.gz LYZKEXAKERQNDJ-HZPDHXFCSA-N 1 1 383.583 2.470 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc(Br)ccc2=O)C[C@H]1C ZINC000607121513 532704375 /nfs/dbraw/zinc/70/43/75/532704375.db2.gz LQWOYCQIFFFXOE-UKRRQHHQSA-N 1 1 384.318 2.332 20 0 GEADMO COCC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCO[C@@H]1C ZINC000489488965 532706864 /nfs/dbraw/zinc/70/68/64/532706864.db2.gz VJCPTJBQKYQNDY-KMFMINBZSA-N 1 1 388.302 2.315 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000266218279 532707750 /nfs/dbraw/zinc/70/77/50/532707750.db2.gz LBXCEXHVWPHWJE-RYUDHWBXSA-N 1 1 385.295 2.097 20 0 GEADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489577759 532709304 /nfs/dbraw/zinc/70/93/04/532709304.db2.gz ANOUHALDDHODMX-KOLCDFICSA-N 1 1 382.379 2.485 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489577759 532709310 /nfs/dbraw/zinc/70/93/10/532709310.db2.gz ANOUHALDDHODMX-KOLCDFICSA-N 1 1 382.379 2.485 20 0 GEADMO COCCN(Cc1sccc1Br)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573251473 532710805 /nfs/dbraw/zinc/71/08/05/532710805.db2.gz NXHBWGUCVHVRDG-CYBMUJFWSA-N 1 1 377.348 2.414 20 0 GEADMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000395235259 532711628 /nfs/dbraw/zinc/71/16/28/532711628.db2.gz WYUFGWQWUADPTK-RISCZKNCSA-N 1 1 388.249 2.323 20 0 GEADMO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000396084802 532712030 /nfs/dbraw/zinc/71/20/30/532712030.db2.gz WXIKMXHVDNHHMK-UHFFFAOYSA-N 1 1 377.304 2.220 20 0 GEADMO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608073821 532712158 /nfs/dbraw/zinc/71/21/58/532712158.db2.gz HDJXGVVHAFUVBC-IAQYHMDHSA-N 1 1 393.285 2.475 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000538675828 532714149 /nfs/dbraw/zinc/71/41/49/532714149.db2.gz RDNVOEVVRXBFJK-GFCCVEGCSA-N 1 1 381.420 2.033 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CSCc2ccc(Cl)cc2)C1 ZINC000608867252 532715564 /nfs/dbraw/zinc/71/55/64/532715564.db2.gz LNLGTUUUNLCGQH-HNNXBMFYSA-N 1 1 383.945 2.277 20 0 GEADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000440517278 532715725 /nfs/dbraw/zinc/71/57/25/532715725.db2.gz SDFOGQOJXBWEQI-SFHVURJKSA-N 1 1 390.281 2.211 20 0 GEADMO C[N@@H+](CCCO)C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000285873235 532715771 /nfs/dbraw/zinc/71/57/71/532715771.db2.gz VZXPVWNKXSCJKF-UHFFFAOYSA-N 1 1 395.301 2.016 20 0 GEADMO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br ZINC000408300112 532716140 /nfs/dbraw/zinc/71/61/40/532716140.db2.gz XTOYDYVQRZFKFW-UONOGXRCSA-N 1 1 389.315 2.363 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000299467385 532718462 /nfs/dbraw/zinc/71/84/62/532718462.db2.gz XZPPWXULZWEVDA-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC[C@@H]21 ZINC000299449950 532716469 /nfs/dbraw/zinc/71/64/69/532716469.db2.gz ZAJIAKAAHNVNLH-YGRLFVJLSA-N 1 1 385.295 2.457 20 0 GEADMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000408300110 532716402 /nfs/dbraw/zinc/71/64/02/532716402.db2.gz XTOYDYVQRZFKFW-KGLIPLIRSA-N 1 1 389.315 2.363 20 0 GEADMO CN(C)CC[NH+]1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000299431549 532716727 /nfs/dbraw/zinc/71/67/27/532716727.db2.gz MTAORZDDWVEDFB-UHFFFAOYSA-N 1 1 397.361 2.317 20 0 GEADMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2C)cc(I)c1OC ZINC000538730048 532717253 /nfs/dbraw/zinc/71/72/53/532717253.db2.gz AMRRDGQPWIHSNP-NSHDSACASA-N 1 1 390.265 2.444 20 0 GEADMO O=C1[C@@H](N2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000575326132 532720467 /nfs/dbraw/zinc/72/04/67/532720467.db2.gz AFTHLAYYNJUQOD-HNNXBMFYSA-N 1 1 390.285 2.100 20 0 GEADMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000576143122 532724975 /nfs/dbraw/zinc/72/49/75/532724975.db2.gz MTRILDNPAOOKKO-GYCJOSAFSA-N 1 1 386.583 2.176 20 0 GEADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)CC2)cs1 ZINC000266800718 532725821 /nfs/dbraw/zinc/72/58/21/532725821.db2.gz AQNXLYHXMBQHDM-HNNXBMFYSA-N 1 1 377.432 2.189 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000299545638 532726005 /nfs/dbraw/zinc/72/60/05/532726005.db2.gz ASZZCYAMFIGOGF-HIFRSBDPSA-N 1 1 396.285 2.139 20 0 GEADMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266848435 532727194 /nfs/dbraw/zinc/72/71/94/532727194.db2.gz BKKWDGLIZYDBRQ-UHFFFAOYSA-N 1 1 387.311 2.204 20 0 GEADMO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(Br)c1F ZINC000576202447 532727418 /nfs/dbraw/zinc/72/74/18/532727418.db2.gz AZDJQFXMQDYAJB-VIFPVBQESA-N 1 1 388.237 2.448 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000299571096 532727597 /nfs/dbraw/zinc/72/75/97/532727597.db2.gz UCRJODZDNVBNCF-TZMCWYRMSA-N 1 1 395.301 2.115 20 0 GEADMO CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1nc(C(F)(F)F)cs1 ZINC000266847281 532727618 /nfs/dbraw/zinc/72/76/18/532727618.db2.gz PSRRNTXRFHDZHE-QWRGUYRKSA-N 1 1 379.452 2.158 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000539319479 532727883 /nfs/dbraw/zinc/72/78/83/532727883.db2.gz JYLPDOPCGWRKEQ-AWEZNQCLSA-N 1 1 375.556 2.171 20 0 GEADMO CS[C@H]1CN(c2c(Br)cccc2S(C)(=O)=O)C[C@@H]1[NH+](C)C ZINC000286099816 532729136 /nfs/dbraw/zinc/72/91/36/532729136.db2.gz CWUVQCCLRLHARQ-RYUDHWBXSA-N 1 1 393.372 2.334 20 0 GEADMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000576766691 532729125 /nfs/dbraw/zinc/72/91/25/532729125.db2.gz UIZZLIXVTUFKSY-CYBMUJFWSA-N 1 1 385.917 2.405 20 0 GEADMO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000442279397 532730666 /nfs/dbraw/zinc/73/06/66/532730666.db2.gz XRKZPTIHCFFVSG-VXGBXAGGSA-N 1 1 398.301 2.085 20 0 GEADMO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000442279397 532730670 /nfs/dbraw/zinc/73/06/70/532730670.db2.gz XRKZPTIHCFFVSG-VXGBXAGGSA-N 1 1 398.301 2.085 20 0 GEADMO C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000299467385 532718469 /nfs/dbraw/zinc/71/84/69/532718469.db2.gz XZPPWXULZWEVDA-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000299467385 532718475 /nfs/dbraw/zinc/71/84/75/532718475.db2.gz XZPPWXULZWEVDA-UONOGXRCSA-N 1 1 384.318 2.165 20 0 GEADMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000575228444 532718785 /nfs/dbraw/zinc/71/87/85/532718785.db2.gz FSEWCVLIVAPEBR-UHFFFAOYSA-N 1 1 381.318 2.225 20 0 GEADMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614613877 532743303 /nfs/dbraw/zinc/74/33/03/532743303.db2.gz YDKFZIAINQRBMM-UHFFFAOYSA-N 1 1 377.913 2.126 20 0 GEADMO O=S(=O)(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000443234314 532743428 /nfs/dbraw/zinc/74/34/28/532743428.db2.gz FUDRGGVIGNEWTD-SFHVURJKSA-N 1 1 380.897 2.255 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C)c2Br)C1 ZINC000676415181 532743799 /nfs/dbraw/zinc/74/37/99/532743799.db2.gz HWELPHZCJQCEOC-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C)c2Br)C1 ZINC000676415181 532743805 /nfs/dbraw/zinc/74/38/05/532743805.db2.gz HWELPHZCJQCEOC-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO Cn1c(NCCNS(=O)(=O)c2cccc(Cl)c2)[nH+]c2cccc(F)c21 ZINC000443512657 532748011 /nfs/dbraw/zinc/74/80/11/532748011.db2.gz VGGIXIYFYGVDHE-UHFFFAOYSA-N 1 1 382.848 2.756 20 0 GEADMO C[C@H]1C[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503342086 532746062 /nfs/dbraw/zinc/74/60/62/532746062.db2.gz FLOGWERUGNHVLW-LBPRGKRZSA-N 1 1 384.261 2.485 20 0 GEADMO C[C@H]1C[N@@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503342086 532746065 /nfs/dbraw/zinc/74/60/65/532746065.db2.gz FLOGWERUGNHVLW-LBPRGKRZSA-N 1 1 384.261 2.485 20 0 GEADMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)[nH]1 ZINC000540864742 532746521 /nfs/dbraw/zinc/74/65/21/532746521.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864742 532746525 /nfs/dbraw/zinc/74/65/25/532746525.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000540864742 532746526 /nfs/dbraw/zinc/74/65/26/532746526.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864742 532746530 /nfs/dbraw/zinc/74/65/30/532746530.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 1 395.301 2.495 20 0 GEADMO Cc1nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n[nH]1 ZINC000540864742 532746531 /nfs/dbraw/zinc/74/65/31/532746531.db2.gz PFHJSTANGRNBJV-UKRRQHHQSA-N 1 1 395.301 2.495 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)NCCc2cc(Br)ccc2F)n1C ZINC000267597738 532746843 /nfs/dbraw/zinc/74/68/43/532746843.db2.gz LDAFPJZNSLLPHD-UHFFFAOYSA-N 1 1 398.280 2.430 20 0 GEADMO COc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000673885458 532733976 /nfs/dbraw/zinc/73/39/76/532733976.db2.gz GJPIMFFSRVVFGW-OAHLLOKOSA-N 1 1 383.286 2.327 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Br ZINC000500706199 532734637 /nfs/dbraw/zinc/73/46/37/532734637.db2.gz ATTREQYKLYAUMF-QWRGUYRKSA-N 1 1 386.265 2.386 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Br ZINC000500706199 532734641 /nfs/dbraw/zinc/73/46/41/532734641.db2.gz ATTREQYKLYAUMF-QWRGUYRKSA-N 1 1 386.265 2.386 20 0 GEADMO CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H](C)CS(=O)(=O)CC ZINC000500788227 532735409 /nfs/dbraw/zinc/73/54/09/532735409.db2.gz ZBNINAWBIRGOFP-IAGOWNOFSA-N 1 1 375.579 2.496 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2c(Br)cccc2cn1 ZINC000614503622 532738180 /nfs/dbraw/zinc/73/81/80/532738180.db2.gz NLZCQEIJUSWRIQ-CQSZACIVSA-N 1 1 389.297 2.117 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502736 532738590 /nfs/dbraw/zinc/73/85/90/532738590.db2.gz MBKXQBCRUCPGDC-LBPRGKRZSA-N 1 1 377.286 2.050 20 0 GEADMO Cc1ccc(CCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(Br)c1 ZINC000614504467 532739277 /nfs/dbraw/zinc/73/92/77/532739277.db2.gz WIQPNVJNVZJVDH-MRXNPFEDSA-N 1 1 380.330 2.196 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(I)ccc1O ZINC000300412277 532739433 /nfs/dbraw/zinc/73/94/33/532739433.db2.gz NIGZBXVJDCLFPV-CHWSQXEVSA-N 1 1 386.233 2.353 20 0 GEADMO NS(=O)(=O)c1cnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000301120542 532740240 /nfs/dbraw/zinc/74/02/40/532740240.db2.gz QNQHITAHPQDWDL-UHFFFAOYSA-N 1 1 386.930 2.156 20 0 GEADMO NS(=O)(=O)c1cnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000301120542 532740244 /nfs/dbraw/zinc/74/02/44/532740244.db2.gz QNQHITAHPQDWDL-UHFFFAOYSA-N 1 1 386.930 2.156 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301113377 532740404 /nfs/dbraw/zinc/74/04/04/532740404.db2.gz NVPOWXJZWYQPRC-CYBMUJFWSA-N 1 1 376.810 2.497 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000502816517 532740797 /nfs/dbraw/zinc/74/07/97/532740797.db2.gz YSBUGKSVRVOUDU-LBPRGKRZSA-N 1 1 398.301 2.456 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000268072447 532754569 /nfs/dbraw/zinc/75/45/69/532754569.db2.gz WRRBEDKSXWDOGD-BFQNTYOBSA-N 1 1 390.311 2.435 20 0 GEADMO C[C@@H](C(=O)N[C@@H]1CSCc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000618360937 532756127 /nfs/dbraw/zinc/75/61/27/532756127.db2.gz BKLUTNMEIZMWOK-BLLLJJGKSA-N 1 1 398.370 2.489 20 0 GEADMO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000541651891 532757221 /nfs/dbraw/zinc/75/72/21/532757221.db2.gz BJPJVZUZFPHHMT-ZDUSSCGKSA-N 1 1 378.523 2.148 20 0 GEADMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000618659114 532757413 /nfs/dbraw/zinc/75/74/13/532757413.db2.gz DHKNOTJLYNAJKS-GFCCVEGCSA-N 1 1 393.289 2.024 20 0 GEADMO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661515 532757652 /nfs/dbraw/zinc/75/76/52/532757652.db2.gz RJLDCTSUWWKAEB-CYBMUJFWSA-N 1 1 385.555 2.135 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447798218 532758475 /nfs/dbraw/zinc/75/84/75/532758475.db2.gz TXUVDRSYLYASEM-GXFFZTMASA-N 1 1 388.249 2.321 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447798218 532758478 /nfs/dbraw/zinc/75/84/78/532758478.db2.gz TXUVDRSYLYASEM-GXFFZTMASA-N 1 1 388.249 2.321 20 0 GEADMO C[C@](O)(CNc1ccc2cc(Br)ccc2n1)C[NH+]1CCOCC1 ZINC000301769694 532758959 /nfs/dbraw/zinc/75/89/59/532758959.db2.gz OWEOCQQOANYERP-KRWDZBQOSA-N 1 1 380.286 2.492 20 0 GEADMO C[C@](O)(CNc1ccnc2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301769641 532759030 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2.326 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CCN(c3cncc(Br)c3)CC2)CC1 ZINC000301390339 532749573 /nfs/dbraw/zinc/74/95/73/532749573.db2.gz GGUMLAQKMIPXTC-UHFFFAOYSA-N 1 1 381.318 2.225 20 0 GEADMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(I)cc1 ZINC000504628590 532749910 /nfs/dbraw/zinc/74/99/10/532749910.db2.gz LFUFGUZEBJORMH-UHFFFAOYSA-N 1 1 391.253 2.381 20 0 GEADMO CSc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000411212664 532750212 /nfs/dbraw/zinc/75/02/12/532750212.db2.gz LEQFTWQEUPEQRV-MRXNPFEDSA-N 1 1 379.551 2.423 20 0 GEADMO CSc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000411212663 532750560 /nfs/dbraw/zinc/75/05/60/532750560.db2.gz LEQFTWQEUPEQRV-INIZCTEOSA-N 1 1 379.551 2.423 20 0 GEADMO O=S(=O)(c1c[nH]c2ncccc12)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301556264 532752938 /nfs/dbraw/zinc/75/29/38/532752938.db2.gz ZSRPFJWHNAPFRS-UHFFFAOYSA-N 1 1 377.857 2.122 20 0 GEADMO O=C(COc1cccc(I)c1)NCC[N@@H+]1CC=CCC1 ZINC000506767959 532753907 /nfs/dbraw/zinc/75/39/07/532753907.db2.gz SPNCCGUUGRAWMY-UHFFFAOYSA-N 1 1 386.233 2.048 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000411758676 532774987 /nfs/dbraw/zinc/77/49/87/532774987.db2.gz NWIKTMYDWSHEJO-HZPDHXFCSA-N 1 1 387.567 2.437 20 0 GEADMO CSc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000411758676 532774991 /nfs/dbraw/zinc/77/49/91/532774991.db2.gz NWIKTMYDWSHEJO-HZPDHXFCSA-N 1 1 387.567 2.437 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302833412 532775233 /nfs/dbraw/zinc/77/52/33/532775233.db2.gz SIRAIQFTKODZKM-ZDUSSCGKSA-N 1 1 387.709 2.240 20 0 GEADMO COc1cc(NC(=O)CC[N@H+]2CC[C@](O)(C(F)F)C2)c(OC)cc1Cl ZINC000411796053 532775603 /nfs/dbraw/zinc/77/56/03/532775603.db2.gz KLRGYQIABSUCFA-MRXNPFEDSA-N 1 1 378.803 2.388 20 0 GEADMO COCC(COC)[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000411860466 532777310 /nfs/dbraw/zinc/77/73/10/532777310.db2.gz LVMNGSWJBDRKDE-UHFFFAOYSA-N 1 1 390.311 2.211 20 0 GEADMO CC[C@H](CSC)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000286999281 532778165 /nfs/dbraw/zinc/77/81/65/532778165.db2.gz IOOVIBLTPYVLHU-HUUCEWRRSA-N 1 1 383.583 2.334 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000454005915 532779259 /nfs/dbraw/zinc/77/92/59/532779259.db2.gz UEOCMQNQDVLRDG-LLVKDONJSA-N 1 1 386.265 2.469 20 0 GEADMO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620484663 532763523 /nfs/dbraw/zinc/76/35/23/532763523.db2.gz MNIHDHCCRWMDIX-UKRRQHHQSA-N 1 1 397.313 2.274 20 0 GEADMO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508757184 532764799 /nfs/dbraw/zinc/76/47/99/532764799.db2.gz WRPXVAKCGUUDLU-UHFFFAOYSA-N 1 1 391.273 2.488 20 0 GEADMO CCc1cc(N2CCN(c3ncc(Br)c(OC)n3)CC2)nc(C)[nH+]1 ZINC000302105826 532765697 /nfs/dbraw/zinc/76/56/97/532765697.db2.gz RXNGWLFTMNPVFI-UHFFFAOYSA-N 1 1 393.289 2.235 20 0 GEADMO CSc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000509375828 532767426 /nfs/dbraw/zinc/76/74/26/532767426.db2.gz MKHHTHNOIAWIQS-INIZCTEOSA-N 1 1 383.583 2.199 20 0 GEADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000411628388 532770667 /nfs/dbraw/zinc/77/06/67/532770667.db2.gz TZOJUBSRVJUGFL-QGZVFWFLSA-N 1 1 390.933 2.091 20 0 GEADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000411628388 532770668 /nfs/dbraw/zinc/77/06/68/532770668.db2.gz TZOJUBSRVJUGFL-QGZVFWFLSA-N 1 1 390.933 2.091 20 0 GEADMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC(F)(F)C(F)(F)C2)ccc1Cl ZINC000411622230 532770691 /nfs/dbraw/zinc/77/06/91/532770691.db2.gz PQSKLVWNOMABLW-UHFFFAOYSA-N 1 1 381.757 2.453 20 0 GEADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000509448656 532771087 /nfs/dbraw/zinc/77/10/87/532771087.db2.gz LLRSTYIICBAYGO-GJZGRUSLSA-N 1 1 398.345 2.311 20 0 GEADMO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302649300 532772645 /nfs/dbraw/zinc/77/26/45/532772645.db2.gz JNWCRIARVHMVQP-UHFFFAOYSA-N 1 1 380.901 2.113 20 0 GEADMO CNS(=O)(=O)c1ccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302649300 532772650 /nfs/dbraw/zinc/77/26/50/532772650.db2.gz JNWCRIARVHMVQP-UHFFFAOYSA-N 1 1 380.901 2.113 20 0 GEADMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(=O)NCC(F)(F)F ZINC000411761303 532774588 /nfs/dbraw/zinc/77/45/88/532774588.db2.gz VAHRIKVUGBYHSI-CPCISQLKSA-N 1 1 387.171 2.278 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@H](C)C1 ZINC000287078796 532782789 /nfs/dbraw/zinc/78/27/89/532782789.db2.gz IHFFACKGHJLBSQ-MNOVXSKESA-N 1 1 376.320 2.107 20 0 GEADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000269582266 532783552 /nfs/dbraw/zinc/78/35/52/532783552.db2.gz QGXDSSAZUBKLTR-UHFFFAOYSA-N 1 1 375.281 2.238 20 0 GEADMO COC(=O)[C@H]1CSCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000412078765 532784188 /nfs/dbraw/zinc/78/41/88/532784188.db2.gz OOFZQLMSQRNURR-KGLIPLIRSA-N 1 1 377.428 2.447 20 0 GEADMO OC[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1O ZINC000412095075 532785039 /nfs/dbraw/zinc/78/50/39/532785039.db2.gz FHRXGFOPURHVBB-XJKSGUPXSA-N 1 1 378.270 2.081 20 0 GEADMO 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532858575 /nfs/dbraw/zinc/85/85/75/532858575.db2.gz NUIVZUUXQUMJDL-KGLIPLIRSA-N 1 1 384.318 2.238 20 0 GEADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C2 ZINC000289615015 532860383 /nfs/dbraw/zinc/86/03/83/532860383.db2.gz YQAWBNWFFPPGJM-NSHDSACASA-N 1 1 382.873 2.418 20 0 GEADMO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000274972281 532860992 /nfs/dbraw/zinc/86/09/92/532860992.db2.gz CMGJIJZSVLBFSX-AWEZNQCLSA-N 1 1 393.329 2.490 20 0 GEADMO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000274972281 532860994 /nfs/dbraw/zinc/86/09/94/532860994.db2.gz CMGJIJZSVLBFSX-AWEZNQCLSA-N 1 1 393.329 2.490 20 0 GEADMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289635015 532861939 /nfs/dbraw/zinc/86/19/39/532861939.db2.gz MEFWMNHYUNUTKO-YVEFUNNKSA-N 1 1 396.285 2.410 20 0 GEADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289671454 532862848 /nfs/dbraw/zinc/86/28/48/532862848.db2.gz NPARPDKTSXQLPM-GUYCJALGSA-N 1 1 396.285 2.410 20 0 GEADMO COc1ccc(Br)cc1C1(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000416118339 532864548 /nfs/dbraw/zinc/86/45/48/532864548.db2.gz BFWJRTKKVAKSOA-UHFFFAOYSA-N 1 1 397.313 2.328 20 0 GEADMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000289796625 532865103 /nfs/dbraw/zinc/86/51/03/532865103.db2.gz YYRMFPWEIRMXMM-UHFFFAOYSA-N 1 1 383.901 2.295 20 0 GEADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccnn3-c3ccc(Br)cn3)C[C@@H]21 ZINC000333198786 532865968 /nfs/dbraw/zinc/86/59/68/532865968.db2.gz QHJMMCIHUZUJQO-YPMHNXCESA-N 1 1 391.273 2.198 20 0 GEADMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000289854762 532866756 /nfs/dbraw/zinc/86/67/56/532866756.db2.gz MOSZGAJEYQDQIX-GFCCVEGCSA-N 1 1 376.906 2.462 20 0 GEADMO CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000275164098 532866992 /nfs/dbraw/zinc/86/69/92/532866992.db2.gz VJGZZHLKDWCUCT-DLBZAZTESA-N 1 1 382.551 2.132 20 0 GEADMO O=C(Nc1cc(Br)ccn1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333353966 532867578 /nfs/dbraw/zinc/86/75/78/532867578.db2.gz RUDUQCRKKYBXTO-UHFFFAOYSA-N 1 1 382.306 2.182 20 0 GEADMO O=S1(=O)CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000289939752 532868432 /nfs/dbraw/zinc/86/84/32/532868432.db2.gz BCAKOZCGDBZJFN-LLVKDONJSA-N 1 1 389.308 2.489 20 0 GEADMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cnccc2C)C1 ZINC000333452202 532868681 /nfs/dbraw/zinc/86/86/81/532868681.db2.gz RZRWFEPLLLHZDH-HNNXBMFYSA-N 1 1 380.539 2.298 20 0 GEADMO COc1ccc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Br ZINC000416285845 532869405 /nfs/dbraw/zinc/86/94/05/532869405.db2.gz AGCCAWPGAPSAIF-KGLIPLIRSA-N 1 1 399.329 2.304 20 0 GEADMO CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccnc4c(Br)cccc34)C2)C1=O ZINC000333503276 532869848 /nfs/dbraw/zinc/86/98/48/532869848.db2.gz CWVAHOVASSYJBT-QGZVFWFLSA-N 1 1 389.253 2.123 20 0 GEADMO CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccnc4c(Br)cccc34)C2)C1=O ZINC000333503276 532869849 /nfs/dbraw/zinc/86/98/49/532869849.db2.gz CWVAHOVASSYJBT-QGZVFWFLSA-N 1 1 389.253 2.123 20 0 GEADMO Cc1ccc(OCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416286001 532869741 /nfs/dbraw/zinc/86/97/41/532869741.db2.gz AKGUQZJWGBSXQT-GJZGRUSLSA-N 1 1 399.329 2.440 20 0 GEADMO COc1ccc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1Br ZINC000416285847 532869819 /nfs/dbraw/zinc/86/98/19/532869819.db2.gz AGCCAWPGAPSAIF-ZIAGYGMSSA-N 1 1 399.329 2.304 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSc1cccc(Br)c1 ZINC000416316063 532870072 /nfs/dbraw/zinc/87/00/72/532870072.db2.gz VQHYOZOTYGINGM-QWHCGFSZSA-N 1 1 387.343 2.455 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSc1cccc(Br)c1 ZINC000416316063 532870075 /nfs/dbraw/zinc/87/00/75/532870075.db2.gz VQHYOZOTYGINGM-QWHCGFSZSA-N 1 1 387.343 2.455 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416306126 532870606 /nfs/dbraw/zinc/87/06/06/532870606.db2.gz JNBDFMQSMQUIST-CHWSQXEVSA-N 1 1 385.302 2.293 20 0 GEADMO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416306126 532870608 /nfs/dbraw/zinc/87/06/08/532870608.db2.gz JNBDFMQSMQUIST-CHWSQXEVSA-N 1 1 385.302 2.293 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416305037 532870358 /nfs/dbraw/zinc/87/03/58/532870358.db2.gz ZYYSHYXSEJZGQH-MCIONIFRSA-N 1 1 385.302 2.130 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416305037 532870360 /nfs/dbraw/zinc/87/03/60/532870360.db2.gz ZYYSHYXSEJZGQH-MCIONIFRSA-N 1 1 385.302 2.130 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000275284546 532870984 /nfs/dbraw/zinc/87/09/84/532870984.db2.gz KRKGUHFOASSBJY-ZDUSSCGKSA-N 1 1 377.794 2.428 20 0 GEADMO CN1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000290068531 532871724 /nfs/dbraw/zinc/87/17/24/532871724.db2.gz HVPXAICMOGIIQS-HNNXBMFYSA-N 1 1 385.961 2.006 20 0 GEADMO CN(C)c1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ncc1Br ZINC000333667322 532871654 /nfs/dbraw/zinc/87/16/54/532871654.db2.gz NCFUNBVVCMRYFO-FZMZJTMJSA-N 1 1 382.306 2.468 20 0 GEADMO C[C@H](CNC(=O)c1cc(Cl)ncc1Br)C[NH+]1CCOCC1 ZINC000290131623 532873411 /nfs/dbraw/zinc/87/34/11/532873411.db2.gz TXNZGUWZWPSLTH-SNVBAGLBSA-N 1 1 376.682 2.196 20 0 GEADMO Cc1ccc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(Br)c1 ZINC000333908053 532875579 /nfs/dbraw/zinc/87/55/79/532875579.db2.gz DEXUPSKVDJNCPR-CYBMUJFWSA-N 1 1 395.301 2.186 20 0 GEADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000290248615 532876350 /nfs/dbraw/zinc/87/63/50/532876350.db2.gz SUKKHGXECJETBZ-LBPRGKRZSA-N 1 1 375.922 2.098 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000416406311 532876608 /nfs/dbraw/zinc/87/66/08/532876608.db2.gz FEFGKFOXWLKCPH-AAEUAGOBSA-N 1 1 376.906 2.318 20 0 GEADMO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000290318497 532878023 /nfs/dbraw/zinc/87/80/23/532878023.db2.gz KQXHBWKXTBOJOS-LLVKDONJSA-N 1 1 386.290 2.241 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000417584630 532880160 /nfs/dbraw/zinc/88/01/60/532880160.db2.gz NFFVJTYBIVYWDK-ZDUSSCGKSA-N 1 1 378.826 2.337 20 0 GEADMO Cc1cc(CNC(=O)c2cc(S(C)(=O)=O)cs2)cc(N2CCCC2)[nH+]1 ZINC000290441899 532880926 /nfs/dbraw/zinc/88/09/26/532880926.db2.gz CSEHVHCAQSFTNC-UHFFFAOYSA-N 1 1 379.507 2.385 20 0 GEADMO NC(=O)C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290452070 532881094 /nfs/dbraw/zinc/88/10/94/532881094.db2.gz OSHZNDXZECBLTI-LBPRGKRZSA-N 1 1 378.274 2.117 20 0 GEADMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290452070 532881097 /nfs/dbraw/zinc/88/10/97/532881097.db2.gz OSHZNDXZECBLTI-LBPRGKRZSA-N 1 1 378.274 2.117 20 0 GEADMO C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CC[C@H](O)CC1 ZINC000275881910 532885174 /nfs/dbraw/zinc/88/51/74/532885174.db2.gz PCWMHSKKINSCGH-HDJSIYSDSA-N 1 1 376.316 2.458 20 0 GEADMO C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CC[C@H](O)CC1 ZINC000275881910 532885176 /nfs/dbraw/zinc/88/51/76/532885176.db2.gz PCWMHSKKINSCGH-HDJSIYSDSA-N 1 1 376.316 2.458 20 0 GEADMO Ic1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)nc1 ZINC000351089776 532887103 /nfs/dbraw/zinc/88/71/03/532887103.db2.gz LRQLVKDDRXWPSU-ZYHUDNBSSA-N 1 1 398.204 2.272 20 0 GEADMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000420934279 532887403 /nfs/dbraw/zinc/88/74/03/532887403.db2.gz GTVISBPFKLYBPL-NWDGAFQWSA-N 1 1 375.332 2.419 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420918937 532887772 /nfs/dbraw/zinc/88/77/72/532887772.db2.gz AOFTWNVGBXUODG-IAGOWNOFSA-N 1 1 383.330 2.149 20 0 GEADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000290719226 532887837 /nfs/dbraw/zinc/88/78/37/532887837.db2.gz XNRAOMPCKLCSLX-CYBMUJFWSA-N 1 1 376.469 2.462 20 0 GEADMO C[C@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)N1CC[NH+](C)CC1 ZINC000290813371 532890115 /nfs/dbraw/zinc/89/01/15/532890115.db2.gz FKQUKFCQYADNBQ-CYBMUJFWSA-N 1 1 393.329 2.225 20 0 GEADMO NC(=O)CSc1nnc(SCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000421829808 532890935 /nfs/dbraw/zinc/89/09/35/532890935.db2.gz IXSZGIVUXMDZPI-UHFFFAOYSA-N 1 1 396.563 2.240 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccncc1Br ZINC000361300406 532892976 /nfs/dbraw/zinc/89/29/76/532892976.db2.gz VFDNKNKURKKQKA-IOASZLSFSA-N 1 1 382.302 2.463 20 0 GEADMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@H+]1C ZINC000291037282 532895268 /nfs/dbraw/zinc/89/52/68/532895268.db2.gz GTKTXESCYRYXIZ-COMQUAJESA-N 1 1 385.555 2.479 20 0 GEADMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CCCCO ZINC000276421056 532895282 /nfs/dbraw/zinc/89/52/82/532895282.db2.gz QXFUMOAKXUKFHZ-LLVKDONJSA-N 1 1 376.238 2.323 20 0 GEADMO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000276420786 532895554 /nfs/dbraw/zinc/89/55/54/532895554.db2.gz GIXPOJAFAUCRCU-BONVTDFDSA-N 1 1 398.276 2.434 20 0 GEADMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000291118042 532896356 /nfs/dbraw/zinc/89/63/56/532896356.db2.gz AQRUXFUEAGTAHU-CQSZACIVSA-N 1 1 396.329 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0 GEADMO Cc1c[nH+]cn1C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000369155055 532937158 /nfs/dbraw/zinc/93/71/58/532937158.db2.gz JZBGZSYHNCIYLW-UHFFFAOYSA-N 1 1 379.258 2.461 20 0 GEADMO COC(=O)c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000368961866 532935917 /nfs/dbraw/zinc/93/59/17/532935917.db2.gz MUWMAZZFHHMZRT-LSDHHAIUSA-N 1 1 383.286 2.189 20 0 GEADMO Brc1cc(CN2CCN(CC[N@H+]3CCCOCC3)CC2)cs1 ZINC000369003123 532936301 /nfs/dbraw/zinc/93/63/01/532936301.db2.gz UHTMWBPDCQDSFH-UHFFFAOYSA-N 1 1 388.375 2.351 20 0 GEADMO C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OCC(F)(F)F)[C@H]1c1cccs1 ZINC000369546840 532939936 /nfs/dbraw/zinc/93/99/36/532939936.db2.gz DDFZXLTZZYMYTM-GWCFXTLKSA-N 1 1 379.404 2.146 20 0 GEADMO C[N@H+]1CC[C@H](CNc2ncccc2S(N)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000369356925 532938930 /nfs/dbraw/zinc/93/89/30/532938930.db2.gz ZZBBSUNQFRGAEN-CZUORRHYSA-N 1 1 380.901 2.487 20 0 GEADMO C[C@@H]1CC[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939014 /nfs/dbraw/zinc/93/90/14/532939014.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939016 /nfs/dbraw/zinc/93/90/16/532939016.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@](=O)CC[N@H+]1CCCCCCN1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939017 /nfs/dbraw/zinc/93/90/17/532939017.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCCCCCN1CC[S@](=O)CC[C@@H]1C ZINC000369351508 532939019 /nfs/dbraw/zinc/93/90/19/532939019.db2.gz DIUOMGWYSHWPSB-ZJYDQZTPSA-N 1 1 376.632 2.233 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cscc1Br ZINC000294421878 532939013 /nfs/dbraw/zinc/93/90/13/532939013.db2.gz GKCXRHUYAQHKHN-NSHDSACASA-N 1 1 375.332 2.357 20 0 GEADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369532295 532939813 /nfs/dbraw/zinc/93/98/13/532939813.db2.gz RSNOBOVPXAZSJO-HLPPOEQASA-N 1 1 387.571 2.204 20 0 GEADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369532295 532939814 /nfs/dbraw/zinc/93/98/14/532939814.db2.gz RSNOBOVPXAZSJO-HLPPOEQASA-N 1 1 387.571 2.204 20 0 GEADMO O=Cc1ccc(OCC(=O)N2CCC[N@H+](C3CC3)CC2)c(Br)c1 ZINC000369725586 532940569 /nfs/dbraw/zinc/94/05/69/532940569.db2.gz NFIQOAMSZTVNKJ-UHFFFAOYSA-N 1 1 381.270 2.337 20 0 GEADMO Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Cl)cc1F ZINC000370505684 532943756 /nfs/dbraw/zinc/94/37/56/532943756.db2.gz XFKRLDLGWQFKHS-AWEZNQCLSA-N 1 1 389.924 2.188 20 0 GEADMO O=C(NCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)c1cccc(Br)c1 ZINC000370022816 532941826 /nfs/dbraw/zinc/94/18/26/532941826.db2.gz YMXXSTGHUGDSES-HOCLYGCPSA-N 1 1 394.313 2.170 20 0 GEADMO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370727444 532945081 /nfs/dbraw/zinc/94/50/81/532945081.db2.gz YFXFVFBOZMLZEM-BZUAXINKSA-N 1 1 382.302 2.409 20 0 GEADMO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370748245 532945189 /nfs/dbraw/zinc/94/51/89/532945189.db2.gz GASBOOCKYLSJQV-CZUORRHYSA-N 1 1 382.302 2.183 20 0 GEADMO Nc1cc2c(nn1)CC[N@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000371377231 532947898 /nfs/dbraw/zinc/94/78/98/532947898.db2.gz BNZFJPWBSWBNFG-UHFFFAOYSA-N 1 1 385.269 2.565 20 0 GEADMO Nc1cc2c(nn1)CC[N@@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000371377231 532947899 /nfs/dbraw/zinc/94/78/99/532947899.db2.gz BNZFJPWBSWBNFG-UHFFFAOYSA-N 1 1 385.269 2.565 20 0 GEADMO CN1CC[NH+](C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000371424763 532948034 /nfs/dbraw/zinc/94/80/34/532948034.db2.gz PNSDUBJGKXRJOQ-AWEZNQCLSA-N 1 1 389.924 2.127 20 0 GEADMO CCCN1CC[NH+](C2CCN(C(=O)c3cccc(Br)n3)CC2)CC1 ZINC000371422266 532948042 /nfs/dbraw/zinc/94/80/42/532948042.db2.gz DXTMWRCVSGCRED-UHFFFAOYSA-N 1 1 395.345 2.476 20 0 GEADMO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1Br ZINC000371505239 532948432 /nfs/dbraw/zinc/94/84/32/532948432.db2.gz IOTACROGGQFLMJ-FZMZJTMJSA-N 1 1 389.315 2.172 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000371197976 532947282 /nfs/dbraw/zinc/94/72/82/532947282.db2.gz ZKKNYFSVRSRQCK-HNNXBMFYSA-N 1 1 391.269 2.456 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000371197976 532947283 /nfs/dbraw/zinc/94/72/83/532947283.db2.gz ZKKNYFSVRSRQCK-HNNXBMFYSA-N 1 1 391.269 2.456 20 0 GEADMO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371227017 532947322 /nfs/dbraw/zinc/94/73/22/532947322.db2.gz BREKAYCANBSIRA-ORQFMDKSSA-N 1 1 378.314 2.392 20 0 GEADMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000371730505 532949452 /nfs/dbraw/zinc/94/94/52/532949452.db2.gz UZIHFKRUDNNLCC-CABCVRRESA-N 1 1 385.555 2.090 20 0 GEADMO Nc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000371723417 532949535 /nfs/dbraw/zinc/94/95/35/532949535.db2.gz KHHOJNAJQLJLMO-UHFFFAOYSA-N 1 1 376.258 2.208 20 0 GEADMO CC(C)[NH+](CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(C)C ZINC000012141577 221157162 /nfs/dbraw/zinc/15/71/62/221157162.db2.gz CXLFZWHYDBAUFQ-UHFFFAOYSA-N 1 1 396.962 2.141 20 0 GEADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000053391636 222009984 /nfs/dbraw/zinc/00/99/84/222009984.db2.gz VJCNAHIKSZCPET-INIZCTEOSA-N 1 1 393.553 2.467 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443085 222146388 /nfs/dbraw/zinc/14/63/88/222146388.db2.gz KZBMBNRFOKVWEY-AWEZNQCLSA-N 1 1 392.463 2.035 20 0 GEADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736401454 598825563 /nfs/dbraw/zinc/82/55/63/598825563.db2.gz WZVANCBJWYLEBK-MJGOQNOKSA-N 1 1 397.527 2.216 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000737523793 598851474 /nfs/dbraw/zinc/85/14/74/598851474.db2.gz JBFOAFHFFNQYMT-UHFFFAOYSA-N 1 1 395.515 2.197 20 0 GEADMO COC1CCC([N@@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736960972 598852696 /nfs/dbraw/zinc/85/26/96/598852696.db2.gz JCAWSICEZMNLAY-UHFFFAOYSA-N 1 1 382.472 2.281 20 0 GEADMO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866335 598897887 /nfs/dbraw/zinc/89/78/87/598897887.db2.gz ZRDQCXJYPCMBMP-MRXNPFEDSA-N 1 1 398.492 2.239 20 0 GEADMO O=C(C[N@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866335 598897888 /nfs/dbraw/zinc/89/78/88/598897888.db2.gz ZRDQCXJYPCMBMP-MRXNPFEDSA-N 1 1 398.492 2.239 20 0 GEADMO O=C(C[N@@H+](CCO)[C@@H]1CCCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866171 598898081 /nfs/dbraw/zinc/89/80/81/598898081.db2.gz XNWFUMDDODPKSV-MRXNPFEDSA-N 1 1 398.492 2.239 20 0 GEADMO O=C(C[N@H+](CCO)[C@@H]1CCCc2ccccc21)Nc1sccc1-c1nn[nH]n1 ZINC000737866171 598898083 /nfs/dbraw/zinc/89/80/83/598898083.db2.gz XNWFUMDDODPKSV-MRXNPFEDSA-N 1 1 398.492 2.239 20 0 GEADMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736379774 598915363 /nfs/dbraw/zinc/91/53/63/598915363.db2.gz DHCRWABWDQBVLJ-GJZGRUSLSA-N 1 1 378.864 2.084 20 0 GEADMO O=C(C[N@H+](CCCO)[C@H]1CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737866332 598917693 /nfs/dbraw/zinc/91/76/93/598917693.db2.gz ZPZSLDOKUBJUFQ-IBGZPJMESA-N 1 1 392.463 2.177 20 0 GEADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000266836955 598923774 /nfs/dbraw/zinc/92/37/74/598923774.db2.gz ODGBQBJQSPRPSQ-SFHVURJKSA-N 1 1 378.436 2.096 20 0 GEADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000266836955 598923775 /nfs/dbraw/zinc/92/37/75/598923775.db2.gz ODGBQBJQSPRPSQ-SFHVURJKSA-N 1 1 378.436 2.096 20 0 GEADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737100025 598961482 /nfs/dbraw/zinc/96/14/82/598961482.db2.gz SVGQQMHVCIWQIE-SJKOYZFVSA-N 1 1 396.426 2.471 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000737031796 598986188 /nfs/dbraw/zinc/98/61/88/598986188.db2.gz HOCPKPHMIHBYTJ-INIZCTEOSA-N 1 1 397.483 2.442 20 0 GEADMO CCC[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736469152 598989676 /nfs/dbraw/zinc/98/96/76/598989676.db2.gz GNDSPXWURDIXBS-BHIYHBOVSA-N 1 1 398.511 2.008 20 0 GEADMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564750 598990899 /nfs/dbraw/zinc/99/08/99/598990899.db2.gz DKKQUCKOKNJKSB-QWHCGFSZSA-N 1 1 377.518 2.061 20 0 GEADMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736564750 598990901 /nfs/dbraw/zinc/99/09/01/598990901.db2.gz DKKQUCKOKNJKSB-QWHCGFSZSA-N 1 1 377.518 2.061 20 0 GEADMO C[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736154163 599017698 /nfs/dbraw/zinc/01/76/98/599017698.db2.gz TXKZPXAWILDZLH-KBPBESRZSA-N 1 1 386.456 2.001 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736275825 599022097 /nfs/dbraw/zinc/02/20/97/599022097.db2.gz DNSUCBOMLRERTH-OAHLLOKOSA-N 1 1 391.479 2.424 20 0 GEADMO C[N@@H+](CCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736799714 599025394 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ZINC000737194175 598671422 /nfs/dbraw/zinc/67/14/22/598671422.db2.gz CZTGMIQTQMIUJR-MRXNPFEDSA-N 1 1 376.464 2.142 20 0 GEADMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)c(-c2nn[nH]n2)c1C ZINC000737551494 598683682 /nfs/dbraw/zinc/68/36/82/598683682.db2.gz HUTNGFNGPPIZGK-LBPRGKRZSA-N 1 1 396.451 2.210 20 0 GEADMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3CC2)c(-c2nn[nH]n2)c1C ZINC000737551494 598683684 /nfs/dbraw/zinc/68/36/84/598683684.db2.gz HUTNGFNGPPIZGK-LBPRGKRZSA-N 1 1 396.451 2.210 20 0 GEADMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736569923 598688664 /nfs/dbraw/zinc/68/86/64/598688664.db2.gz KFOSRPXBDSTBPJ-MRXNPFEDSA-N 1 1 393.451 2.268 20 0 GEADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736403142 598694167 /nfs/dbraw/zinc/69/41/67/598694167.db2.gz SKGDXWHPBVVFBY-HNNXBMFYSA-N 1 1 386.500 2.262 20 0 GEADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736571447 598694499 /nfs/dbraw/zinc/69/44/99/598694499.db2.gz RNSZBLNGMZQYCS-CRAIPNDOSA-N 1 1 386.500 2.261 20 0 GEADMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735831474 598701250 /nfs/dbraw/zinc/70/12/50/598701250.db2.gz SGQJNOYXBQAQTL-HNNXBMFYSA-N 1 1 396.417 2.488 20 0 GEADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736020285 598704254 /nfs/dbraw/zinc/70/42/54/598704254.db2.gz MPAUVKNTRZZTCH-ZDUSSCGKSA-N 1 1 376.461 2.091 20 0 GEADMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736020610 598704683 /nfs/dbraw/zinc/70/46/83/598704683.db2.gz RASKMPJIUIGAHM-CQSZACIVSA-N 1 1 390.488 2.481 20 0 GEADMO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000737110097 598705824 /nfs/dbraw/zinc/70/58/24/598705824.db2.gz SHXAZJATQSFSSL-UHFFFAOYSA-N 1 1 387.415 2.018 20 0 GEADMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000737110097 598705825 /nfs/dbraw/zinc/70/58/25/598705825.db2.gz SHXAZJATQSFSSL-UHFFFAOYSA-N 1 1 387.415 2.018 20 0 GEADMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737489194 598708164 /nfs/dbraw/zinc/70/81/64/598708164.db2.gz XILWBCHIGCJXAK-INIZCTEOSA-N 1 1 397.508 2.257 20 0 GEADMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737489194 598708166 /nfs/dbraw/zinc/70/81/66/598708166.db2.gz XILWBCHIGCJXAK-INIZCTEOSA-N 1 1 397.508 2.257 20 0 GEADMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736481120 598725746 /nfs/dbraw/zinc/72/57/46/598725746.db2.gz UVPAJCINIRJJMD-LLVKDONJSA-N 1 1 395.414 2.322 20 0 GEADMO CC(C)[N@H+](C)CC1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735856931 598762649 /nfs/dbraw/zinc/76/26/49/598762649.db2.gz MBAKOJYWZDQFIS-IBGZPJMESA-N 1 1 397.527 2.024 20 0 GEADMO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735856931 598762652 /nfs/dbraw/zinc/76/26/52/598762652.db2.gz MBAKOJYWZDQFIS-IBGZPJMESA-N 1 1 397.527 2.024 20 0 GEADMO CC(C)CN(C(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000735817760 598765068 /nfs/dbraw/zinc/76/50/68/598765068.db2.gz DGEQASFRNVWJPG-UHFFFAOYSA-N 1 1 398.511 2.357 20 0 GEADMO CC(C)(CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)[NH+]1CCOCC1 ZINC000735671152 598769148 /nfs/dbraw/zinc/76/91/48/598769148.db2.gz POPRRMHPROTVAT-UHFFFAOYSA-N 1 1 389.410 2.216 20 0 GEADMO C[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736295814 598787323 /nfs/dbraw/zinc/78/73/23/598787323.db2.gz YMGRUZWFGSKMKY-KDOFPFPSSA-N 1 1 382.443 2.250 20 0 GEADMO COc1cc(C[N@H+]2CCC[C@H]2CO)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045947 599322361 /nfs/dbraw/zinc/32/23/61/599322361.db2.gz VGYQXGTUTRNGJV-SFHVURJKSA-N 1 1 395.463 2.411 20 0 GEADMO O=C1C[C@H]([NH+]2CCC(C3CCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299683 599334061 /nfs/dbraw/zinc/33/40/61/599334061.db2.gz BCPOFAUMKMPSGR-SFHVURJKSA-N 1 1 394.479 2.401 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000821255380 599344744 /nfs/dbraw/zinc/34/47/44/599344744.db2.gz ZGPZKCXYKVHSHW-WCQYABFASA-N 1 1 398.920 2.013 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000821255378 599344993 /nfs/dbraw/zinc/34/49/93/599344993.db2.gz ZGPZKCXYKVHSHW-AAEUAGOBSA-N 1 1 398.920 2.013 20 0 GEADMO CO[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821677488 599382951 /nfs/dbraw/zinc/38/29/51/599382951.db2.gz YCQLGOBBYRWLNL-HOTGVXAUSA-N 1 1 386.843 2.024 20 0 GEADMO OC[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)Cc1ccc(F)cc1 ZINC000823706039 599472792 /nfs/dbraw/zinc/47/27/92/599472792.db2.gz JZBAPRVTKISJLT-CQSZACIVSA-N 1 1 378.411 2.239 20 0 GEADMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736230888 599477419 /nfs/dbraw/zinc/47/74/19/599477419.db2.gz ABZWSONXMGTRAJ-KSSFIOAISA-N 1 1 394.454 2.500 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737875342 599478663 /nfs/dbraw/zinc/47/86/63/599478663.db2.gz JRFMFMWKDCRGOP-KRWDZBQOSA-N 1 1 394.454 2.187 20 0 GEADMO CC(=O)NC1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000819803147 599515721 /nfs/dbraw/zinc/51/57/21/599515721.db2.gz KHGMETRSYLRWAS-UHFFFAOYSA-N 1 1 379.468 2.313 20 0 GEADMO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@@H]1C ZINC000821378623 599533751 /nfs/dbraw/zinc/53/37/51/599533751.db2.gz QHQZJHFTYSQVHZ-LBPRGKRZSA-N 1 1 384.406 2.433 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000735747346 599559047 /nfs/dbraw/zinc/55/90/47/599559047.db2.gz CKUCJHWNACMLFJ-SFHVURJKSA-N 1 1 386.500 2.214 20 0 GEADMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000736859079 599565731 /nfs/dbraw/zinc/56/57/31/599565731.db2.gz DDXGRLAQRMOZIK-MRXNPFEDSA-N 1 1 379.424 2.477 20 0 GEADMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000736859079 599565732 /nfs/dbraw/zinc/56/57/32/599565732.db2.gz DDXGRLAQRMOZIK-MRXNPFEDSA-N 1 1 379.424 2.477 20 0 GEADMO CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736403802 599580894 /nfs/dbraw/zinc/58/08/94/599580894.db2.gz XGXWGSGEJLWBON-JLTOFOAXSA-N 1 1 397.483 2.103 20 0 GEADMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000735562210 599589852 /nfs/dbraw/zinc/58/98/52/599589852.db2.gz OLDPFJXMOVPUDZ-OAHLLOKOSA-N 1 1 383.500 2.144 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)CO1 ZINC000820750992 599594149 /nfs/dbraw/zinc/59/41/49/599594149.db2.gz DYDULCCIDHUFNB-ZTNFWEORSA-N 1 1 395.463 2.068 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)CO1 ZINC000820750992 599594150 /nfs/dbraw/zinc/59/41/50/599594150.db2.gz DYDULCCIDHUFNB-ZTNFWEORSA-N 1 1 395.463 2.068 20 0 GEADMO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473749 599640117 /nfs/dbraw/zinc/64/01/17/599640117.db2.gz LCUXWXYJKWKPAR-RYUDHWBXSA-N 1 1 392.529 2.227 20 0 GEADMO C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000820473749 599640118 /nfs/dbraw/zinc/64/01/18/599640118.db2.gz LCUXWXYJKWKPAR-RYUDHWBXSA-N 1 1 392.529 2.227 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821598991 599641521 /nfs/dbraw/zinc/64/15/21/599641521.db2.gz AYTYGEUBHDQFKT-AWEZNQCLSA-N 1 1 391.907 2.265 20 0 GEADMO Cc1oc(NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(-c2nn[nH]n2)c1C ZINC000822542210 599641527 /nfs/dbraw/zinc/64/15/27/599641527.db2.gz VKZHRIOLOPDDCM-DZGCQCFKSA-N 1 1 389.504 2.210 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165464 599644234 /nfs/dbraw/zinc/64/42/34/599644234.db2.gz SNEBQPCMRVONQB-GOSISDBHSA-N 1 1 380.452 2.169 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165464 599644235 /nfs/dbraw/zinc/64/42/35/599644235.db2.gz SNEBQPCMRVONQB-GOSISDBHSA-N 1 1 380.452 2.169 20 0 GEADMO 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ZINC000823561609 606190248 /nfs/dbraw/zinc/19/02/48/606190248.db2.gz GFPOVZVHQKFARP-LJQANCHMSA-N 1 1 387.509 2.463 20 0 GEADMO O=S(=O)(CC[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561609 606190250 /nfs/dbraw/zinc/19/02/50/606190250.db2.gz GFPOVZVHQKFARP-LJQANCHMSA-N 1 1 387.509 2.463 20 0 GEADMO CCN(C[C@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000821197842 606191261 /nfs/dbraw/zinc/19/12/61/606191261.db2.gz MKKGGIOMHKWXBO-CQSZACIVSA-N 1 1 398.433 2.452 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000822638054 606214360 /nfs/dbraw/zinc/21/43/60/606214360.db2.gz XWKHNURIWNOKQE-KRWDZBQOSA-N 1 1 399.886 2.426 20 0 GEADMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCO[C@@H](c4cnn(C)c4)C3)c2c1 ZINC000822195635 606228015 /nfs/dbraw/zinc/22/80/15/606228015.db2.gz YXPBPDXUPBIAGU-QGZVFWFLSA-N 1 1 390.451 2.343 20 0 GEADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC000820705674 606256688 /nfs/dbraw/zinc/25/66/88/606256688.db2.gz WFWMRKHKJMBWBM-AWEZNQCLSA-N 1 1 379.468 2.499 20 0 GEADMO COC(=O)[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000821642030 606306074 /nfs/dbraw/zinc/30/60/74/606306074.db2.gz CKAOTCAAOSRNOG-KXBFYZLASA-N 1 1 394.479 2.191 20 0 GEADMO Cc1cccc(OCC[N@@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000822326847 606314931 /nfs/dbraw/zinc/31/49/31/606314931.db2.gz BJQQISSURDNYCK-MRXNPFEDSA-N 1 1 398.492 2.353 20 0 GEADMO Cc1cccc(OCC[N@H+](C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000822326847 606314933 /nfs/dbraw/zinc/31/49/33/606314933.db2.gz BJQQISSURDNYCK-MRXNPFEDSA-N 1 1 398.492 2.353 20 0 GEADMO Cc1nc(SCC(=O)Nc2cc[nH+]c(N(C)C)c2)c(-c2nn[nH]n2)c(C)c1C ZINC000822453273 606327217 /nfs/dbraw/zinc/32/72/17/606327217.db2.gz GSNVEBHOWYDBFI-UHFFFAOYSA-N 1 1 398.496 2.379 20 0 GEADMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820643650 606335533 /nfs/dbraw/zinc/33/55/33/606335533.db2.gz YAMDTUNCTJFVDY-KXBFYZLASA-N 1 1 376.464 2.361 20 0 GEADMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820870482 606375924 /nfs/dbraw/zinc/37/59/24/606375924.db2.gz SZHPXZPYDDGGPT-CQSZACIVSA-N 1 1 382.472 2.359 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000822660000 606409821 /nfs/dbraw/zinc/40/98/21/606409821.db2.gz SUMPQXZWOFBMED-INIZCTEOSA-N 1 1 380.452 2.274 20 0 GEADMO Cc1cccc2c(NC[C@H](O)COc3cccc(F)c3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337337 606455719 /nfs/dbraw/zinc/45/57/19/606455719.db2.gz XIBFRBAAJXETIB-AWEZNQCLSA-N 1 1 394.410 2.136 20 0 GEADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821266487 606475297 /nfs/dbraw/zinc/47/52/97/606475297.db2.gz DZIKLZVEWNGFIA-INIZCTEOSA-N 1 1 395.467 2.027 20 0 GEADMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822015439 606504445 /nfs/dbraw/zinc/50/44/45/606504445.db2.gz JOHLGSXWVXOIRN-BETUJISGSA-N 1 1 397.483 2.453 20 0 GEADMO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821685219 606520903 /nfs/dbraw/zinc/52/09/03/606520903.db2.gz XNDZWKADNOHTGP-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO COC[C@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821685219 606520904 /nfs/dbraw/zinc/52/09/04/606520904.db2.gz XNDZWKADNOHTGP-GFCCVEGCSA-N 1 1 390.513 2.246 20 0 GEADMO O=C(CC[N@@H+]1CCOC[C@H]1Cc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969462 606523430 /nfs/dbraw/zinc/52/34/30/606523430.db2.gz OVSZTNIMXSYUSK-LJQANCHMSA-N 1 1 392.463 2.139 20 0 GEADMO O=C(CC[N@H+]1CCOC[C@H]1Cc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969462 606523433 /nfs/dbraw/zinc/52/34/33/606523433.db2.gz OVSZTNIMXSYUSK-LJQANCHMSA-N 1 1 392.463 2.139 20 0 GEADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)c2)CCO1 ZINC000820758797 606538348 /nfs/dbraw/zinc/53/83/48/606538348.db2.gz DCKNDPDCQNVTAD-ZDUSSCGKSA-N 1 1 398.492 2.079 20 0 GEADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)c2)CCO1 ZINC000820758797 606538350 /nfs/dbraw/zinc/53/83/50/606538350.db2.gz DCKNDPDCQNVTAD-ZDUSSCGKSA-N 1 1 398.492 2.079 20 0 GEADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821596496 606577806 /nfs/dbraw/zinc/57/78/06/606577806.db2.gz LUCCLTMWJYHOBR-IBGZPJMESA-N 1 1 390.491 2.390 20 0 GEADMO O=C(CCc1ccoc1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822983534 606606552 /nfs/dbraw/zinc/60/65/52/606606552.db2.gz PTPGSMIWHHHLLC-UHFFFAOYSA-N 1 1 380.452 2.127 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821572034 606616406 /nfs/dbraw/zinc/61/64/06/606616406.db2.gz OYHFLKKKFALZDK-OAHLLOKOSA-N 1 1 388.472 2.187 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572125 606616595 /nfs/dbraw/zinc/61/65/95/606616595.db2.gz SCNXXYAUZVPUJC-HNNXBMFYSA-N 1 1 388.472 2.187 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000820033607 606624403 /nfs/dbraw/zinc/62/44/03/606624403.db2.gz XOWKEOBTFVERLX-DEYYWGMASA-N 1 1 384.484 2.012 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCc1ccccn1 ZINC000819867076 606641195 /nfs/dbraw/zinc/64/11/95/606641195.db2.gz QYPQBSUZZNDIPZ-LBPRGKRZSA-N 1 1 385.859 2.417 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCc1ccccn1 ZINC000819867076 606641196 /nfs/dbraw/zinc/64/11/96/606641196.db2.gz QYPQBSUZZNDIPZ-LBPRGKRZSA-N 1 1 385.859 2.417 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821002219 606685732 /nfs/dbraw/zinc/68/57/32/606685732.db2.gz VBSFOBUPEOPYKW-OLZOCXBDSA-N 1 1 376.411 2.234 20 0 GEADMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000820403999 606715045 /nfs/dbraw/zinc/71/50/45/606715045.db2.gz OTXXPXCFSHTVSF-IFXJQAMLSA-N 1 1 391.479 2.344 20 0 GEADMO CN1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C[C@H]21 ZINC000821628717 606761754 /nfs/dbraw/zinc/76/17/54/606761754.db2.gz OTBQBTMWZFRDLK-WOJBJXKFSA-N 1 1 376.464 2.049 20 0 GEADMO Cc1cc(C)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c(C)c1 ZINC000822194075 606784257 /nfs/dbraw/zinc/78/42/57/606784257.db2.gz HNLBHFJJKKHZLD-MRXNPFEDSA-N 1 1 378.484 2.293 20 0 GEADMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752401 606815178 /nfs/dbraw/zinc/81/51/78/606815178.db2.gz MSPXOGZAGNXKFK-CRAIPNDOSA-N 1 1 386.500 2.261 20 0 GEADMO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000822535337 606819010 /nfs/dbraw/zinc/81/90/10/606819010.db2.gz NRANVDXAYKRPHQ-TZMCWYRMSA-N 1 1 383.456 2.017 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000821412644 606833070 /nfs/dbraw/zinc/83/30/70/606833070.db2.gz QHOWTCRFZIYEBA-AWEZNQCLSA-N 1 1 387.488 2.365 20 0 GEADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000821407044 606834770 /nfs/dbraw/zinc/83/47/70/606834770.db2.gz NUXNIHCMODTANJ-XJKSGUPXSA-N 1 1 387.488 2.459 20 0 GEADMO O[C@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680804 606843030 /nfs/dbraw/zinc/84/30/30/606843030.db2.gz ANNQPMGHKRUULY-GOSISDBHSA-N 1 1 384.871 2.376 20 0 GEADMO Cc1[nH+]c2cc3c(cc2n1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)OCCO3 ZINC000822459846 606851284 /nfs/dbraw/zinc/85/12/84/606851284.db2.gz YWIHYAPWHDQRCU-MRXNPFEDSA-N 1 1 378.392 2.030 20 0 GEADMO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681602 606860775 /nfs/dbraw/zinc/86/07/75/606860775.db2.gz HHCKHWIIUVGHMB-SJORKVTESA-N 1 1 394.483 2.055 20 0 GEADMO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681602 606860777 /nfs/dbraw/zinc/86/07/77/606860777.db2.gz HHCKHWIIUVGHMB-SJORKVTESA-N 1 1 394.483 2.055 20 0 GEADMO C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1COc2ccccc2O1 ZINC000821600491 606883341 /nfs/dbraw/zinc/88/33/41/606883341.db2.gz ORRJFMUZIPTHPG-KRWDZBQOSA-N 1 1 381.436 2.407 20 0 GEADMO O[C@H](C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681682 606894033 /nfs/dbraw/zinc/89/40/33/606894033.db2.gz IPTDHHWSYDEMAK-IAGOWNOFSA-N 1 1 379.420 2.466 20 0 GEADMO O=C1CCCCN1[C@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000823526064 606897923 /nfs/dbraw/zinc/89/79/23/606897923.db2.gz YJMVHVFKVIUFDW-KRWDZBQOSA-N 1 1 384.484 2.113 20 0 GEADMO COc1ccc([C@H](CO)[N@@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821777076 606899593 /nfs/dbraw/zinc/89/95/93/606899593.db2.gz ABJVARRZAHIEIA-IBGZPJMESA-N 1 1 383.452 2.310 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)C[N@H+]1Cc1ccccc1 ZINC000820658590 606903862 /nfs/dbraw/zinc/90/38/62/606903862.db2.gz UCIORJOLYFPBNY-MAUKXSAKSA-N 1 1 392.463 2.025 20 0 GEADMO OCCC[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000823717432 606910496 /nfs/dbraw/zinc/91/04/96/606910496.db2.gz GNBAXQYTCAGRJJ-WOJBJXKFSA-N 1 1 379.464 2.272 20 0 GEADMO CCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528856 606917759 /nfs/dbraw/zinc/91/77/59/606917759.db2.gz SDDDLGZOJXYNJY-UHFFFAOYSA-N 1 1 384.513 2.165 20 0 GEADMO CN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821595283 606931408 /nfs/dbraw/zinc/93/14/08/606931408.db2.gz RKVKIXNDECGMNY-WOJBJXKFSA-N 1 1 378.480 2.106 20 0 GEADMO C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000821595283 606931409 /nfs/dbraw/zinc/93/14/09/606931409.db2.gz RKVKIXNDECGMNY-WOJBJXKFSA-N 1 1 378.480 2.106 20 0 GEADMO C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000821595283 606931410 /nfs/dbraw/zinc/93/14/10/606931410.db2.gz RKVKIXNDECGMNY-WOJBJXKFSA-N 1 1 378.480 2.106 20 0 GEADMO CCc1[nH+]ccn1[C@H]1CCCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)C1 ZINC000821521744 606932173 /nfs/dbraw/zinc/93/21/73/606932173.db2.gz HESNRXBANBBBTB-ZDUSSCGKSA-N 1 1 381.488 2.382 20 0 GEADMO CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC[N@H+]1C[C@H](C)O ZINC000820994902 606932204 /nfs/dbraw/zinc/93/22/04/606932204.db2.gz LLWAUCBJJOVBSY-WCQYABFASA-N 1 1 384.406 2.167 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC000821358014 606934627 /nfs/dbraw/zinc/93/46/27/606934627.db2.gz GRWHGFDPZTZWSP-IRXDYDNUSA-N 1 1 384.484 2.475 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821360126 606934808 /nfs/dbraw/zinc/93/48/08/606934808.db2.gz QCVZONYETXVOQG-IRXDYDNUSA-N 1 1 384.484 2.475 20 0 GEADMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1-c1nn[nH]n1 ZINC000822772366 606975210 /nfs/dbraw/zinc/97/52/10/606975210.db2.gz WBULURSWKDVIPV-CQSZACIVSA-N 1 1 378.415 2.428 20 0 GEADMO COC(C)(C)C[N@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821672483 606985540 /nfs/dbraw/zinc/98/55/40/606985540.db2.gz MESKLQGFVWXAPP-UHFFFAOYSA-N 1 1 392.529 2.492 20 0 GEADMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000821672483 606985541 /nfs/dbraw/zinc/98/55/41/606985541.db2.gz MESKLQGFVWXAPP-UHFFFAOYSA-N 1 1 392.529 2.492 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 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385.350 2.474 20 0 GEADMO CN(CCCN(C)C(=O)NCc1ccc(Br)cc1)CC[NH+](C)C ZINC000460252220 650440626 /nfs/dbraw/zinc/44/06/26/650440626.db2.gz POVLBCQXBPFNBR-UHFFFAOYSA-N 1 1 385.350 2.474 20 0 GEADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)C1 ZINC000506013686 650442822 /nfs/dbraw/zinc/44/28/22/650442822.db2.gz CFDONPLNHJIZJG-GHMZBOCLSA-N 1 1 391.256 2.183 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)C1 ZINC000506013686 650442823 /nfs/dbraw/zinc/44/28/23/650442823.db2.gz CFDONPLNHJIZJG-GHMZBOCLSA-N 1 1 391.256 2.183 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000507349984 650459168 /nfs/dbraw/zinc/45/91/68/650459168.db2.gz XFLZFNLZYBJMSQ-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000507349984 650459173 /nfs/dbraw/zinc/45/91/73/650459173.db2.gz XFLZFNLZYBJMSQ-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)[C@@H](C)C1 ZINC000507314006 650458667 /nfs/dbraw/zinc/45/86/67/650458667.db2.gz NNQBNPZRPJHVHF-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)[C@@H](C)C1 ZINC000507314006 650458669 /nfs/dbraw/zinc/45/86/69/650458669.db2.gz NNQBNPZRPJHVHF-LBPRGKRZSA-N 1 1 398.301 2.257 20 0 GEADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C)C1 ZINC000507336449 650458754 /nfs/dbraw/zinc/45/87/54/650458754.db2.gz LVTUSCMIFSPUKN-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C)C1 ZINC000507336449 650458757 /nfs/dbraw/zinc/45/87/57/650458757.db2.gz LVTUSCMIFSPUKN-SECBINFHSA-N 1 1 390.228 2.218 20 0 GEADMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)CCc1ccccc1Br ZINC000462090834 650467208 /nfs/dbraw/zinc/46/72/08/650467208.db2.gz QSCDJZXJCWQURS-CYBMUJFWSA-N 1 1 375.332 2.347 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)CCc1ccccc1Br)C1CC1 ZINC000462091159 650467228 /nfs/dbraw/zinc/46/72/28/650467228.db2.gz ROGAMRROIRNLJO-UHFFFAOYSA-N 1 1 375.332 2.395 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000462173401 650472452 /nfs/dbraw/zinc/47/24/52/650472452.db2.gz CCCXWRGHVUJNBL-UHFFFAOYSA-N 1 1 386.539 2.421 20 0 GEADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1)c1ccsc1 ZINC000462423001 650478749 /nfs/dbraw/zinc/47/87/49/650478749.db2.gz RJFHBIGHUDDUGZ-OAHLLOKOSA-N 1 1 385.511 2.224 20 0 GEADMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(I)c2)CC[N@H+]1C ZINC000462487767 650481845 /nfs/dbraw/zinc/48/18/45/650481845.db2.gz GGVGSDKRHJHNIA-JQWIXIFHSA-N 1 1 394.278 2.052 20 0 GEADMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462496722 650481952 /nfs/dbraw/zinc/48/19/52/650481952.db2.gz STEXEYFVXBGTQM-UHFFFAOYSA-N 1 1 385.313 2.249 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000508947160 650484682 /nfs/dbraw/zinc/48/46/82/650484682.db2.gz CKEQPLFPWNDOLL-UHFFFAOYSA-N 1 1 381.281 2.154 20 0 GEADMO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000508977126 650485261 /nfs/dbraw/zinc/48/52/61/650485261.db2.gz JKUFKOLBHKNYCS-STQMWFEESA-N 1 1 375.416 2.385 20 0 GEADMO CCN1CC[NH+](CCC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000462833620 650490835 /nfs/dbraw/zinc/49/08/35/650490835.db2.gz MOCCTNSIFSWBOF-UHFFFAOYSA-N 1 1 396.329 2.028 20 0 GEADMO C[NH+](C)Cc1cc(C(=O)NCc2cc(Br)cc3c2OCC3)no1 ZINC000462845226 650491165 /nfs/dbraw/zinc/49/11/65/650491165.db2.gz NJWUOWNDJXFLCI-UHFFFAOYSA-N 1 1 380.242 2.364 20 0 GEADMO C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)[C@@H](C)C[N@H+]1C ZINC000509592012 650496750 /nfs/dbraw/zinc/49/67/50/650496750.db2.gz MAFQDFCUVVKEBJ-MNOVXSKESA-N 1 1 388.331 2.134 20 0 GEADMO Cc1nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c(=O)[nH]c1C ZINC000467062525 650502026 /nfs/dbraw/zinc/50/20/26/650502026.db2.gz ZPGKCFWPIOKTMK-UHFFFAOYSA-N 1 1 379.258 2.463 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)Cc2nc3ncccn3n2)cc1Br ZINC000467062894 650502080 /nfs/dbraw/zinc/50/20/80/650502080.db2.gz GVIIWQJLGBSHRN-UHFFFAOYSA-N 1 1 389.257 2.130 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467058411 650502091 /nfs/dbraw/zinc/50/20/91/650502091.db2.gz PPXULWFSAFFOMN-XHDPSFHLSA-N 1 1 380.286 2.295 20 0 GEADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000509922615 650503412 /nfs/dbraw/zinc/50/34/12/650503412.db2.gz DQANTSQEXJZAEY-ZIAGYGMSSA-N 1 1 385.302 2.443 20 0 GEADMO CC[N@H+](CC(=O)Nc1ccc(I)cc1C)C[C@H](C)O ZINC000510108419 650506810 /nfs/dbraw/zinc/50/68/10/650506810.db2.gz KYZWJUOWAHGORB-NSHDSACASA-N 1 1 376.238 2.241 20 0 GEADMO CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000510208092 650508551 /nfs/dbraw/zinc/50/85/51/650508551.db2.gz GOGNPYWCFBOCQE-OAHLLOKOSA-N 1 1 392.301 2.147 20 0 GEADMO C[C@@H]1CN(CCC[NH2+]Cc2ncc(I)s2)C[C@@H](C)O1 ZINC000510253404 650509240 /nfs/dbraw/zinc/50/92/40/650509240.db2.gz HKKKGRIEYTUMBY-GHMZBOCLSA-N 1 1 395.310 2.337 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000472216419 650520534 /nfs/dbraw/zinc/52/05/34/650520534.db2.gz ZJHFHYKWLHGAPB-OAHLLOKOSA-N 1 1 387.571 2.058 20 0 GEADMO CCn1cc(Br)cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000511034143 650523840 /nfs/dbraw/zinc/52/38/40/650523840.db2.gz UZKXOPZDTXHPQU-UHFFFAOYSA-N 1 1 385.350 2.274 20 0 GEADMO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000474084586 650526888 /nfs/dbraw/zinc/52/68/88/650526888.db2.gz SNVQRCSPFAKRSA-UHFFFAOYSA-N 1 1 377.304 2.139 20 0 GEADMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000474094068 650527185 /nfs/dbraw/zinc/52/71/85/650527185.db2.gz DQTZQHPJQRFLSC-UHFFFAOYSA-N 1 1 377.304 2.174 20 0 GEADMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000474094068 650527190 /nfs/dbraw/zinc/52/71/90/650527190.db2.gz DQTZQHPJQRFLSC-UHFFFAOYSA-N 1 1 377.304 2.174 20 0 GEADMO NC(=O)[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc(Br)c1 ZINC000475429819 650533331 /nfs/dbraw/zinc/53/33/31/650533331.db2.gz TUCVIDUYOQALFJ-INIZCTEOSA-N 1 1 386.253 2.346 20 0 GEADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccsc1Br ZINC000511404330 650535938 /nfs/dbraw/zinc/53/59/38/650535938.db2.gz KFVXTOPMASAYMW-LBPRGKRZSA-N 1 1 376.320 2.421 20 0 GEADMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000475794336 650538900 /nfs/dbraw/zinc/53/89/00/650538900.db2.gz ZPKMFSPUMPDLLX-GFCCVEGCSA-N 1 1 377.279 2.445 20 0 GEADMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000475794336 650538903 /nfs/dbraw/zinc/53/89/03/650538903.db2.gz ZPKMFSPUMPDLLX-GFCCVEGCSA-N 1 1 377.279 2.445 20 0 GEADMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1ccc(C(=O)OC)cc1Cl ZINC000475886971 650541606 /nfs/dbraw/zinc/54/16/06/650541606.db2.gz HLCQZEIHJULUIL-CYBMUJFWSA-N 1 1 387.885 2.486 20 0 GEADMO COC(=O)C[C@@H]1CSCC[N@H+]1CCOc1ccc(C(=O)OC)cc1Cl ZINC000475886971 650541607 /nfs/dbraw/zinc/54/16/07/650541607.db2.gz HLCQZEIHJULUIL-CYBMUJFWSA-N 1 1 387.885 2.486 20 0 GEADMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ncc(I)s2)C1(C)C ZINC000511909313 650542230 /nfs/dbraw/zinc/54/22/30/650542230.db2.gz RSFZXETXDQEQBG-RNCFNFMXSA-N 1 1 396.294 2.403 20 0 GEADMO Cc1nc2ccc(Br)cn2c1C(=O)NCC[NH+]1CCSCC1 ZINC000475906169 650542361 /nfs/dbraw/zinc/54/23/61/650542361.db2.gz BNESTOGGSJZQBG-UHFFFAOYSA-N 1 1 383.315 2.184 20 0 GEADMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000512421674 650548111 /nfs/dbraw/zinc/54/81/11/650548111.db2.gz UMHGDUSGROAMNM-GXTWGEPZSA-N 1 1 383.286 2.473 20 0 GEADMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000512421674 650548115 /nfs/dbraw/zinc/54/81/15/650548115.db2.gz UMHGDUSGROAMNM-GXTWGEPZSA-N 1 1 383.286 2.473 20 0 GEADMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cc2c(cc1Br)OCO2 ZINC000512421674 650548123 /nfs/dbraw/zinc/54/81/23/650548123.db2.gz UMHGDUSGROAMNM-GXTWGEPZSA-N 1 1 383.286 2.473 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000512083712 650545321 /nfs/dbraw/zinc/54/53/21/650545321.db2.gz LOGKIJWFHFHGES-MGPQQGTHSA-N 1 1 394.313 2.353 20 0 GEADMO CCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cn1 ZINC000512117702 650545679 /nfs/dbraw/zinc/54/56/79/650545679.db2.gz YWIBAWWJLSDHCK-UHFFFAOYSA-N 1 1 381.523 2.016 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCSCC2)[C@H]1c1cccs1 ZINC000512613950 650551628 /nfs/dbraw/zinc/55/16/28/650551628.db2.gz UMZLUMYICVVZSW-ZBFHGGJFSA-N 1 1 381.567 2.213 20 0 GEADMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)cc1Cl ZINC000512851027 650555194 /nfs/dbraw/zinc/55/51/94/650555194.db2.gz MDRFVKAEZXJFJS-SNVBAGLBSA-N 1 1 375.803 2.329 20 0 GEADMO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000512996405 650555865 /nfs/dbraw/zinc/55/58/65/650555865.db2.gz LTIODNWFFIJEQI-NSHDSACASA-N 1 1 379.295 2.492 20 0 GEADMO C[C@H]1C[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000514714085 650577444 /nfs/dbraw/zinc/57/74/44/650577444.db2.gz MAZORPLLKRKTKX-RYUDHWBXSA-N 1 1 382.306 2.373 20 0 GEADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478032417 650581669 /nfs/dbraw/zinc/58/16/69/650581669.db2.gz IOZGGOBXOLLBHX-NHYWBVRUSA-N 1 1 375.922 2.304 20 0 GEADMO C[N@@H+](C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000515101170 650586709 /nfs/dbraw/zinc/58/67/09/650586709.db2.gz VQLLVXKQPKEXNH-PXAZEXFGSA-N 1 1 386.279 2.216 20 0 GEADMO CN(Cc1ccc(F)cc1Br)C(=O)NCCC[NH+]1CCOCC1 ZINC000478428961 650585683 /nfs/dbraw/zinc/58/56/83/650585683.db2.gz OBPOPKKLLVXIRM-UHFFFAOYSA-N 1 1 388.281 2.452 20 0 GEADMO C[N@H+](C[C@@H](O)C[NH+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065765 650585987 /nfs/dbraw/zinc/58/59/87/650585987.db2.gz IKCWEFQRRFMHPZ-OAHLLOKOSA-N 1 1 375.296 2.378 20 0 GEADMO C[N@@H+](C[C@@H](O)C[NH+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065765 650585989 /nfs/dbraw/zinc/58/59/89/650585989.db2.gz IKCWEFQRRFMHPZ-OAHLLOKOSA-N 1 1 375.296 2.378 20 0 GEADMO C[NH+](C[C@@H](O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065765 650585992 /nfs/dbraw/zinc/58/59/92/650585992.db2.gz IKCWEFQRRFMHPZ-OAHLLOKOSA-N 1 1 375.296 2.378 20 0 GEADMO C[NH+](C[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])C1CC1 ZINC000515065765 650585994 /nfs/dbraw/zinc/58/59/94/650585994.db2.gz IKCWEFQRRFMHPZ-OAHLLOKOSA-N 1 1 375.296 2.378 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479020410 650594143 /nfs/dbraw/zinc/59/41/43/650594143.db2.gz OQURCAHPVQJBPB-ZBEGNZNMSA-N 1 1 384.307 2.251 20 0 GEADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000479079352 650595561 /nfs/dbraw/zinc/59/55/61/650595561.db2.gz QBHQMKSZAQBRFF-BLLLJJGKSA-N 1 1 384.307 2.205 20 0 GEADMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000479081325 650595797 /nfs/dbraw/zinc/59/57/97/650595797.db2.gz XJJLMWNASHILSZ-LRDDRELGSA-N 1 1 386.323 2.497 20 0 GEADMO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1S(C)(=O)=O ZINC000516762939 650601356 /nfs/dbraw/zinc/60/13/56/650601356.db2.gz ZFEHNBUVVGGHIC-UHFFFAOYSA-N 1 1 385.482 2.101 20 0 GEADMO COCCCS(=O)(=O)NCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518184100 650602593 /nfs/dbraw/zinc/60/25/93/650602593.db2.gz ZQRVPNJPRNHOKQ-SFHVURJKSA-N 1 1 386.583 2.340 20 0 GEADMO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479465699 650604132 /nfs/dbraw/zinc/60/41/32/650604132.db2.gz XQGGWMOCJSOLGI-RQJHMYQMSA-N 1 1 377.240 2.308 20 0 GEADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000518395695 650604271 /nfs/dbraw/zinc/60/42/71/650604271.db2.gz NWVKULHZWAMHIP-CJNGLKHVSA-N 1 1 382.302 2.084 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000519246428 650608609 /nfs/dbraw/zinc/60/86/09/650608609.db2.gz SFUMCINCXVMUNP-CYBMUJFWSA-N 1 1 380.901 2.261 20 0 GEADMO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)[N@H+]1CCC[C@H](C)C1 ZINC000520738039 650616154 /nfs/dbraw/zinc/61/61/54/650616154.db2.gz QCBBWOAYKCYXCZ-KBPBESRZSA-N 1 1 399.333 2.030 20 0 GEADMO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000480262810 650618610 /nfs/dbraw/zinc/61/86/10/650618610.db2.gz WWUFODVQINAMNR-ZDUSSCGKSA-N 1 1 396.329 2.097 20 0 GEADMO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC[N@H+](C)CC3)ccc2s1 ZINC000480281144 650618759 /nfs/dbraw/zinc/61/87/59/650618759.db2.gz HIIWUSRHONPCSO-UHFFFAOYSA-N 1 1 382.507 2.404 20 0 GEADMO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC[N@@H+](C)CC3)ccc2s1 ZINC000480281144 650618761 /nfs/dbraw/zinc/61/87/61/650618761.db2.gz HIIWUSRHONPCSO-UHFFFAOYSA-N 1 1 382.507 2.404 20 0 GEADMO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H]3CCC[N@H+]3C)ccc2s1 ZINC000480483609 650623337 /nfs/dbraw/zinc/62/33/37/650623337.db2.gz WKBUMFJZIYBISP-CYBMUJFWSA-N 1 1 382.507 2.451 20 0 GEADMO COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000522196402 650623662 /nfs/dbraw/zinc/62/36/62/650623662.db2.gz PUSUNVMOMGZLOR-MRXNPFEDSA-N 1 1 382.507 2.045 20 0 GEADMO CC[NH+]1CCN(CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000522266661 650624388 /nfs/dbraw/zinc/62/43/88/650624388.db2.gz XOPOUQSCJTZHDP-UHFFFAOYSA-N 1 1 398.349 2.197 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000522438658 650625156 /nfs/dbraw/zinc/62/51/56/650625156.db2.gz GFHUDUZPTRNUNT-UHFFFAOYSA-N 1 1 388.281 2.165 20 0 GEADMO C[N@H+]([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCN(CCO)CC1 ZINC000480718452 650629275 /nfs/dbraw/zinc/62/92/75/650629275.db2.gz PMBCMNPEBCPEAZ-KRWDZBQOSA-N 1 1 386.323 2.487 20 0 GEADMO C[N@@H+]([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCN(CCO)CC1 ZINC000480718452 650629277 /nfs/dbraw/zinc/62/92/77/650629277.db2.gz PMBCMNPEBCPEAZ-KRWDZBQOSA-N 1 1 386.323 2.487 20 0 GEADMO CCC[N@@H+](C)CC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000481792281 650653741 /nfs/dbraw/zinc/65/37/41/650653741.db2.gz DXJBNLYFBAKAEY-UHFFFAOYSA-N 1 1 380.290 2.330 20 0 GEADMO CN(C)c1cc(Br)cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000481967349 650656886 /nfs/dbraw/zinc/65/68/86/650656886.db2.gz OCPCOKTZASCZBF-INIZCTEOSA-N 1 1 398.345 2.482 20 0 GEADMO CCn1nccc1C[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000482901995 650670460 /nfs/dbraw/zinc/67/04/60/650670460.db2.gz JBAXDGKFLIWIIL-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1nccc1C[N@@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000482901995 650670461 /nfs/dbraw/zinc/67/04/61/650670461.db2.gz JBAXDGKFLIWIIL-OAHLLOKOSA-N 1 1 388.295 2.444 20 0 GEADMO CCn1cc(C[N@@H+](CCO)CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000482903932 650670692 /nfs/dbraw/zinc/67/06/92/650670692.db2.gz QWCPTWMTCPSFQA-UHFFFAOYSA-N 1 1 395.301 2.489 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)c1cc(Br)cc2cccnc21 ZINC000527369241 650675034 /nfs/dbraw/zinc/67/50/34/650675034.db2.gz AGFXCKIPESMXJS-UHFFFAOYSA-N 1 1 378.270 2.449 20 0 GEADMO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ncc(Br)s1 ZINC000527958883 650683495 /nfs/dbraw/zinc/68/34/95/650683495.db2.gz XNROZTDTQYTHPK-IAQYHMDHSA-N 1 1 390.347 2.172 20 0 GEADMO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ncc(Br)s1 ZINC000527958876 650683588 /nfs/dbraw/zinc/68/35/88/650683588.db2.gz XNROZTDTQYTHPK-ABAIWWIYSA-N 1 1 390.347 2.172 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483869656 650682586 /nfs/dbraw/zinc/68/25/86/650682586.db2.gz IHEWWQPAJOQTPK-UHFFFAOYSA-N 1 1 385.649 2.362 20 0 GEADMO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527911240 650682819 /nfs/dbraw/zinc/68/28/19/650682819.db2.gz NZQHDNDDYSTRJJ-IUCAKERBSA-N 1 1 383.258 2.412 20 0 GEADMO C[C@@]1(Br)C[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000527914008 650682831 /nfs/dbraw/zinc/68/28/31/650682831.db2.gz ZJFOKWQLBXNDRV-IEBWSBKVSA-N 1 1 394.357 2.484 20 0 GEADMO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[NH+]3CCSCC3)cc2s1 ZINC000483906177 650682911 /nfs/dbraw/zinc/68/29/11/650682911.db2.gz LAEASLNHMVXKLY-UHFFFAOYSA-N 1 1 398.941 2.362 20 0 GEADMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528314498 650688605 /nfs/dbraw/zinc/68/86/05/650688605.db2.gz HOAZMHRLTDBEHP-LBPRGKRZSA-N 1 1 382.452 2.372 20 0 GEADMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000484721043 650689211 /nfs/dbraw/zinc/68/92/11/650689211.db2.gz WYTZWKQFUNAMSE-HNNXBMFYSA-N 1 1 387.933 2.287 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)C[C@H]1C ZINC000484753472 650689969 /nfs/dbraw/zinc/68/99/69/650689969.db2.gz OUYFPJSCRHVIMF-VXGBXAGGSA-N 1 1 390.527 2.037 20 0 GEADMO O=C(NCC1COC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000528020978 650684241 /nfs/dbraw/zinc/68/42/41/650684241.db2.gz IXVCDPLQUKGULQ-UHFFFAOYSA-N 1 1 382.302 2.359 20 0 GEADMO CNC(=O)NC[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CCO1 ZINC000528122541 650685448 /nfs/dbraw/zinc/68/54/48/650685448.db2.gz XUTAXSALXXEHRD-LBPRGKRZSA-N 1 1 379.258 2.132 20 0 GEADMO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000484973496 650691515 /nfs/dbraw/zinc/69/15/15/650691515.db2.gz GFYHUAHSJCJFFG-MRXNPFEDSA-N 1 1 392.283 2.207 20 0 GEADMO C[C@@H]1[C@H](NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCC[N@H+]1C ZINC000485074847 650692841 /nfs/dbraw/zinc/69/28/41/650692841.db2.gz CAFQYWSSEWWECQ-ZYHUDNBSSA-N 1 1 380.901 2.165 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000485304294 650695005 /nfs/dbraw/zinc/69/50/05/650695005.db2.gz QSOFUPTZETYAKL-ILXRZTDVSA-N 1 1 398.345 2.477 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)C1CC1 ZINC000485592911 650697801 /nfs/dbraw/zinc/69/78/01/650697801.db2.gz PJDQJTMBIGBWOB-UHFFFAOYSA-N 1 1 396.329 2.053 20 0 GEADMO COC(=O)C[C@@]1([NH2+]Cc2nc3ccc(Br)cc3n2C)CCOC1 ZINC000485811793 650700892 /nfs/dbraw/zinc/70/08/92/650700892.db2.gz IKUKRCBLBJAERF-INIZCTEOSA-N 1 1 382.258 2.148 20 0 GEADMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000485833577 650701233 /nfs/dbraw/zinc/70/12/33/650701233.db2.gz UINCBSWFEARMTI-INIZCTEOSA-N 1 1 384.274 2.394 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529291555 650702485 /nfs/dbraw/zinc/70/24/85/650702485.db2.gz OJNJRXYPIHESLS-HZSPNIEDSA-N 1 1 384.343 2.120 20 0 GEADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529291561 650702520 /nfs/dbraw/zinc/70/25/20/650702520.db2.gz OJNJRXYPIHESLS-MELADBBJSA-N 1 1 384.343 2.120 20 0 GEADMO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000485983664 650704522 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20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000487208031 650730489 /nfs/dbraw/zinc/73/04/89/650730489.db2.gz MAPCKXJPPPXVRJ-PHIMTYICSA-N 1 1 386.265 2.386 20 0 GEADMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000487208031 650730491 /nfs/dbraw/zinc/73/04/91/650730491.db2.gz MAPCKXJPPPXVRJ-PHIMTYICSA-N 1 1 386.265 2.386 20 0 GEADMO CCOc1c(Cl)cccc1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000487280089 650732090 /nfs/dbraw/zinc/73/20/90/650732090.db2.gz QPRAIFKBBMHBQR-OAHLLOKOSA-N 1 1 390.933 2.317 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487426000 650733438 /nfs/dbraw/zinc/73/34/38/650733438.db2.gz HEZSAOZSBKCUGV-SUMWQHHRSA-N 1 1 396.329 2.436 20 0 GEADMO CC[N@@H+](CCNC(=O)N(CCO)Cc1cccc(Br)c1)C1CC1 ZINC000487471611 650734353 /nfs/dbraw/zinc/73/43/53/650734353.db2.gz DVEDWIOAWXFXGZ-UHFFFAOYSA-N 1 1 384.318 2.437 20 0 GEADMO CCOC(=O)CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531333660 650736912 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CC[N@@H+](CCNS(=O)(=O)c1cc(N(C)C)ccc1Br)C1CC1 ZINC000161959633 644226886 /nfs/dbraw/zinc/22/68/86/644226886.db2.gz QQIHTQGHSONMTI-UHFFFAOYSA-N 1 1 390.347 2.278 20 0 GEADMO C[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000162419097 644236779 /nfs/dbraw/zinc/23/67/79/644236779.db2.gz IULARQUSTQVMSL-CYBMUJFWSA-N 1 1 396.329 2.221 20 0 GEADMO Cc1[nH]c(=O)c(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000163145111 644249909 /nfs/dbraw/zinc/24/99/09/644249909.db2.gz MXCBTKKVHSLBHC-NSHDSACASA-N 1 1 398.301 2.183 20 0 GEADMO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000163182589 644251275 /nfs/dbraw/zinc/25/12/75/644251275.db2.gz VNOWMMAIIPGKIT-ZDUSSCGKSA-N 1 1 398.301 2.185 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@@H]1C ZINC000163201110 644252261 /nfs/dbraw/zinc/25/22/61/644252261.db2.gz MZJVFQFYIXISQQ-PHIMTYICSA-N 1 1 386.290 2.039 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000163203741 644252667 /nfs/dbraw/zinc/25/26/67/644252667.db2.gz LRQJTKXPECLECL-UHFFFAOYSA-N 1 1 398.301 2.341 20 0 GEADMO Cc1nc(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c(C)s1 ZINC000163425439 644255429 /nfs/dbraw/zinc/25/54/29/644255429.db2.gz MAPZMFPZABMGCQ-UHFFFAOYSA-N 1 1 379.448 2.416 20 0 GEADMO C[N@H+]1CCC[C@@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@@H]21 ZINC000164645981 644267311 /nfs/dbraw/zinc/26/73/11/644267311.db2.gz CKXCBAHCNOJNKY-OCCSQVGLSA-N 1 1 392.297 2.352 20 0 GEADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000166062428 644272152 /nfs/dbraw/zinc/27/21/52/644272152.db2.gz ZYJJXSMUWZXGJY-UHFFFAOYSA-N 1 1 389.949 2.494 20 0 GEADMO CO[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000170820198 644289370 /nfs/dbraw/zinc/28/93/70/644289370.db2.gz FCVXBEPCXNSDEZ-MRXNPFEDSA-N 1 1 385.302 2.397 20 0 GEADMO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000173578533 644360139 /nfs/dbraw/zinc/36/01/39/644360139.db2.gz KMBGOSPUAJLGSJ-CQSZACIVSA-N 1 1 378.300 2.294 20 0 GEADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1Br ZINC000173740266 644360624 /nfs/dbraw/zinc/36/06/24/644360624.db2.gz REUMJWWDBZIYTH-WFASDCNBSA-N 1 1 383.286 2.439 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000174663662 644380210 /nfs/dbraw/zinc/38/02/10/644380210.db2.gz NECAKTQCNXQAIB-LLVKDONJSA-N 1 1 390.347 2.477 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543656264 650917299 /nfs/dbraw/zinc/91/72/99/650917299.db2.gz BCFLKQMSLUBEPG-INIZCTEOSA-N 1 1 390.281 2.382 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543658008 650917314 /nfs/dbraw/zinc/91/73/14/650917314.db2.gz SMGVQSCGVYXPSD-INIZCTEOSA-N 1 1 390.281 2.382 20 0 GEADMO CC[N@@H+](CCNC(=O)c1cccn2c(I)cnc12)C1CC1 ZINC000176861389 644406902 /nfs/dbraw/zinc/40/69/02/644406902.db2.gz SHBTWRSRBZXGEU-UHFFFAOYSA-N 1 1 398.248 2.153 20 0 GEADMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(-c2cccs2)n1 ZINC000179719408 644471048 /nfs/dbraw/zinc/47/10/48/644471048.db2.gz KYWXCZLZIQOIKE-OAHLLOKOSA-N 1 1 382.555 2.442 20 0 GEADMO Cc1nc(S(=O)(=O)N(C)CCCn2cc[nH+]c2C)sc1Br ZINC000180113025 644488338 /nfs/dbraw/zinc/48/83/38/644488338.db2.gz SPIZMKZLCCHUKC-UHFFFAOYSA-N 1 1 393.332 2.430 20 0 GEADMO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc2c1OCC2)NCc1ccccc1 ZINC000543988308 650929958 /nfs/dbraw/zinc/92/99/58/650929958.db2.gz JYBWCHSGULRQAH-UHFFFAOYSA-N 1 1 380.897 2.484 20 0 GEADMO CCNC(=O)CN1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000544070440 650932215 /nfs/dbraw/zinc/93/22/15/650932215.db2.gz ZPIOXSPWRWQKCU-UHFFFAOYSA-N 1 1 398.345 2.144 20 0 GEADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000544672119 650949495 /nfs/dbraw/zinc/94/94/95/650949495.db2.gz DTBLBPBMFJOASQ-QGZVFWFLSA-N 1 1 386.323 2.094 20 0 GEADMO Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@H+](C)C3CC3)nc12 ZINC000544681027 650949806 /nfs/dbraw/zinc/94/98/06/650949806.db2.gz PAXATZCMNJHWJS-UHFFFAOYSA-N 1 1 394.317 2.341 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1Br ZINC000183167499 644983354 /nfs/dbraw/zinc/98/33/54/644983354.db2.gz UDISLUSJSKEMOS-AOOOYVTPSA-N 1 1 375.288 2.023 20 0 GEADMO Cn1cc(C(C)(C)[NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)cn1 ZINC000545293068 650968216 /nfs/dbraw/zinc/96/82/16/650968216.db2.gz OWIKZSZEHJHQTN-UHFFFAOYSA-N 1 1 376.258 2.215 20 0 GEADMO C[N@H+]1CC[C@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)C1 ZINC000545301991 650968326 /nfs/dbraw/zinc/96/83/26/650968326.db2.gz GCLPUUUHZIMJHJ-ZDUSSCGKSA-N 1 1 384.293 2.184 20 0 GEADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1nc(C)cs1 ZINC000184420321 645017112 /nfs/dbraw/zinc/01/71/12/645017112.db2.gz SPUWFARRMWBUES-BXUZGUMPSA-N 1 1 382.511 2.167 20 0 GEADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185373026 645042864 /nfs/dbraw/zinc/04/28/64/645042864.db2.gz HSWJXGMGCAJEEH-GFCCVEGCSA-N 1 1 389.269 2.325 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000185416932 645044484 /nfs/dbraw/zinc/04/44/84/645044484.db2.gz OEOJCNLXVAXTAG-UHFFFAOYSA-N 1 1 396.289 2.071 20 0 GEADMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000185862396 645055325 /nfs/dbraw/zinc/05/53/25/645055325.db2.gz LGVUXQMLGKJVPN-CQSZACIVSA-N 1 1 380.334 2.212 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000185863404 645055339 /nfs/dbraw/zinc/05/53/39/645055339.db2.gz JPZNDSXPXJDMTF-LBPRGKRZSA-N 1 1 391.331 2.420 20 0 GEADMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000186759264 645074938 /nfs/dbraw/zinc/07/49/38/645074938.db2.gz SLDLFMJJJHEYHJ-JBLDHEPKSA-N 1 1 379.309 2.336 20 0 GEADMO CSc1cc(Br)ccc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000545492682 650976817 /nfs/dbraw/zinc/97/68/17/650976817.db2.gz KYDAYTWHNPEBRZ-UHFFFAOYSA-N 1 1 384.299 2.345 20 0 GEADMO COc1ccc(Br)c(CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188621179 645122394 /nfs/dbraw/zinc/12/23/94/645122394.db2.gz BJDOEIXFMSCORJ-ZDUSSCGKSA-N 1 1 399.329 2.304 20 0 GEADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000545862825 650982328 /nfs/dbraw/zinc/98/23/28/650982328.db2.gz BBECLKWBRKODGC-ZDUSSCGKSA-N 1 1 392.091 2.008 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000545862824 650982514 /nfs/dbraw/zinc/98/25/14/650982514.db2.gz BBECLKWBRKODGC-CYBMUJFWSA-N 1 1 392.091 2.008 20 0 GEADMO CNS(=O)(=O)CC[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000190307930 645150829 /nfs/dbraw/zinc/15/08/29/645150829.db2.gz LSNSDDJBDCKBEE-UHFFFAOYSA-N 1 1 377.297 2.126 20 0 GEADMO CNS(=O)(=O)CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000190307169 645151008 /nfs/dbraw/zinc/15/10/08/645151008.db2.gz LMKNEARMTXDIKE-UHFFFAOYSA-N 1 1 379.429 2.468 20 0 GEADMO COc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(Br)c1 ZINC000546019577 650987556 /nfs/dbraw/zinc/98/75/56/650987556.db2.gz BATUOJGWESLOKB-CYBMUJFWSA-N 1 1 384.318 2.214 20 0 GEADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000192434302 645205976 /nfs/dbraw/zinc/20/59/76/645205976.db2.gz CQGNGUQQCOXDLN-CYBMUJFWSA-N 1 1 396.310 2.055 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)c(F)cc3I)C[C@H]2C1 ZINC000192503602 645210275 /nfs/dbraw/zinc/21/02/75/645210275.db2.gz CJYICYLRQRYOGD-DTORHVGOSA-N 1 1 392.187 2.203 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)sc1C ZINC000192591129 645213012 /nfs/dbraw/zinc/21/30/12/645213012.db2.gz GYVXDPCAQYXVLM-JTQLQIEISA-N 1 1 378.523 2.323 20 0 GEADMO Cc1nc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)sc1C ZINC000192591129 645213018 /nfs/dbraw/zinc/21/30/18/645213018.db2.gz GYVXDPCAQYXVLM-JTQLQIEISA-N 1 1 378.523 2.323 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192933447 645232029 /nfs/dbraw/zinc/23/20/29/645232029.db2.gz ZURXDHVONIOTFW-LBPRGKRZSA-N 1 1 378.897 2.086 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192933447 645232036 /nfs/dbraw/zinc/23/20/36/645232036.db2.gz ZURXDHVONIOTFW-LBPRGKRZSA-N 1 1 378.897 2.086 20 0 GEADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000192933091 645232197 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O=C1[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)CCN1c1cccc(Br)c1 ZINC000579346470 652332950 /nfs/dbraw/zinc/33/29/50/652332950.db2.gz YEELQHFAZBBXIB-HZPDHXFCSA-N 1 1 390.285 2.483 20 0 GEADMO O=C1[C@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)CCN1c1cccc(Br)c1 ZINC000579346470 652332957 /nfs/dbraw/zinc/33/29/57/652332957.db2.gz YEELQHFAZBBXIB-HZPDHXFCSA-N 1 1 390.285 2.483 20 0 GEADMO O=C(CC[NH+]1CCOCC1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000751381164 652344096 /nfs/dbraw/zinc/34/40/96/652344096.db2.gz GLERCNCRGWUFCA-UHFFFAOYSA-N 1 1 397.313 2.293 20 0 GEADMO CN(C(=O)C(=O)NCc1csc(C(F)(F)F)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000625470269 652348005 /nfs/dbraw/zinc/34/80/05/652348005.db2.gz CWYXLVLBLBUMPV-LBPRGKRZSA-N 1 1 375.416 2.078 20 0 GEADMO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625478563 652348601 /nfs/dbraw/zinc/34/86/01/652348601.db2.gz DKWCTPSLSMYXSK-CQSZACIVSA-N 1 1 385.295 2.274 20 0 GEADMO O=C(NCCCO[C@H]1CCOC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659260599 652351087 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20 0 GEADMO C[C@H]1CN(Cc2c(Br)cncc2Br)CC[N@H+]1CCO ZINC000579774533 652353912 /nfs/dbraw/zinc/35/39/12/652353912.db2.gz XDIZIMGHLDARGB-JTQLQIEISA-N 1 1 393.123 2.105 20 0 GEADMO CC(C)C[C@H]1C(=O)NCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659315604 652354037 /nfs/dbraw/zinc/35/40/37/652354037.db2.gz SHCGZOHDANBERR-JTQLQIEISA-N 1 1 386.315 2.101 20 0 GEADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1CSCCS1 ZINC000751718261 652364978 /nfs/dbraw/zinc/36/49/78/652364978.db2.gz HYHPVTJLVXHGAZ-JKSUJKDBSA-N 1 1 388.599 2.491 20 0 GEADMO CO[C@H](C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@@H]1CCOC1 ZINC000659868056 652368463 /nfs/dbraw/zinc/36/84/63/652368463.db2.gz MLMHRRUDDJIKFO-NVXWUHKLSA-N 1 1 397.313 2.258 20 0 GEADMO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000625751225 652369314 /nfs/dbraw/zinc/36/93/14/652369314.db2.gz RQTAMWRVHJEVSQ-GHMZBOCLSA-N 1 1 381.261 2.317 20 0 GEADMO COCCOCC[N@@H+](CCO)Cc1cc(Br)cc2cccnc21 ZINC000625755123 652369429 /nfs/dbraw/zinc/36/94/29/652369429.db2.gz APPUVKGRZBOJDI-UHFFFAOYSA-N 1 1 383.286 2.455 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659898407 652370442 /nfs/dbraw/zinc/37/04/42/652370442.db2.gz DGBKCCMWGKXAKM-LBPRGKRZSA-N 1 1 389.257 2.437 20 0 GEADMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659898407 652370443 /nfs/dbraw/zinc/37/04/43/652370443.db2.gz DGBKCCMWGKXAKM-LBPRGKRZSA-N 1 1 389.257 2.437 20 0 GEADMO COCCc1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625795224 652371105 /nfs/dbraw/zinc/37/11/05/652371105.db2.gz SDLAPTZRQGQVPY-KRWDZBQOSA-N 1 1 396.285 2.031 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)c3ccccc3Br)CC2)C1 ZINC000752018761 652376462 /nfs/dbraw/zinc/37/64/62/652376462.db2.gz SIZHAYICDMPFAS-YJBOKZPZSA-N 1 1 382.346 2.194 20 0 GEADMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037821 652380560 /nfs/dbraw/zinc/38/05/60/652380560.db2.gz FTEBFCKAHXFMLD-WCQGTBRESA-N 1 1 391.693 2.038 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000626171154 652383893 /nfs/dbraw/zinc/38/38/93/652383893.db2.gz VWSNDPPNKUZNNE-LLVKDONJSA-N 1 1 379.295 2.349 20 0 GEADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000626171154 652383895 /nfs/dbraw/zinc/38/38/95/652383895.db2.gz VWSNDPPNKUZNNE-LLVKDONJSA-N 1 1 379.295 2.349 20 0 GEADMO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000580582291 652384736 /nfs/dbraw/zinc/38/47/36/652384736.db2.gz NTSVRAVBWVNYNF-GJZGRUSLSA-N 1 1 383.330 2.365 20 0 GEADMO Cc1cccc2cc(S(=O)(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)sc21 ZINC000660096363 652386538 /nfs/dbraw/zinc/38/65/38/652386538.db2.gz SHLLIWNMEHNEJH-MRXNPFEDSA-N 1 1 380.535 2.429 20 0 GEADMO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000660148893 652390456 /nfs/dbraw/zinc/39/04/56/652390456.db2.gz RZMWBBIQTUQVPJ-WDEREUQCSA-N 1 1 384.192 2.318 20 0 GEADMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000660148893 652390459 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Cc1[nH]nc(I)c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000895730352 653847981 /nfs/dbraw/zinc/84/79/81/653847981.db2.gz QXFZOFQSQBKTRZ-VHSXEESVSA-N 1 1 390.269 2.173 20 0 GEADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000823033746 653851117 /nfs/dbraw/zinc/85/11/17/653851117.db2.gz IJIKSNFWZBWBTF-LLVKDONJSA-N 1 1 376.400 2.194 20 0 GEADMO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866947998 653853501 /nfs/dbraw/zinc/85/35/01/653853501.db2.gz VEDVRVREYGNGKH-DEOSSOPVSA-N 1 1 385.511 2.045 20 0 GEADMO CNC(=O)C1([NH2+]Cc2cc(OC(F)F)ccc2Br)CCOCC1 ZINC000895884257 653855350 /nfs/dbraw/zinc/85/53/50/653855350.db2.gz IKSKOOFUSYRWBO-UHFFFAOYSA-N 1 1 393.228 2.435 20 0 GEADMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000895888735 653855663 /nfs/dbraw/zinc/85/56/63/653855663.db2.gz VZSDDRZZNNBFKF-UHFFFAOYSA-N 1 1 382.869 2.391 20 0 GEADMO CC[S@](C)(=O)=NS(=O)(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000866963308 653856430 /nfs/dbraw/zinc/85/64/30/653856430.db2.gz SIYJNAOGIXFENW-ISQRANHSSA-N 1 1 387.571 2.095 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845734704 653861353 /nfs/dbraw/zinc/86/13/53/653861353.db2.gz IIZSIUVDAQZRFE-UONOGXRCSA-N 1 1 386.539 2.317 20 0 GEADMO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845740530 653861638 /nfs/dbraw/zinc/86/16/38/653861638.db2.gz PAMKYIKEMMDNBW-TZMCWYRMSA-N 1 1 388.917 2.423 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1I ZINC000896073872 653863182 /nfs/dbraw/zinc/86/31/82/653863182.db2.gz RJYVEQWMBLLSFN-UHFFFAOYSA-N 1 1 392.285 2.313 20 0 GEADMO C[C@@H](NC(=O)c1ncoc1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000884096221 653863213 /nfs/dbraw/zinc/86/32/13/653863213.db2.gz NTZLGHAJVQQSKQ-MRVPVSSYSA-N 1 1 382.214 2.158 20 0 GEADMO CC[S@](C)(=O)=NS(=O)(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000867005393 653864069 /nfs/dbraw/zinc/86/40/69/653864069.db2.gz ZBABEVHXRKLJGQ-IIOOSLMMSA-N 1 1 387.571 2.239 20 0 GEADMO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H](N)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000884196193 653867464 /nfs/dbraw/zinc/86/74/64/653867464.db2.gz KHSDLRXZNLYNIE-CPUCHLNUSA-N 1 1 398.345 2.455 20 0 GEADMO N[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000884233181 653868940 /nfs/dbraw/zinc/86/89/40/653868940.db2.gz LEDQWLLURJEVRF-MRXNPFEDSA-N 1 1 375.270 2.193 20 0 GEADMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(Br)cnc1C1CC1 ZINC000823620424 653874226 /nfs/dbraw/zinc/87/42/26/653874226.db2.gz CJYZASKPZZZDAW-UHFFFAOYSA-N 1 1 380.286 2.315 20 0 GEADMO N[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000884433435 653876595 /nfs/dbraw/zinc/87/65/95/653876595.db2.gz JBRIATMGHVQIIC-RAIGVLPGSA-N 1 1 394.235 2.435 20 0 GEADMO N[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000884433437 653876795 /nfs/dbraw/zinc/87/67/95/653876795.db2.gz JBRIATMGHVQIIC-WXHSDQCUSA-N 1 1 394.235 2.435 20 0 GEADMO C[NH+](C)CCOCCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000867089804 653877148 /nfs/dbraw/zinc/87/71/48/653877148.db2.gz LORTZIPSIPSZAU-UHFFFAOYSA-N 1 1 391.287 2.052 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793695151 653882511 /nfs/dbraw/zinc/88/25/11/653882511.db2.gz YKYDXQFYSCSICC-LLVKDONJSA-N 1 1 379.498 2.224 20 0 GEADMO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1C[N@@H+](C)CCN1C ZINC000896532175 653882507 /nfs/dbraw/zinc/88/25/07/653882507.db2.gz AIOKOTIUXJYUTH-AFAVFJNCSA-N 1 1 380.330 2.229 20 0 GEADMO COc1ccc(CCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(Br)c1 ZINC000896532727 653882662 /nfs/dbraw/zinc/88/26/62/653882662.db2.gz VGODNXSZFFELKH-CXAGYDPISA-N 1 1 398.345 2.141 20 0 GEADMO COc1ccc(CCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(Br)c1 ZINC000896532727 653882664 /nfs/dbraw/zinc/88/26/64/653882664.db2.gz VGODNXSZFFELKH-CXAGYDPISA-N 1 1 398.345 2.141 20 0 GEADMO COc1ccc(CCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(Br)c1 ZINC000896532727 653882666 /nfs/dbraw/zinc/88/26/66/653882666.db2.gz VGODNXSZFFELKH-CXAGYDPISA-N 1 1 398.345 2.141 20 0 GEADMO C[C@@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@H]1C[N@@H+](C)CCN1C ZINC000896537475 653882947 /nfs/dbraw/zinc/88/29/47/653882947.db2.gz ZJTHGSCLVXPURV-MEBBXXQBSA-N 1 1 397.292 2.434 20 0 GEADMO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@@H+](C)CCN1C ZINC000896537438 653883216 /nfs/dbraw/zinc/88/32/16/653883216.db2.gz YQEPMKBUBRVKAG-DUVNUKRYSA-N 1 1 396.329 2.066 20 0 GEADMO C[N@@H+]1CCN(C(=O)c2ncc(Br)cn2)[C@@H](Cc2ccccc2)C1 ZINC000824009384 653883367 /nfs/dbraw/zinc/88/33/67/653883367.db2.gz MYTYKRQZSUHZCA-HNNXBMFYSA-N 1 1 375.270 2.238 20 0 GEADMO C[N@H+]1CCN(C(=O)c2ncc(Br)cn2)[C@@H](Cc2ccccc2)C1 ZINC000824009384 653883369 /nfs/dbraw/zinc/88/33/69/653883369.db2.gz MYTYKRQZSUHZCA-HNNXBMFYSA-N 1 1 375.270 2.238 20 0 GEADMO C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896539761 653883538 /nfs/dbraw/zinc/88/35/38/653883538.db2.gz BPGSDIUHZSEERV-LRDDRELGSA-N 1 1 398.320 2.370 20 0 GEADMO C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896539861 653883617 /nfs/dbraw/zinc/88/36/17/653883617.db2.gz BPGSDIUHZSEERV-WBMJQRKESA-N 1 1 398.320 2.370 20 0 GEADMO C[C@@H](NC(=O)CCc1cc(F)ccc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896547379 653884618 /nfs/dbraw/zinc/88/46/18/653884618.db2.gz DWMYJZYKYSOXKZ-MLGOLLRUSA-N 1 1 386.309 2.271 20 0 GEADMO C[C@@H](NC(=O)CCc1cc(F)ccc1Br)[C@H]1CN(C)CC[N@@H+]1C ZINC000896547379 653884625 /nfs/dbraw/zinc/88/46/25/653884625.db2.gz DWMYJZYKYSOXKZ-MLGOLLRUSA-N 1 1 386.309 2.271 20 0 GEADMO C[C@@H](NC(=O)CCc1cc(F)ccc1Br)[C@H]1CN(C)CC[N@H+]1C ZINC000896547379 653884630 /nfs/dbraw/zinc/88/46/30/653884630.db2.gz DWMYJZYKYSOXKZ-MLGOLLRUSA-N 1 1 386.309 2.271 20 0 GEADMO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000846174327 653888886 /nfs/dbraw/zinc/88/88/86/653888886.db2.gz WREOQYFWZNLSAO-UHFFFAOYSA-N 1 1 383.568 2.294 20 0 GEADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000846174327 653888888 /nfs/dbraw/zinc/88/88/88/653888888.db2.gz WREOQYFWZNLSAO-UHFFFAOYSA-N 1 1 383.568 2.294 20 0 GEADMO O=C(NCCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000846180573 653889840 /nfs/dbraw/zinc/88/98/40/653889840.db2.gz LZFOAZYVLJXGKH-LLVKDONJSA-N 1 1 382.251 2.296 20 0 GEADMO CC(C)n1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1I ZINC000867186070 653890212 /nfs/dbraw/zinc/89/02/12/653890212.db2.gz LQUAPCMZKRKIIS-QWRGUYRKSA-N 1 1 390.269 2.233 20 0 GEADMO CC(C)n1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1I ZINC000867186070 653890215 /nfs/dbraw/zinc/89/02/15/653890215.db2.gz LQUAPCMZKRKIIS-QWRGUYRKSA-N 1 1 390.269 2.233 20 0 GEADMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CCCO1 ZINC000867190533 653890771 /nfs/dbraw/zinc/89/07/71/653890771.db2.gz DNVBIGJDIBPPMP-LBPRGKRZSA-N 1 1 387.889 2.260 20 0 GEADMO CC[C@H](Sc1nc(CC(=O)OCC[C@@H]2CCCC[N@H+]2C)cs1)C(N)=O ZINC000884855229 653891560 /nfs/dbraw/zinc/89/15/60/653891560.db2.gz AOUFSHIRCBGNHZ-KBPBESRZSA-N 1 1 385.555 2.459 20 0 GEADMO CC[N@@H+](CCC(N)=O)Cc1cc(Br)cc(Br)c1N ZINC000896712667 653892172 /nfs/dbraw/zinc/89/21/72/653892172.db2.gz SNXPBAYLGQFCBW-UHFFFAOYSA-N 1 1 379.096 2.491 20 0 GEADMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000867201241 653893155 /nfs/dbraw/zinc/89/31/55/653893155.db2.gz FTFASNQGDQSIFP-PHIMTYICSA-N 1 1 385.283 2.377 20 0 GEADMO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884950725 653897020 /nfs/dbraw/zinc/89/70/20/653897020.db2.gz QOTWUHATZYWYQP-VXGBXAGGSA-N 1 1 389.880 2.343 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)c1cn(-c2ccccc2Br)nn1 ZINC000794117922 653897387 /nfs/dbraw/zinc/89/73/87/653897387.db2.gz FLELIATYNAETAZ-UHFFFAOYSA-N 1 1 376.258 2.022 20 0 GEADMO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000884951266 653897489 /nfs/dbraw/zinc/89/74/89/653897489.db2.gz AHNIIRKVTQOSHX-NXEZZACHSA-N 1 1 380.333 2.119 20 0 GEADMO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Br ZINC000884951266 653897490 /nfs/dbraw/zinc/89/74/90/653897490.db2.gz AHNIIRKVTQOSHX-NXEZZACHSA-N 1 1 380.333 2.119 20 0 GEADMO CC(C)(C)OC(=O)N1CC(n2cc(C[NH2+]C[C@H]3CC3(Cl)Cl)nn2)C1 ZINC000896909371 653898846 /nfs/dbraw/zinc/89/88/46/653898846.db2.gz QLJCNMXNSMNNFL-SNVBAGLBSA-N 1 1 376.288 2.353 20 0 GEADMO Cc1c(Br)cc(-c2noc(CCc3c[nH+]cn3C)n2)c(=O)n1C ZINC000896996715 653902573 /nfs/dbraw/zinc/90/25/73/653902573.db2.gz QSVMTHRUNUBOSB-UHFFFAOYSA-N 1 1 378.230 2.025 20 0 GEADMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000824678182 653904866 /nfs/dbraw/zinc/90/48/66/653904866.db2.gz OSGFNMFUZPJDTD-OAHLLOKOSA-N 1 1 384.933 2.311 20 0 GEADMO Nc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc(Br)n1 ZINC000824742926 653907103 /nfs/dbraw/zinc/90/71/03/653907103.db2.gz YKGFSDXFVWEPKS-CQSZACIVSA-N 1 1 375.270 2.431 20 0 GEADMO Nc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc(Br)n1 ZINC000824742926 653907108 /nfs/dbraw/zinc/90/71/08/653907108.db2.gz YKGFSDXFVWEPKS-CQSZACIVSA-N 1 1 375.270 2.431 20 0 GEADMO CN1CCN(c2ncnc3cc(F)c(Br)cc32)CC[N@@H+](C)CC1 ZINC000897095868 653907709 /nfs/dbraw/zinc/90/77/09/653907709.db2.gz 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Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805006733 654334053 /nfs/dbraw/zinc/33/40/53/654334053.db2.gz CTYIXIFNUYFYBR-UHFFFAOYSA-N 1 1 381.820 2.242 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000892215576 654334320 /nfs/dbraw/zinc/33/43/20/654334320.db2.gz YGNKALQLIHWGJE-SWLSCSKDSA-N 1 1 395.301 2.123 20 0 GEADMO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834597390 654337219 /nfs/dbraw/zinc/33/72/19/654337219.db2.gz GOAWZBQAICQZFV-NWDGAFQWSA-N 1 1 385.281 2.240 20 0 GEADMO CN1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+](C)CC1 ZINC000892270015 654337948 /nfs/dbraw/zinc/33/79/48/654337948.db2.gz BSIUXHFMHQPWGA-QGZVFWFLSA-N 1 1 395.345 2.325 20 0 GEADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc2onc(Cl)c2c1 ZINC000921912208 654340884 /nfs/dbraw/zinc/34/08/84/654340884.db2.gz VWFWWJWIJWUZRC-GFCCVEGCSA-N 1 1 385.873 2.013 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cccc(Br)n1 ZINC000872457778 654342053 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C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)nc1I ZINC000905313859 654349951 /nfs/dbraw/zinc/34/99/51/654349951.db2.gz BZOYRHSYGOQRSN-LLVKDONJSA-N 1 1 390.269 2.019 20 0 GEADMO O=C(NCc1c[nH+]c2n1CCCC2)c1csc(I)n1 ZINC000854395339 654357814 /nfs/dbraw/zinc/35/78/14/654357814.db2.gz FYXCFHJWWAQFPB-UHFFFAOYSA-N 1 1 388.234 2.211 20 0 GEADMO CCC[N@H+](C)[C@@H](CNC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451019 654358363 /nfs/dbraw/zinc/35/83/63/654358363.db2.gz CHNKPQMUTJNXNP-DOTOQJQBSA-N 1 1 390.908 2.366 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000905451019 654358366 /nfs/dbraw/zinc/35/83/66/654358366.db2.gz CHNKPQMUTJNXNP-DOTOQJQBSA-N 1 1 390.908 2.366 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000835135252 654363797 /nfs/dbraw/zinc/36/37/97/654363797.db2.gz UJEBLUWQAXDTPW-UHFFFAOYSA-N 1 1 397.317 2.472 20 0 GEADMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000854570508 654367494 /nfs/dbraw/zinc/36/74/94/654367494.db2.gz 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/nfs/dbraw/zinc/41/51/18/654415118.db2.gz SJOHJBNAACFTAY-CQSZACIVSA-N 1 1 379.917 2.440 20 0 GEADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000922852063 654416760 /nfs/dbraw/zinc/41/67/60/654416760.db2.gz GHMVNELFAQPYOO-ZDUSSCGKSA-N 1 1 384.322 2.166 20 0 GEADMO CN(Cc1nc(Br)c[nH]1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000893723768 654418186 /nfs/dbraw/zinc/41/81/86/654418186.db2.gz RBJMVKPWGYSGKB-KRWDZBQOSA-N 1 1 379.302 2.241 20 0 GEADMO Fc1ccc(I)c(F)c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939205 654420927 /nfs/dbraw/zinc/42/09/27/654420927.db2.gz CJGIRPRWAXTYLA-SECBINFHSA-N 1 1 383.176 2.465 20 0 GEADMO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000923126125 654427752 /nfs/dbraw/zinc/42/77/52/654427752.db2.gz HGRDAGSOWMFXJX-KGLIPLIRSA-N 1 1 382.306 2.397 20 0 GEADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cn1 ZINC000906352015 654430330 /nfs/dbraw/zinc/43/03/30/654430330.db2.gz ZCKDTKYLXFMTDM-NSHDSACASA-N 1 1 377.659 2.313 20 0 GEADMO CCn1ncc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1Br ZINC000873489786 654431285 /nfs/dbraw/zinc/43/12/85/654431285.db2.gz CGKKGUPACOZPTQ-UHFFFAOYSA-N 1 1 387.322 2.238 20 0 GEADMO C[N@H+]1C[C@H]2CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)[C@@H]2C1 ZINC000893936457 654432050 /nfs/dbraw/zinc/43/20/50/654432050.db2.gz WYZLHURSVZJTEK-GHMZBOCLSA-N 1 1 379.306 2.484 20 0 GEADMO CCn1c2ccc(Br)cc2nc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893999903 654437079 /nfs/dbraw/zinc/43/70/79/654437079.db2.gz KVNDISGIFTYQIB-UHFFFAOYSA-N 1 1 386.315 2.484 20 0 GEADMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3nc(Br)nn3C)CC2)c1 ZINC000894002529 654437778 /nfs/dbraw/zinc/43/77/78/654437778.db2.gz QPZVBFCBYXOHBW-CYBMUJFWSA-N 1 1 394.317 2.465 20 0 GEADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906447554 654438191 /nfs/dbraw/zinc/43/81/91/654438191.db2.gz GQOHUOOLDKGTMK-GFCCVEGCSA-N 1 1 382.302 2.407 20 0 GEADMO CO[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000906458823 654439954 /nfs/dbraw/zinc/43/99/54/654439954.db2.gz HXKRDNCZSCYWCU-GYSYKLTISA-N 1 1 389.315 2.178 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2I)C[C@@H]1C ZINC000894044392 654441736 /nfs/dbraw/zinc/44/17/36/654441736.db2.gz KAKSXNOKQYZPCJ-AAEUAGOBSA-N 1 1 376.286 2.329 20 0 GEADMO Cn1cc(CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(Br)n1 ZINC000923357676 654446481 /nfs/dbraw/zinc/44/64/81/654446481.db2.gz ZUULKVAUUSLDQT-OAHLLOKOSA-N 1 1 392.301 2.256 20 0 GEADMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1nc(Br)nn1C ZINC000894131441 654449147 /nfs/dbraw/zinc/44/91/47/654449147.db2.gz QTGJBQBSXVJGHK-UHFFFAOYSA-N 1 1 380.290 2.330 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906596740 654451852 /nfs/dbraw/zinc/45/18/52/654451852.db2.gz GVMCESPRXPNXDS-NSHDSACASA-N 1 1 392.244 2.163 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906596740 654451858 /nfs/dbraw/zinc/45/18/58/654451858.db2.gz GVMCESPRXPNXDS-NSHDSACASA-N 1 1 392.244 2.163 20 0 GEADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cc(Br)ccc1Cl ZINC000906601159 654452364 /nfs/dbraw/zinc/45/23/64/654452364.db2.gz FXTQAHQPFMGRDA-LBPRGKRZSA-N 1 1 388.737 2.397 20 0 GEADMO C[C@H](CNCc1cn(C)nc1I)[N@H+]1CCC[C@H](C)C1 ZINC000894176479 654453144 /nfs/dbraw/zinc/45/31/44/654453144.db2.gz LSSCDITWPRJKDI-NWDGAFQWSA-N 1 1 376.286 2.235 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873717333 654453551 /nfs/dbraw/zinc/45/35/51/654453551.db2.gz DTCMINDZARGMHA-UHFFFAOYSA-N 1 1 393.285 2.392 20 0 GEADMO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000906654690 654456840 /nfs/dbraw/zinc/45/68/40/654456840.db2.gz MFASLULYCZHRDH-CQSZACIVSA-N 1 1 380.286 2.254 20 0 GEADMO Cc1sc(=O)n(CC(=O)NCC[NH+]2CCSCC2)c1-c1ccccc1 ZINC000906659192 654457238 /nfs/dbraw/zinc/45/72/38/654457238.db2.gz BTSJSNLBIAVKHC-UHFFFAOYSA-N 1 1 377.535 2.050 20 0 GEADMO C[C@H]1CN(CC(=O)Nc2cccc(I)c2)CC[C@H]1C[NH3+] ZINC000923503172 654457341 /nfs/dbraw/zinc/45/73/41/654457341.db2.gz HMAYSEUMJZSTGN-RYUDHWBXSA-N 1 1 387.265 2.146 20 0 GEADMO 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720209880 /nfs/dbraw/zinc/20/98/80/720209880.db2.gz OHCMQFUYPQDINM-UHFFFAOYSA-N 1 1 380.855 2.076 20 0 GEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3ccccc3nn1)CCC2 ZINC001164814006 720223840 /nfs/dbraw/zinc/22/38/40/720223840.db2.gz QWEBAEAWYLULOL-UHFFFAOYSA-N 1 1 378.480 2.437 20 0 GEADMO Cc1nc2c(c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n1)CCC2 ZINC001164812918 720233136 /nfs/dbraw/zinc/23/31/36/720233136.db2.gz KJVWLMMCHCHYSR-UHFFFAOYSA-N 1 1 382.512 2.081 20 0 GEADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721791 720396679 /nfs/dbraw/zinc/39/66/79/720396679.db2.gz BBCWXGIOAOOTBQ-NWDGAFQWSA-N 1 1 393.278 2.131 20 0 GEADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721791 720396685 /nfs/dbraw/zinc/39/66/85/720396685.db2.gz BBCWXGIOAOOTBQ-NWDGAFQWSA-N 1 1 393.278 2.131 20 0 GEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834654 720504785 /nfs/dbraw/zinc/50/47/85/720504785.db2.gz 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396.539 2.406 20 0 GEADMO FC(F)(c1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739675 720613766 /nfs/dbraw/zinc/61/37/66/720613766.db2.gz GHSAWLQJZIAYJY-QWHCGFSZSA-N 1 1 381.814 2.412 20 0 GEADMO FC(F)(c1cccc(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739675 720613771 /nfs/dbraw/zinc/61/37/71/720613771.db2.gz GHSAWLQJZIAYJY-QWHCGFSZSA-N 1 1 381.814 2.412 20 0 GEADMO Cc1cc(C(N)=O)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836237 720640598 /nfs/dbraw/zinc/64/05/98/720640598.db2.gz FLBIGEKLMXXJPT-IPMKNSEASA-N 1 1 382.512 2.063 20 0 GEADMO c1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164742350 720644741 /nfs/dbraw/zinc/64/47/41/720644741.db2.gz MVHYRDAYGPPCOO-WMZOPIPTSA-N 1 1 390.447 2.401 20 0 GEADMO c1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164742341 720645403 /nfs/dbraw/zinc/64/54/03/720645403.db2.gz MVHYRDAYGPPCOO-AEFFLSMTSA-N 1 1 390.447 2.401 20 0 GEADMO 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DDJQKWWUQULJOV-LSDHHAIUSA-N 1 1 380.477 2.337 20 0 GEADMO CC(C)n1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743461 720747325 /nfs/dbraw/zinc/74/73/25/720747325.db2.gz QFQXSMAZUISDHE-HOTGVXAUSA-N 1 1 379.468 2.144 20 0 GEADMO c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cs1 ZINC001164745504 720797104 /nfs/dbraw/zinc/79/71/04/720797104.db2.gz KPUGHWPKFOKJEH-HOTGVXAUSA-N 1 1 380.477 2.337 20 0 GEADMO Cc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1C ZINC001164744856 720799580 /nfs/dbraw/zinc/79/95/80/720799580.db2.gz IUNQMZPMTPVJCP-SJORKVTESA-N 1 1 376.464 2.379 20 0 GEADMO CCc1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164750595 720803100 /nfs/dbraw/zinc/80/31/00/720803100.db2.gz WFKZGXWCLVZTNH-VXGBXAGGSA-N 1 1 395.294 2.478 20 0 GEADMO Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742784 720807879 /nfs/dbraw/zinc/80/78/79/720807879.db2.gz DWLZMFXRGPLWCQ-YESZJQIVSA-N 1 1 387.919 2.409 20 0 GEADMO c1ncn(C[C@H]2C[C@H]3CN(c4nccc(NC5CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745471 720808800 /nfs/dbraw/zinc/80/88/00/720808800.db2.gz KOZRWLRGLBLHPX-QXAKKESOSA-N 1 1 394.527 2.022 20 0 GEADMO CN(C)c1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752587 720814148 /nfs/dbraw/zinc/81/41/48/720814148.db2.gz ZHCJFADWIIXHPP-CEXWTWQISA-N 1 1 381.528 2.119 20 0 GEADMO CN(C)c1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752587 720814149 /nfs/dbraw/zinc/81/41/49/720814149.db2.gz ZHCJFADWIIXHPP-CEXWTWQISA-N 1 1 381.528 2.119 20 0 GEADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CCCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745585 720824409 /nfs/dbraw/zinc/82/44/09/720824409.db2.gz WWWLLMUOYLEYMT-WAOWUJCRSA-N 1 1 393.539 2.326 20 0 GEADMO COc1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741275 720826915 /nfs/dbraw/zinc/82/69/15/720826915.db2.gz MZVCATDIGCYGJH-IPMKNSEASA-N 1 1 382.512 2.370 20 0 GEADMO 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GEADMO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[N@@H+](C)C1CC1 ZINC000179535915 532235083 /nfs/dbraw/zinc/23/50/83/532235083.db2.gz UQKKMAJVTYQBKL-SNVBAGLBSA-N 1 1 389.315 2.065 20 0 GEADMO CCOCC[NH+]1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000133685224 532240464 /nfs/dbraw/zinc/24/04/64/532240464.db2.gz LVEOCVTWXOOLKU-HNNXBMFYSA-N 1 1 383.286 2.106 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000133861599 532244651 /nfs/dbraw/zinc/24/46/51/532244651.db2.gz QJZVUMVXCRGNGA-ZDUSSCGKSA-N 1 1 388.917 2.479 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000179826623 532245887 /nfs/dbraw/zinc/24/58/87/532245887.db2.gz SARYWYPTVJTSQI-UHFFFAOYSA-N 1 1 390.228 2.218 20 0 GEADMO O=C(Cc1cc(Br)ccc1F)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000133925507 532246098 /nfs/dbraw/zinc/24/60/98/532246098.db2.gz PCNJORQBIXQQTB-OAHLLOKOSA-N 1 1 387.293 2.484 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000179891864 532249066 /nfs/dbraw/zinc/24/90/66/532249066.db2.gz MBVKULNRJBFYCX-OCCSQVGLSA-N 1 1 395.301 2.034 20 0 GEADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179903088 532250339 /nfs/dbraw/zinc/25/03/39/532250339.db2.gz CVXVOHRVFLWCLI-UHFFFAOYSA-N 1 1 394.273 2.145 20 0 GEADMO O=C(Cc1ccc(Br)c(F)c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000134157998 532250589 /nfs/dbraw/zinc/25/05/89/532250589.db2.gz JFQXPYJCXLELCK-CQSZACIVSA-N 1 1 387.293 2.484 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000180385436 532270595 /nfs/dbraw/zinc/27/05/95/532270595.db2.gz ZQKPEHOZQYWYLA-LBPRGKRZSA-N 1 1 399.285 2.167 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000180385436 532270599 /nfs/dbraw/zinc/27/05/99/532270599.db2.gz ZQKPEHOZQYWYLA-LBPRGKRZSA-N 1 1 399.285 2.167 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000135381754 532272023 /nfs/dbraw/zinc/27/20/23/532272023.db2.gz HPLZXTIBWAPDJT-ABAIWWIYSA-N 1 1 399.285 2.022 20 0 GEADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045808 532255291 /nfs/dbraw/zinc/25/52/91/532255291.db2.gz DTFGZZUHCSPPGS-JTQLQIEISA-N 1 1 390.228 2.266 20 0 GEADMO COc1ccc(Br)cc1[C@H]1CCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000180462259 532272108 /nfs/dbraw/zinc/27/21/08/532272108.db2.gz AESKBCZCFXGSRV-MRXNPFEDSA-N 1 1 396.329 2.369 20 0 GEADMO Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1Br ZINC000180105356 532257894 /nfs/dbraw/zinc/25/78/94/532257894.db2.gz XIJYUPYJCZSXHB-VHSXEESVSA-N 1 1 382.349 2.365 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000135666552 532277860 /nfs/dbraw/zinc/27/78/60/532277860.db2.gz YFLKIDWDQYVSNB-MRXNPFEDSA-N 1 1 385.917 2.169 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)ccc2Br)[C@@H](C)C1 ZINC000180828142 532282651 /nfs/dbraw/zinc/28/26/51/532282651.db2.gz SZKFQWWAXVVMLA-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)ccc2Br)[C@@H](C)C1 ZINC000180828142 532282657 /nfs/dbraw/zinc/28/26/57/532282657.db2.gz SZKFQWWAXVVMLA-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H](C)C1 ZINC000180875922 532284988 /nfs/dbraw/zinc/28/49/88/532284988.db2.gz FONSXDLDBJRWFI-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H](C)C1 ZINC000180875922 532284992 /nfs/dbraw/zinc/28/49/92/532284992.db2.gz FONSXDLDBJRWFI-ZDUSSCGKSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000135378243 532272604 /nfs/dbraw/zinc/27/26/04/532272604.db2.gz FCXFSEJZXAYQAI-XHDPSFHLSA-N 1 1 399.285 2.022 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000180475075 532273134 /nfs/dbraw/zinc/27/31/34/532273134.db2.gz HMBNRGXSJVMRNT-AWEZNQCLSA-N 1 1 384.318 2.349 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000180475075 532273139 /nfs/dbraw/zinc/27/31/39/532273139.db2.gz HMBNRGXSJVMRNT-AWEZNQCLSA-N 1 1 384.318 2.349 20 0 GEADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000141382212 532295138 /nfs/dbraw/zinc/29/51/38/532295138.db2.gz UDHLNMOLIIDMAZ-NSHDSACASA-N 1 1 384.889 2.283 20 0 GEADMO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141683643 532295576 /nfs/dbraw/zinc/29/55/76/532295576.db2.gz PDPLOSOUYOGPOZ-ZDUSSCGKSA-N 1 1 376.400 2.290 20 0 GEADMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc(Br)s2)cn1 ZINC000181407705 532297775 /nfs/dbraw/zinc/29/77/75/532297775.db2.gz VVJUGSYDVVEOBM-MASHWEEQSA-N 1 1 381.299 2.430 20 0 GEADMO O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)s1 ZINC000181472936 532299517 /nfs/dbraw/zinc/29/95/17/532299517.db2.gz ZHFOAILPRUWGST-AWEZNQCLSA-N 1 1 386.926 2.447 20 0 GEADMO CC(C)([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccccc1Br ZINC000181516962 532300259 /nfs/dbraw/zinc/30/02/59/532300259.db2.gz OEHWGOXAQNIWOW-UHFFFAOYSA-N 1 1 382.302 2.012 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150716451 532301405 /nfs/dbraw/zinc/30/14/05/532301405.db2.gz RFOSTUDQDFQRAL-UONOGXRCSA-N 1 1 385.302 2.301 20 0 GEADMO O=C(CC(=O)NCC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000181943200 532307924 /nfs/dbraw/zinc/30/79/24/532307924.db2.gz MVQJRPTWTPVARG-LBPRGKRZSA-N 1 1 377.432 2.145 20 0 GEADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)c1 ZINC000181938392 532308082 /nfs/dbraw/zinc/30/80/82/532308082.db2.gz AINOQBXQRHIPBT-CHWSQXEVSA-N 1 1 381.523 2.184 20 0 GEADMO C[N@H+](CCC(=O)NC1CCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181063513 532289973 /nfs/dbraw/zinc/28/99/73/532289973.db2.gz LICZDBMRJXZNII-INIZCTEOSA-N 1 1 382.302 2.356 20 0 GEADMO C[N@@H+](CCC(=O)NC1CCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181063513 532289977 /nfs/dbraw/zinc/28/99/77/532289977.db2.gz LICZDBMRJXZNII-INIZCTEOSA-N 1 1 382.302 2.356 20 0 GEADMO COC(=O)CC[N@H+]1CCN(CCOc2ccccc2Br)[C@H](C)C1 ZINC000182095937 532309049 /nfs/dbraw/zinc/30/90/49/532309049.db2.gz YSCUWCWDKNQIQH-CQSZACIVSA-N 1 1 385.302 2.397 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000182651969 532316185 /nfs/dbraw/zinc/31/61/85/532316185.db2.gz LKTURIWRBBWWHC-VHSXEESVSA-N 1 1 378.288 2.304 20 0 GEADMO COc1nc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)ncc1Br ZINC000182833894 532318386 /nfs/dbraw/zinc/31/83/86/532318386.db2.gz YNVSOIKEUHTXGC-UHFFFAOYSA-N 1 1 393.285 2.062 20 0 GEADMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000182964616 532319817 /nfs/dbraw/zinc/31/98/17/532319817.db2.gz HRDRMGZCFIPSCJ-INIZCTEOSA-N 1 1 390.355 2.302 20 0 GEADMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000182964616 532319819 /nfs/dbraw/zinc/31/98/19/532319819.db2.gz HRDRMGZCFIPSCJ-INIZCTEOSA-N 1 1 390.355 2.302 20 0 GEADMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183120069 532321635 /nfs/dbraw/zinc/32/16/35/532321635.db2.gz HUPDCAZZAPFMLJ-NSHDSACASA-N 1 1 396.285 2.242 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000185804367 532338780 /nfs/dbraw/zinc/33/87/80/532338780.db2.gz LFUVTCXHRFVWIY-LBPRGKRZSA-N 1 1 391.331 2.420 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000185934690 532339179 /nfs/dbraw/zinc/33/91/79/532339179.db2.gz DMYMPCKLVLIJAU-JQWIXIFHSA-N 1 1 389.315 2.361 20 0 GEADMO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187256869 532343733 /nfs/dbraw/zinc/34/37/33/532343733.db2.gz VMVUWZONLKSMER-ZDUSSCGKSA-N 1 1 394.313 2.237 20 0 GEADMO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187256869 532343734 /nfs/dbraw/zinc/34/37/34/532343734.db2.gz VMVUWZONLKSMER-ZDUSSCGKSA-N 1 1 394.313 2.237 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186459603 532340862 /nfs/dbraw/zinc/34/08/62/532340862.db2.gz ZCGPEZCYMKWLAR-WCQYABFASA-N 1 1 378.416 2.224 20 0 GEADMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000186686404 532341608 /nfs/dbraw/zinc/34/16/08/532341608.db2.gz XRSWXGCCDCVLQC-BBRMVZONSA-N 1 1 378.897 2.306 20 0 GEADMO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)n1 ZINC000186719903 532341835 /nfs/dbraw/zinc/34/18/35/532341835.db2.gz KXEWXSYCICZQPD-LBPRGKRZSA-N 1 1 385.306 2.461 20 0 GEADMO CC(C)Oc1cc(Br)cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000186812003 532342058 /nfs/dbraw/zinc/34/20/58/532342058.db2.gz GXFRXZCSCLYIER-CYBMUJFWSA-N 1 1 385.302 2.375 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186887455 532342529 /nfs/dbraw/zinc/34/25/29/532342529.db2.gz VHBOOLGXCLASBQ-UHFFFAOYSA-N 1 1 387.868 2.433 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000186928525 532342611 /nfs/dbraw/zinc/34/26/11/532342611.db2.gz SWMMUCLVNRDCCU-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000187098371 532343096 /nfs/dbraw/zinc/34/30/96/532343096.db2.gz KZSZDRIWMOKKBP-LBPRGKRZSA-N 1 1 388.306 2.132 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000187113183 532343229 /nfs/dbraw/zinc/34/32/29/532343229.db2.gz QMQHGGSLALNCAJ-UHFFFAOYSA-N 1 1 386.265 2.388 20 0 GEADMO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl ZINC000183753535 532328984 /nfs/dbraw/zinc/32/89/84/532328984.db2.gz DPYHZXGJLSRSPH-OUAUKWLOSA-N 1 1 379.309 2.336 20 0 GEADMO O=C(C[NH+]1CCC(Oc2cccc(Br)c2)CC1)NC(=O)NC1CC1 ZINC000183819660 532329279 /nfs/dbraw/zinc/32/92/79/532329279.db2.gz OALMLUQNOKWZHM-UHFFFAOYSA-N 1 1 396.285 2.281 20 0 GEADMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)NC(=O)NC1CCCCC1 ZINC000183913390 532329951 /nfs/dbraw/zinc/32/99/51/532329951.db2.gz IYEQLLSVMZQEEY-HNNXBMFYSA-N 1 1 398.301 2.231 20 0 GEADMO COc1ccc(Br)cc1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184312101 532331939 /nfs/dbraw/zinc/33/19/39/532331939.db2.gz MAXTWAGNUKXLOL-AWEZNQCLSA-N 1 1 398.345 2.142 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000187229415 532343576 /nfs/dbraw/zinc/34/35/76/532343576.db2.gz ZPKRJFGZLLXDLK-MRXNPFEDSA-N 1 1 388.961 2.460 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000187229415 532343577 /nfs/dbraw/zinc/34/35/77/532343577.db2.gz ZPKRJFGZLLXDLK-MRXNPFEDSA-N 1 1 388.961 2.460 20 0 GEADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187822978 532345754 /nfs/dbraw/zinc/34/57/54/532345754.db2.gz HMAPOPMULYPHKO-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000187822978 532345755 /nfs/dbraw/zinc/34/57/55/532345755.db2.gz HMAPOPMULYPHKO-LLVKDONJSA-N 1 1 388.295 2.236 20 0 GEADMO Cn1cc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)c(=O)n(C)c1=O ZINC000187990417 532346198 /nfs/dbraw/zinc/34/61/98/532346198.db2.gz HNSBRXYZSJRZKJ-UHFFFAOYSA-N 1 1 392.297 2.259 20 0 GEADMO CCC(CC)[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1)[NH+](C)C ZINC000188210321 532347370 /nfs/dbraw/zinc/34/73/70/532347370.db2.gz VDIMLYIEENAOQQ-KRWDZBQOSA-N 1 1 390.571 2.125 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188665957 532349010 /nfs/dbraw/zinc/34/90/10/532349010.db2.gz JSSAMSVAVGYSJK-CQSZACIVSA-N 1 1 381.314 2.396 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188714278 532349143 /nfs/dbraw/zinc/34/91/43/532349143.db2.gz HVVNSLFTWMXVNW-ZIAGYGMSSA-N 1 1 385.302 2.050 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(Br)c1 ZINC000188714278 532349144 /nfs/dbraw/zinc/34/91/44/532349144.db2.gz HVVNSLFTWMXVNW-ZIAGYGMSSA-N 1 1 385.302 2.050 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1CCO ZINC000188698947 532349156 /nfs/dbraw/zinc/34/91/56/532349156.db2.gz SBFGNVGDDSUIJX-AWEZNQCLSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC[N@H+]1CCO ZINC000188698947 532349157 /nfs/dbraw/zinc/34/91/57/532349157.db2.gz SBFGNVGDDSUIJX-AWEZNQCLSA-N 1 1 381.314 2.396 20 0 GEADMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC[N@@H+]1CCO ZINC000188734663 532349459 /nfs/dbraw/zinc/34/94/59/532349459.db2.gz HOVWMALJHKXUHM-GFCCVEGCSA-N 1 1 383.279 2.318 20 0 GEADMO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC[N@H+]1CCO ZINC000188734663 532349460 /nfs/dbraw/zinc/34/94/60/532349460.db2.gz HOVWMALJHKXUHM-GFCCVEGCSA-N 1 1 383.279 2.318 20 0 GEADMO C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CC[N@@H+]1CCO ZINC000188767067 532349532 /nfs/dbraw/zinc/34/95/32/532349532.db2.gz VTVZYRYLMALGOH-GFCCVEGCSA-N 1 1 375.332 2.358 20 0 GEADMO C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CC[N@H+]1CCO ZINC000188767067 532349533 /nfs/dbraw/zinc/34/95/33/532349533.db2.gz VTVZYRYLMALGOH-GFCCVEGCSA-N 1 1 375.332 2.358 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188866893 532349795 /nfs/dbraw/zinc/34/97/95/532349795.db2.gz HJQQAIYCBPYZKN-GFCCVEGCSA-N 1 1 386.290 2.378 20 0 GEADMO CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188866893 532349796 /nfs/dbraw/zinc/34/97/96/532349796.db2.gz HJQQAIYCBPYZKN-GFCCVEGCSA-N 1 1 386.290 2.378 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000188902345 532350171 /nfs/dbraw/zinc/35/01/71/532350171.db2.gz XBELAIGITBGWHA-CYBMUJFWSA-N 1 1 382.302 2.496 20 0 GEADMO CC[N@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000189122628 532350920 /nfs/dbraw/zinc/35/09/20/532350920.db2.gz FUSZNJSEXCRYHU-CYBMUJFWSA-N 1 1 380.279 2.476 20 0 GEADMO CC[N@@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000189122628 532350921 /nfs/dbraw/zinc/35/09/21/532350921.db2.gz FUSZNJSEXCRYHU-CYBMUJFWSA-N 1 1 380.279 2.476 20 0 GEADMO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000189149188 532351075 /nfs/dbraw/zinc/35/10/75/532351075.db2.gz QEOQDVFNYVXZFK-CHWSQXEVSA-N 1 1 384.318 2.271 20 0 GEADMO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000189287559 532351647 /nfs/dbraw/zinc/35/16/47/532351647.db2.gz BSPSRGARMKILRZ-JQWIXIFHSA-N 1 1 391.693 2.053 20 0 GEADMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000189287559 532351648 /nfs/dbraw/zinc/35/16/48/532351648.db2.gz BSPSRGARMKILRZ-JQWIXIFHSA-N 1 1 391.693 2.053 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000189385461 532351982 /nfs/dbraw/zinc/35/19/82/532351982.db2.gz UUVCHNMLUIRBGB-GFCCVEGCSA-N 1 1 386.290 2.296 20 0 GEADMO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000189385461 532351983 /nfs/dbraw/zinc/35/19/83/532351983.db2.gz UUVCHNMLUIRBGB-GFCCVEGCSA-N 1 1 386.290 2.296 20 0 GEADMO Cc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1I ZINC000189424974 532352142 /nfs/dbraw/zinc/35/21/42/532352142.db2.gz UXHHYZZBJUNWJP-UHFFFAOYSA-N 1 1 388.249 2.052 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)NCC[N@H+]2CCCOCC2)c(Br)c1 ZINC000189422444 532352145 /nfs/dbraw/zinc/35/21/45/532352145.db2.gz GQDHFLLXRROSGC-CQSZACIVSA-N 1 1 385.302 2.363 20 0 GEADMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000189661992 532353154 /nfs/dbraw/zinc/35/31/54/532353154.db2.gz QEOKPGCXVQHQDN-HNNXBMFYSA-N 1 1 388.249 2.467 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000189635683 532353178 /nfs/dbraw/zinc/35/31/78/532353178.db2.gz OGJUQUGGRNLHEA-UHFFFAOYSA-N 1 1 390.908 2.353 20 0 GEADMO COCCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000189675345 532353205 /nfs/dbraw/zinc/35/32/05/532353205.db2.gz GEZJBZZUDRSPSG-OAHLLOKOSA-N 1 1 385.302 2.145 20 0 GEADMO COCCO[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000189675345 532353206 /nfs/dbraw/zinc/35/32/06/532353206.db2.gz GEZJBZZUDRSPSG-OAHLLOKOSA-N 1 1 385.302 2.145 20 0 GEADMO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000189690721 532353250 /nfs/dbraw/zinc/35/32/50/532353250.db2.gz XYDKFQUGIBCHLX-UHFFFAOYSA-N 1 1 376.881 2.106 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000189736315 532353454 /nfs/dbraw/zinc/35/34/54/532353454.db2.gz GIXXSXOVICJFMW-AWEZNQCLSA-N 1 1 381.314 2.396 20 0 GEADMO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000189881706 532353924 /nfs/dbraw/zinc/35/39/24/532353924.db2.gz KPLLXOZYONQIEL-ZDUSSCGKSA-N 1 1 390.443 2.230 20 0 GEADMO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000189881706 532353925 /nfs/dbraw/zinc/35/39/25/532353925.db2.gz KPLLXOZYONQIEL-ZDUSSCGKSA-N 1 1 390.443 2.230 20 0 GEADMO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)CC[N@H+]1CC(C)(C)O ZINC000189889150 532353959 /nfs/dbraw/zinc/35/39/59/532353959.db2.gz PJKOTACZJQRNMA-CYBMUJFWSA-N 1 1 399.329 2.497 20 0 GEADMO C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1CCO ZINC000190248072 532355379 /nfs/dbraw/zinc/35/53/79/532355379.db2.gz OVVNYUUCVRVELF-ZDUSSCGKSA-N 1 1 385.302 2.109 20 0 GEADMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000190362328 532355727 /nfs/dbraw/zinc/35/57/27/532355727.db2.gz BRAXDEBHRGWGLW-MNOVXSKESA-N 1 1 377.268 2.370 20 0 GEADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000191135736 532359742 /nfs/dbraw/zinc/35/97/42/532359742.db2.gz PNCRIZIECFGKMG-UHFFFAOYSA-N 1 1 390.228 2.218 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000187281100 532343959 /nfs/dbraw/zinc/34/39/59/532343959.db2.gz ARCMOYSLCWTPEO-UHFFFAOYSA-N 1 1 387.977 2.249 20 0 GEADMO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ncc(Br)cc1F ZINC000187396284 532344369 /nfs/dbraw/zinc/34/43/69/532344369.db2.gz FTQHPCLDZMKGOW-MWLCHTKSSA-N 1 1 380.283 2.058 20 0 GEADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2nnc(C(F)(F)F)s2)C1 ZINC000187420086 532344482 /nfs/dbraw/zinc/34/44/82/532344482.db2.gz BWZMZOVOPPOGNH-SNVBAGLBSA-N 1 1 398.476 2.122 20 0 GEADMO CC[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCOC1 ZINC000463435158 532372294 /nfs/dbraw/zinc/37/22/94/532372294.db2.gz HJLIOYCHWAHFMH-CQSZACIVSA-N 1 1 387.311 2.148 20 0 GEADMO CC[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@H](C)OC ZINC000463420684 532372487 /nfs/dbraw/zinc/37/24/87/532372487.db2.gz VHVGUMUJVYVIGW-ZDUSSCGKSA-N 1 1 389.327 2.394 20 0 GEADMO C[N@H+](CCc1cccc(Br)c1)CCn1nc2ccccn2c1=O ZINC000463420364 532372685 /nfs/dbraw/zinc/37/26/85/532372685.db2.gz RMEQDPOUDQPFJH-UHFFFAOYSA-N 1 1 375.270 2.433 20 0 GEADMO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000463436388 532372857 /nfs/dbraw/zinc/37/28/57/532372857.db2.gz NOQXZUAPZTZCDG-OAHLLOKOSA-N 1 1 385.302 2.397 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)N(C)C ZINC000294659252 532373586 /nfs/dbraw/zinc/37/35/86/532373586.db2.gz CNDHQLCSIYRWGQ-LBPRGKRZSA-N 1 1 386.334 2.392 20 0 GEADMO O=C(c1ccc(Br)cc1O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590496726 532374404 /nfs/dbraw/zinc/37/44/04/532374404.db2.gz MVTAYBCSCZVXIE-AWEZNQCLSA-N 1 1 383.286 2.482 20 0 GEADMO O=C(c1ccc(Br)cc1O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000590496726 532374412 /nfs/dbraw/zinc/37/44/12/532374412.db2.gz MVTAYBCSCZVXIE-AWEZNQCLSA-N 1 1 383.286 2.482 20 0 GEADMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000191937791 532374629 /nfs/dbraw/zinc/37/46/29/532374629.db2.gz KPORRJUOHSKQMX-NSHDSACASA-N 1 1 386.265 2.436 20 0 GEADMO COc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1Br ZINC000425215606 532374628 /nfs/dbraw/zinc/37/46/28/532374628.db2.gz OCCZDKXNMYFMJA-SMDDNHRTSA-N 1 1 389.315 2.172 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000294659799 532374627 /nfs/dbraw/zinc/37/46/27/532374627.db2.gz BZQLUPNXKLPQLF-YVEFUNNKSA-N 1 1 385.302 2.309 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000294659799 532374634 /nfs/dbraw/zinc/37/46/34/532374634.db2.gz BZQLUPNXKLPQLF-YVEFUNNKSA-N 1 1 385.302 2.309 20 0 GEADMO Cn1ncc(Br)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000294685740 532375512 /nfs/dbraw/zinc/37/55/12/532375512.db2.gz AFOLSTSRWAXFIV-UHFFFAOYSA-N 1 1 377.286 2.361 20 0 GEADMO O=C(c1cc(Br)cc2nc[nH]c21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516086049 532377872 /nfs/dbraw/zinc/37/78/72/532377872.db2.gz VDKCXVCRXAZACH-UHFFFAOYSA-N 1 1 375.230 2.011 20 0 GEADMO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000462956674 532362409 /nfs/dbraw/zinc/36/24/09/532362409.db2.gz HGPXQRXTSZZCSL-VXGBXAGGSA-N 1 1 394.331 2.294 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000557415051 532362696 /nfs/dbraw/zinc/36/26/96/532362696.db2.gz MJVDTBDQNXMPDV-CYBMUJFWSA-N 1 1 382.302 2.495 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000557381218 532363206 /nfs/dbraw/zinc/36/32/06/532363206.db2.gz SPCMTEPQDMCRPC-ZDUSSCGKSA-N 1 1 396.329 2.180 20 0 GEADMO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000589892736 532363493 /nfs/dbraw/zinc/36/34/93/532363493.db2.gz DLKPNTVLWWZJIA-OAHLLOKOSA-N 1 1 386.901 2.279 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(Br)c[nH]c2=O)C[C@H](C)O1 ZINC000621723896 532365945 /nfs/dbraw/zinc/36/59/45/532365945.db2.gz ULEPIBFDMXONRY-MBNYWOFBSA-N 1 1 398.301 2.264 20 0 GEADMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)cc2I)[C@@H](C)C1 ZINC000557525744 532366677 /nfs/dbraw/zinc/36/66/77/532366677.db2.gz MAKNCUCNTZHIEE-NSHDSACASA-N 1 1 388.249 2.466 20 0 GEADMO CC[N@H+]1CCN(C(=O)c2ccc(OC)cc2I)[C@@H](C)C1 ZINC000557525744 532366688 /nfs/dbraw/zinc/36/66/88/532366688.db2.gz MAKNCUCNTZHIEE-NSHDSACASA-N 1 1 388.249 2.466 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677216306 532367072 /nfs/dbraw/zinc/36/70/72/532367072.db2.gz AASAKSDLRLYRBS-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677216306 532367078 /nfs/dbraw/zinc/36/70/78/532367078.db2.gz AASAKSDLRLYRBS-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000294605735 532370975 /nfs/dbraw/zinc/37/09/75/532370975.db2.gz VHSNDTQXBMOQGM-OLZOCXBDSA-N 1 1 385.302 2.167 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000294605735 532370977 /nfs/dbraw/zinc/37/09/77/532370977.db2.gz VHSNDTQXBMOQGM-OLZOCXBDSA-N 1 1 385.302 2.167 20 0 GEADMO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000590402301 532371827 /nfs/dbraw/zinc/37/18/27/532371827.db2.gz CKTRXQDSYUDFBY-NOZJJQNGSA-N 1 1 398.248 2.332 20 0 GEADMO Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)sc1C(F)(F)F ZINC000558665617 532395216 /nfs/dbraw/zinc/39/52/16/532395216.db2.gz ORURVCCHRKRMGH-PSASIEDQSA-N 1 1 378.420 2.207 20 0 GEADMO Cn1ncc(Br)c1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000278422546 532379993 /nfs/dbraw/zinc/37/99/93/532379993.db2.gz QSPSAHJDNUEAFK-UHFFFAOYSA-N 1 1 386.315 2.277 20 0 GEADMO NC(=O)CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192061856 532382090 /nfs/dbraw/zinc/38/20/90/532382090.db2.gz RYQOHEOHUORVJY-OAHLLOKOSA-N 1 1 380.286 2.142 20 0 GEADMO Cn1ncc(Br)c1CN[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000278492771 532382287 /nfs/dbraw/zinc/38/22/87/532382287.db2.gz MISSUJHTIOPCCX-WBVHZDCISA-N 1 1 393.329 2.155 20 0 GEADMO Cn1ncc(Br)c1CN[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000278492771 532382293 /nfs/dbraw/zinc/38/22/93/532382293.db2.gz MISSUJHTIOPCCX-WBVHZDCISA-N 1 1 393.329 2.155 20 0 GEADMO Cc1cc(N(C)S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cc[nH+]1 ZINC000463841404 532382909 /nfs/dbraw/zinc/38/29/09/532382909.db2.gz MYRMEJXQCOGQKZ-UHFFFAOYSA-N 1 1 388.898 2.413 20 0 GEADMO CNC(=O)CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192073905 532383996 /nfs/dbraw/zinc/38/39/96/532383996.db2.gz GGSSKDCJRRKFGL-MRXNPFEDSA-N 1 1 394.313 2.403 20 0 GEADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(F)cc1 ZINC000647896223 532384313 /nfs/dbraw/zinc/38/43/13/532384313.db2.gz BAMUZHFHAJPFRC-NSHDSACASA-N 1 1 380.367 2.149 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000647900837 532384809 /nfs/dbraw/zinc/38/48/09/532384809.db2.gz VOACPXRSEBPDEL-CYBMUJFWSA-N 1 1 377.457 2.078 20 0 GEADMO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000677885074 532385049 /nfs/dbraw/zinc/38/50/49/532385049.db2.gz XIULIZFWJAJCOS-DLBZAZTESA-N 1 1 396.329 2.162 20 0 GEADMO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590793833 532387194 /nfs/dbraw/zinc/38/71/94/532387194.db2.gz SJOTXQPRNHYITJ-AWEZNQCLSA-N 1 1 376.881 2.355 20 0 GEADMO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000590793833 532387197 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COC(=O)C[C@]1([NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)CCOC1 ZINC000411535866 532766681 /nfs/dbraw/zinc/76/66/81/532766681.db2.gz ADRYBNJSTRKSFH-MRXNPFEDSA-N 1 1 381.479 2.122 20 0 GEADMO COc1cc(Br)c(S(=O)(=O)N2CC([NH+](C)C)C2)cc1Cl ZINC000542238585 532767544 /nfs/dbraw/zinc/76/75/44/532767544.db2.gz XQBVWFGQXSBBMO-UHFFFAOYSA-N 1 1 383.695 2.046 20 0 GEADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000302542931 532771687 /nfs/dbraw/zinc/77/16/87/532771687.db2.gz OFJNJOOAJMCWDI-LBPRGKRZSA-N 1 1 380.432 2.262 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000302542931 532771688 /nfs/dbraw/zinc/77/16/88/532771688.db2.gz OFJNJOOAJMCWDI-LBPRGKRZSA-N 1 1 380.432 2.262 20 0 GEADMO CNC(=O)[C@H](CCSC)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588931928 532772358 /nfs/dbraw/zinc/77/23/58/532772358.db2.gz KCEFHZGDLOBXKK-ZDUSSCGKSA-N 1 1 379.507 2.496 20 0 GEADMO COCC[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000588933013 532772726 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CCOc1cc(CNC[C@H]2CCC[N@@H+]2CCCO)cc(Br)c1O ZINC000459571757 532796527 /nfs/dbraw/zinc/79/65/27/532796527.db2.gz PMPTUYAAOZQKIJ-CQSZACIVSA-N 1 1 387.318 2.490 20 0 GEADMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CCCO)cc(Br)c1O ZINC000459571757 532796530 /nfs/dbraw/zinc/79/65/30/532796530.db2.gz PMPTUYAAOZQKIJ-CQSZACIVSA-N 1 1 387.318 2.490 20 0 GEADMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411917918 532781024 /nfs/dbraw/zinc/78/10/24/532781024.db2.gz ODCCMJKQFCSXQM-LBPRGKRZSA-N 1 1 388.295 2.359 20 0 GEADMO COC(=O)[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@H+](C)C1 ZINC000411917918 532781029 /nfs/dbraw/zinc/78/10/29/532781029.db2.gz ODCCMJKQFCSXQM-LBPRGKRZSA-N 1 1 388.295 2.359 20 0 GEADMO COC(=O)[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+](C)C1 ZINC000411917918 532781034 /nfs/dbraw/zinc/78/10/34/532781034.db2.gz ODCCMJKQFCSXQM-LBPRGKRZSA-N 1 1 388.295 2.359 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000287043148 532781089 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CS[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000555699771 532809815 /nfs/dbraw/zinc/80/98/15/532809815.db2.gz DHNGKIIYBTXSGP-CJNGLKHVSA-N 1 1 383.945 2.461 20 0 GEADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000329706243 532810050 /nfs/dbraw/zinc/81/00/50/532810050.db2.gz JUYJXABXXWKWAH-CQSZACIVSA-N 1 1 393.285 2.333 20 0 GEADMO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000413314368 532810100 /nfs/dbraw/zinc/81/01/00/532810100.db2.gz MQUCVKYNXVMWMZ-DOMZBBRYSA-N 1 1 387.933 2.416 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Br)n1 ZINC000271606259 532810452 /nfs/dbraw/zinc/81/04/52/532810452.db2.gz YZVOCLGBLFHNHL-GFCCVEGCSA-N 1 1 383.290 2.082 20 0 GEADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCCC(=O)N1 ZINC000270383869 532797033 /nfs/dbraw/zinc/79/70/33/532797033.db2.gz KXIYOSTWZLQFGU-MRXNPFEDSA-N 1 1 394.313 2.198 20 0 GEADMO CSc1ccc([C@H](CNS(=O)(=O)c2c(Cl)cnn2C)[NH+](C)C)cc1 ZINC000550017443 532797376 /nfs/dbraw/zinc/79/73/76/532797376.db2.gz IBXXZYBKJLNHKX-AWEZNQCLSA-N 1 1 388.946 2.377 20 0 GEADMO COCC1(O)CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000270400696 532797707 /nfs/dbraw/zinc/79/77/07/532797707.db2.gz VHIATBPLKIDVHF-UHFFFAOYSA-N 1 1 375.296 2.425 20 0 GEADMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270537506 532799093 /nfs/dbraw/zinc/79/90/93/532799093.db2.gz AUBCNEAVFHEOBB-XJKSGUPXSA-N 1 1 375.897 2.402 20 0 GEADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270537506 532799095 /nfs/dbraw/zinc/79/90/95/532799095.db2.gz AUBCNEAVFHEOBB-XJKSGUPXSA-N 1 1 375.897 2.402 20 0 GEADMO O=C(NCCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139989 532799279 /nfs/dbraw/zinc/79/92/79/532799279.db2.gz KCEXAQMNWPPWEE-HZPDHXFCSA-N 1 1 384.307 2.395 20 0 GEADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000461034041 532799301 /nfs/dbraw/zinc/79/93/01/532799301.db2.gz MOTGMLUIVNAFQC-LLVKDONJSA-N 1 1 396.340 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/nfs/dbraw/zinc/81/18/79/532811879.db2.gz BELRGASYGHZNEL-UHFFFAOYSA-N 1 1 383.286 2.203 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(Br)c1 ZINC000272382179 532814784 /nfs/dbraw/zinc/81/47/84/532814784.db2.gz WNCYEHAGQFIXNG-IUODEOHRSA-N 1 1 380.286 2.249 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000330163879 532815104 /nfs/dbraw/zinc/81/51/04/532815104.db2.gz SUSACXWSACBAGZ-ZBEGNZNMSA-N 1 1 375.897 2.228 20 0 GEADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000330171556 532815492 /nfs/dbraw/zinc/81/54/92/532815492.db2.gz FOCSAZJYPWSLJR-ZBFHGGJFSA-N 1 1 386.587 2.324 20 0 GEADMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@@H]2C1 ZINC000272369065 532814627 /nfs/dbraw/zinc/81/46/27/532814627.db2.gz GHWMPDPRDNGKHP-MWLCHTKSSA-N 1 1 394.722 2.212 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@@H]2C1 ZINC000272369065 532814628 /nfs/dbraw/zinc/81/46/28/532814628.db2.gz GHWMPDPRDNGKHP-MWLCHTKSSA-N 1 1 394.722 2.212 20 0 GEADMO O=C(N[C@H]1C[C@@H](O)C1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413875221 532815781 /nfs/dbraw/zinc/81/57/81/532815781.db2.gz JBXJKEHORCLTPH-IYBDPMFKSA-N 1 1 382.302 2.236 20 0 GEADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000330194462 532815897 /nfs/dbraw/zinc/81/58/97/532815897.db2.gz ZBJHIAHQAMVCGA-INIZCTEOSA-N 1 1 386.587 2.182 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000272686685 532816685 /nfs/dbraw/zinc/81/66/85/532816685.db2.gz OLVQZXKKAWNNRB-OLZOCXBDSA-N 1 1 386.539 2.466 20 0 GEADMO CCOC(=O)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414058229 532818363 /nfs/dbraw/zinc/81/83/63/532818363.db2.gz TZXFZHLSCQPKKO-UHFFFAOYSA-N 1 1 383.286 2.483 20 0 GEADMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccn(C)n1 ZINC000414168297 532819734 /nfs/dbraw/zinc/81/97/34/532819734.db2.gz UQKQSSVWOGHGKN-JTQLQIEISA-N 1 1 377.297 2.356 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)CNC(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000330550349 532821365 /nfs/dbraw/zinc/82/13/65/532821365.db2.gz DQBUFDIHWPAWFT-QWRGUYRKSA-N 1 1 388.331 2.182 20 0 GEADMO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000414365122 532822093 /nfs/dbraw/zinc/82/20/93/532822093.db2.gz JWAVLTCRWSLACG-SNVBAGLBSA-N 1 1 386.445 2.325 20 0 GEADMO C[NH+](C)CCN1CCC(CNCc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000273408168 532823608 /nfs/dbraw/zinc/82/36/08/532823608.db2.gz LYPJHOGJPSPVJG-UHFFFAOYSA-N 1 1 387.977 2.107 20 0 GEADMO CS[C@@H]1CN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000330657944 532824664 /nfs/dbraw/zinc/82/46/64/532824664.db2.gz OSESESQYZXBBQF-BBWFWOEESA-N 1 1 390.615 2.263 20 0 GEADMO CN(C[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1)S(C)(=O)=O ZINC000414444113 532827845 /nfs/dbraw/zinc/82/78/45/532827845.db2.gz UATMZFOZGYNOBH-LBPRGKRZSA-N 1 1 376.425 2.112 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1)S(C)(=O)=O ZINC000414444113 532827848 /nfs/dbraw/zinc/82/78/48/532827848.db2.gz UATMZFOZGYNOBH-LBPRGKRZSA-N 1 1 376.425 2.112 20 0 GEADMO COCC(COC)[NH+]1CCN(Cc2cccc(F)c2Br)CC1 ZINC000414467908 532829585 /nfs/dbraw/zinc/82/95/85/532829585.db2.gz BTCSFMOLULMYME-UHFFFAOYSA-N 1 1 375.282 2.367 20 0 GEADMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000414467667 532829660 /nfs/dbraw/zinc/82/96/60/532829660.db2.gz IXKKGJAJZTWPNK-LLVKDONJSA-N 1 1 385.873 2.246 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000414467098 532829662 /nfs/dbraw/zinc/82/96/62/532829662.db2.gz IGAWBFLHOIVQRK-NSHDSACASA-N 1 1 385.873 2.246 20 0 GEADMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000288511395 532829746 /nfs/dbraw/zinc/82/97/46/532829746.db2.gz ITUNBCRQJFPLAV-IINYFYTJSA-N 1 1 384.299 2.362 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000414531740 532831554 /nfs/dbraw/zinc/83/15/54/532831554.db2.gz ZQDVMLNMBJHOQU-SLEUVZQESA-N 1 1 385.302 2.165 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000414531740 532831557 /nfs/dbraw/zinc/83/15/57/532831557.db2.gz ZQDVMLNMBJHOQU-SLEUVZQESA-N 1 1 385.302 2.165 20 0 GEADMO O=S1(=O)CCC(C[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000331106768 532832867 /nfs/dbraw/zinc/83/28/67/532832867.db2.gz IZLXULKLBHJKDU-UHFFFAOYSA-N 1 1 376.316 2.068 20 0 GEADMO Ic1cncc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000273985693 532838683 /nfs/dbraw/zinc/83/86/83/532838683.db2.gz MMZOFIYICQKYEX-NEPJUHHUSA-N 1 1 398.204 2.272 20 0 GEADMO C[NH+]1CCN(CC2(C)CCN(C(=O)C(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000359960767 212126957 /nfs/dbraw/zinc/12/69/57/212126957.db2.gz PVKIEKMFPJBLNV-UHFFFAOYSA-N 1 1 383.536 2.234 20 0 GEADMO O=C(CC[N@H+]1CCCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCO2 ZINC000359939413 212126098 /nfs/dbraw/zinc/12/60/98/212126098.db2.gz YKHYZPTZQCBTIL-UHFFFAOYSA-N 1 1 385.420 2.185 20 0 GEADMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(-c3cccc(OC)c3)no2)C1 ZINC000359927660 212125209 /nfs/dbraw/zinc/12/52/09/212125209.db2.gz MNSUAZNVZQNXJZ-GDBMZVCRSA-N 1 1 388.468 2.108 20 0 GEADMO Cn1cc(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)ccc1=O ZINC000359908672 212123390 /nfs/dbraw/zinc/12/33/90/212123390.db2.gz OPNDDSNRJYOJIJ-UHFFFAOYSA-N 1 1 376.501 2.321 20 0 GEADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1(C)C ZINC000359878893 212122113 /nfs/dbraw/zinc/12/21/13/212122113.db2.gz YEZBMNSJMMVHQZ-ZBFHGGJFSA-N 1 1 392.496 2.182 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3(C4CC4)CCOCC3)c2)C1 ZINC000359865546 212120140 /nfs/dbraw/zinc/12/01/40/212120140.db2.gz GNKLAMODKCTBEI-IBGZPJMESA-N 1 1 399.535 2.207 20 0 GEADMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086791 /nfs/dbraw/zinc/08/67/91/212086791.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 1 1 386.544 2.355 20 0 GEADMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000274042528 532840265 /nfs/dbraw/zinc/84/02/65/532840265.db2.gz XWJJYBMOGJFBKX-UHFFFAOYSA-N 1 1 381.242 2.268 20 0 GEADMO COc1ccc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000288925292 532842164 /nfs/dbraw/zinc/84/21/64/532842164.db2.gz VLIXNTNMDFUYHZ-UHFFFAOYSA-N 1 1 397.273 2.233 20 0 GEADMO COc1ccc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000288925292 532842166 /nfs/dbraw/zinc/84/21/66/532842166.db2.gz VLIXNTNMDFUYHZ-UHFFFAOYSA-N 1 1 397.273 2.233 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000288989237 532843847 /nfs/dbraw/zinc/84/38/47/532843847.db2.gz RWHUBLVZCCTFNK-DOMZBBRYSA-N 1 1 394.313 2.149 20 0 GEADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000331739651 532844033 /nfs/dbraw/zinc/84/40/33/532844033.db2.gz FEKGRIZNYQBDPB-ZJUUUORDSA-N 1 1 376.404 2.282 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010668 532844221 /nfs/dbraw/zinc/84/42/21/532844221.db2.gz KIYUCZAPWRJBQN-LRDDRELGSA-N 1 1 394.313 2.006 20 0 GEADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000289010685 532844374 /nfs/dbraw/zinc/84/43/74/532844374.db2.gz KIYUCZAPWRJBQN-WBMJQRKESA-N 1 1 394.313 2.006 20 0 GEADMO Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000274242789 532846190 /nfs/dbraw/zinc/84/61/90/532846190.db2.gz RMWTWFDYNNXMHU-HNNXBMFYSA-N 1 1 392.301 2.395 20 0 GEADMO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1Br ZINC000331987859 532847321 /nfs/dbraw/zinc/84/73/21/532847321.db2.gz DLLHRFPAXVCZPH-TZMCWYRMSA-N 1 1 380.286 2.249 20 0 GEADMO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCS1 ZINC000274303973 532847336 /nfs/dbraw/zinc/84/73/36/532847336.db2.gz KQJNTPZKWVFFNN-ZDUSSCGKSA-N 1 1 385.555 2.269 20 0 GEADMO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCS1 ZINC000274303973 532847338 /nfs/dbraw/zinc/84/73/38/532847338.db2.gz KQJNTPZKWVFFNN-ZDUSSCGKSA-N 1 1 385.555 2.269 20 0 GEADMO Cc1cccc(S(=O)(=O)CCC[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000274342854 532847960 /nfs/dbraw/zinc/84/79/60/532847960.db2.gz UYCVZLDSGAQPJM-UHFFFAOYSA-N 1 1 383.432 2.032 20 0 GEADMO Cc1cccc(S(=O)(=O)CCC[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000274342854 532847962 /nfs/dbraw/zinc/84/79/62/532847962.db2.gz UYCVZLDSGAQPJM-UHFFFAOYSA-N 1 1 383.432 2.032 20 0 GEADMO C[NH+]1CCN(C(=O)C2CCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000289147246 532848396 /nfs/dbraw/zinc/84/83/96/532848396.db2.gz AULGLRSNSWIDSD-UHFFFAOYSA-N 1 1 376.448 2.148 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522526 532848862 /nfs/dbraw/zinc/84/88/62/532848862.db2.gz DXHSVVBAWBOYFI-UHFFFAOYSA-N 1 1 388.216 2.409 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415617788 532851302 /nfs/dbraw/zinc/85/13/02/532851302.db2.gz WAEWEUKZJNMYSO-UHFFFAOYSA-N 1 1 387.786 2.346 20 0 GEADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000289327147 532852446 /nfs/dbraw/zinc/85/24/46/532852446.db2.gz LOGOTGCFLBVCFO-LBPRGKRZSA-N 1 1 386.495 2.326 20 0 GEADMO CCn1nccc1S(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000274565595 532852172 /nfs/dbraw/zinc/85/21/72/532852172.db2.gz ZMEHBQGALCLSRY-UHFFFAOYSA-N 1 1 380.539 2.295 20 0 GEADMO CSc1cc2c(cc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1)OCCO2 ZINC000289324110 532852460 /nfs/dbraw/zinc/85/24/60/532852460.db2.gz FZZGKNWYNTYWIH-CQSZACIVSA-N 1 1 386.539 2.036 20 0 GEADMO CSc1cc2c(cc1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1)OCCO2 ZINC000289324110 532852462 /nfs/dbraw/zinc/85/24/62/532852462.db2.gz FZZGKNWYNTYWIH-CQSZACIVSA-N 1 1 386.539 2.036 20 0 GEADMO COc1ccc(Br)c(CC(=O)N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000332379641 532853646 /nfs/dbraw/zinc/85/36/46/532853646.db2.gz HAQZIVUCLURGFW-UHFFFAOYSA-N 1 1 393.285 2.083 20 0 GEADMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000332379302 532853721 /nfs/dbraw/zinc/85/37/21/532853721.db2.gz GBTGWAAVCODFLT-UHFFFAOYSA-N 1 1 386.945 2.180 20 0 GEADMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000332379302 532853724 /nfs/dbraw/zinc/85/37/24/532853724.db2.gz GBTGWAAVCODFLT-UHFFFAOYSA-N 1 1 386.945 2.180 20 0 GEADMO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289407240 532854107 /nfs/dbraw/zinc/85/41/07/532854107.db2.gz UJHDFLQCJGRQRC-HZPDHXFCSA-N 1 1 385.302 2.050 20 0 GEADMO CCOC(=O)CSc1nnc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)s1 ZINC000289458344 532855606 /nfs/dbraw/zinc/85/56/06/532855606.db2.gz LTBPZMFAJSNWDG-OAHLLOKOSA-N 1 1 390.506 2.344 20 0 GEADMO CCOC(=O)CSc1nnc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)s1 ZINC000289458344 532855607 /nfs/dbraw/zinc/85/56/07/532855607.db2.gz LTBPZMFAJSNWDG-OAHLLOKOSA-N 1 1 390.506 2.344 20 0 GEADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000332454224 532855921 /nfs/dbraw/zinc/85/59/21/532855921.db2.gz MXUXQODROAQKHX-UHFFFAOYSA-N 1 1 393.271 2.377 20 0 GEADMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000332493887 532856408 /nfs/dbraw/zinc/85/64/08/532856408.db2.gz PKUXHTBLZHLHBJ-SWLSCSKDSA-N 1 1 380.286 2.473 20 0 GEADMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000332493887 532856410 /nfs/dbraw/zinc/85/64/10/532856410.db2.gz PKUXHTBLZHLHBJ-SWLSCSKDSA-N 1 1 380.286 2.473 20 0 GEADMO COc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1Cl ZINC000415770477 532856743 /nfs/dbraw/zinc/85/67/43/532856743.db2.gz GQOZQLZNWCLXSD-OAHLLOKOSA-N 1 1 378.231 2.101 20 0 GEADMO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415777377 532857030 /nfs/dbraw/zinc/85/70/30/532857030.db2.gz ZDIOQMZIEJJJCW-MRXNPFEDSA-N 1 1 386.265 2.110 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000332600560 532857668 /nfs/dbraw/zinc/85/76/68/532857668.db2.gz KSKJIPMMWRVCQV-WFASDCNBSA-N 1 1 382.302 2.168 20 0 GEADMO COC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCO1 ZINC000289574520 532859127 /nfs/dbraw/zinc/85/91/27/532859127.db2.gz SAZBLGFACHHILG-HOCLYGCPSA-N 1 1 381.274 2.313 20 0 GEADMO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCO1 ZINC000289574525 532859169 /nfs/dbraw/zinc/85/91/69/532859169.db2.gz SAZBLGFACHHILG-ZBFHGGJFSA-N 1 1 381.274 2.313 20 0 GEADMO C[N@@H+](CCO)C1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000274915229 532859635 /nfs/dbraw/zinc/85/96/35/532859635.db2.gz IOXCWXSDUBYWCT-UHFFFAOYSA-N 1 1 376.320 2.109 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c(=O)n1C ZINC000289634600 532860805 /nfs/dbraw/zinc/86/08/05/532860805.db2.gz JDHNOGMFELKULO-GWCFXTLKSA-N 1 1 395.257 2.042 20 0 GEADMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)c(=O)n1C ZINC000289634600 532860807 /nfs/dbraw/zinc/86/08/07/532860807.db2.gz JDHNOGMFELKULO-GWCFXTLKSA-N 1 1 395.257 2.042 20 0 GEADMO C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)C(=O)NCc1ccco1 ZINC000289618253 532860916 /nfs/dbraw/zinc/86/09/16/532860916.db2.gz WDFSFPMZLDDMGR-LLVKDONJSA-N 1 1 377.242 2.484 20 0 GEADMO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000275037985 532862146 /nfs/dbraw/zinc/86/21/46/532862146.db2.gz QQBIMYAPAXEDCB-SWLSCSKDSA-N 1 1 380.286 2.249 20 0 GEADMO Cn1cc([C@@H]2C[N@H+](Cc3nc4ccccn4c3Br)C[C@H]2CO)cn1 ZINC000289822072 532865340 /nfs/dbraw/zinc/86/53/40/532865340.db2.gz UCAFAUNRCAULAC-KBPBESRZSA-N 1 1 390.285 2.038 20 0 GEADMO Cn1cc([C@@H]2C[N@@H+](Cc3nc4ccccn4c3Br)C[C@H]2CO)cn1 ZINC000289822072 532865342 /nfs/dbraw/zinc/86/53/42/532865342.db2.gz UCAFAUNRCAULAC-KBPBESRZSA-N 1 1 390.285 2.038 20 0 GEADMO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000289894231 532867339 /nfs/dbraw/zinc/86/73/39/532867339.db2.gz SBXRKGPIGKZHDU-VIFPVBQESA-N 1 1 399.207 2.082 20 0 GEADMO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000289894231 532867341 /nfs/dbraw/zinc/86/73/41/532867341.db2.gz SBXRKGPIGKZHDU-VIFPVBQESA-N 1 1 399.207 2.082 20 0 GEADMO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000289939761 532868470 /nfs/dbraw/zinc/86/84/70/532868470.db2.gz BCAKOZCGDBZJFN-NSHDSACASA-N 1 1 389.308 2.489 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289991788 532869265 /nfs/dbraw/zinc/86/92/65/532869265.db2.gz YIRZQZDAOLOPPA-RHSMWYFYSA-N 1 1 396.329 2.491 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289991788 532869269 /nfs/dbraw/zinc/86/92/69/532869269.db2.gz YIRZQZDAOLOPPA-RHSMWYFYSA-N 1 1 396.329 2.491 20 0 GEADMO C[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)[C@@H](C)C[N@H+]1CCO ZINC000416289585 532869710 /nfs/dbraw/zinc/86/97/10/532869710.db2.gz FQTXXPOUGUOJRS-KGLIPLIRSA-N 1 1 385.302 2.132 20 0 GEADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000416310511 532870110 /nfs/dbraw/zinc/87/01/10/532870110.db2.gz NYJBGFZEYIRALC-STQMWFEESA-N 1 1 384.318 2.042 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000416310511 532870111 /nfs/dbraw/zinc/87/01/11/532870111.db2.gz NYJBGFZEYIRALC-STQMWFEESA-N 1 1 384.318 2.042 20 0 GEADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)c(F)cc1F ZINC000416310108 532870222 /nfs/dbraw/zinc/87/02/22/532870222.db2.gz NOCJGCOHYULOIA-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(Br)c(F)cc1F ZINC000416310108 532870226 /nfs/dbraw/zinc/87/02/26/532870226.db2.gz NOCJGCOHYULOIA-UWVGGRQHSA-N 1 1 377.229 2.254 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000416315204 532870565 /nfs/dbraw/zinc/87/05/65/532870565.db2.gz UIDZCGLLYRIGNR-STQMWFEESA-N 1 1 394.313 2.386 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000416308540 532870340 /nfs/dbraw/zinc/87/03/40/532870340.db2.gz MHBZMNLVMGXFHO-UWWPHRKUSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000416308540 532870343 /nfs/dbraw/zinc/87/03/43/532870343.db2.gz MHBZMNLVMGXFHO-UWWPHRKUSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000416320016 532871273 /nfs/dbraw/zinc/87/12/73/532871273.db2.gz ZBKFRRMJQOLHLE-NWDGAFQWSA-N 1 1 380.286 2.458 20 0 GEADMO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000416379136 532873469 /nfs/dbraw/zinc/87/34/69/532873469.db2.gz ZYWIUZAFZOIHCU-LBPRGKRZSA-N 1 1 387.933 2.161 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000416376874 532873254 /nfs/dbraw/zinc/87/32/54/532873254.db2.gz UMEHQIKUIIAWDL-GFCCVEGCSA-N 1 1 376.906 2.367 20 0 GEADMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416382170 532873881 /nfs/dbraw/zinc/87/38/81/532873881.db2.gz IVNMKRNHQDFZSX-LBPRGKRZSA-N 1 1 376.906 2.367 20 0 GEADMO O=S(=O)(NC[C@@H]1CCc2[nH+]ccn2C1)c1sccc1Br ZINC000275369974 532874195 /nfs/dbraw/zinc/87/41/95/532874195.db2.gz WYLAKMSDSTZTDZ-VIFPVBQESA-N 1 1 376.301 2.248 20 0 GEADMO O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000333876255 532874503 /nfs/dbraw/zinc/87/45/03/532874503.db2.gz SYKOVYOAZPRNIB-ZDUSSCGKSA-N 1 1 377.963 2.098 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000416406314 532876764 /nfs/dbraw/zinc/87/67/64/532876764.db2.gz FEFGKFOXWLKCPH-YPMHNXCESA-N 1 1 376.906 2.318 20 0 GEADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1)C2 ZINC000290310169 532877690 /nfs/dbraw/zinc/87/76/90/532877690.db2.gz CYWJZTGMHFWGTL-BBRMVZONSA-N 1 1 378.270 2.366 20 0 GEADMO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000290361286 532879127 /nfs/dbraw/zinc/87/91/27/532879127.db2.gz QUAWCZZJRKAHJP-AWEZNQCLSA-N 1 1 396.962 2.112 20 0 GEADMO O=C(C[N@H+](CCO)C1CCOCC1)Nc1ccc(Br)cc1F ZINC000275610663 532880063 /nfs/dbraw/zinc/88/00/63/532880063.db2.gz SMFDTNRGVIQBRP-UHFFFAOYSA-N 1 1 375.238 2.000 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000290433404 532880475 /nfs/dbraw/zinc/88/04/75/532880475.db2.gz PJYXOVILSBKGIY-GFCCVEGCSA-N 1 1 385.306 2.328 20 0 GEADMO C[N@@H+](CC(=O)Nc1ccccc1I)[C@H]1CC[C@H](O)CC1 ZINC000275890562 532885288 /nfs/dbraw/zinc/88/52/88/532885288.db2.gz RYMLJBQMOFPQOQ-HAQNSBGRSA-N 1 1 388.249 2.465 20 0 GEADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Br)ncc1Cl ZINC000290671700 532886328 /nfs/dbraw/zinc/88/63/28/532886328.db2.gz PLCHZTPGUQWFNX-UHFFFAOYSA-N 1 1 391.741 2.453 20 0 GEADMO CN(CCCN(C)C(=O)c1cc(Br)ncc1Cl)CC[NH+](C)C ZINC000290671700 532886330 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Cc1c(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822097084 607290803 /nfs/dbraw/zinc/29/08/03/607290803.db2.gz UQIPWJTVNNSIQU-BETUJISGSA-N 1 1 387.488 2.184 20 0 GEADMO Cc1c(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822097084 607290804 /nfs/dbraw/zinc/29/08/04/607290804.db2.gz UQIPWJTVNNSIQU-BETUJISGSA-N 1 1 387.488 2.184 20 0 GEADMO CN(C)c1cccc(C[N@@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821598315 607312301 /nfs/dbraw/zinc/31/23/01/607312301.db2.gz YCPRREVABSHGGV-UHFFFAOYSA-N 1 1 379.468 2.393 20 0 GEADMO Cc1cccc2c(NCc3ccc(C(=O)N(C)C)cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737411464 599265277 /nfs/dbraw/zinc/26/52/77/599265277.db2.gz YYIVHAGXDWCVEA-UHFFFAOYSA-N 1 1 387.447 2.459 20 0 GEADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000736010984 599267622 /nfs/dbraw/zinc/26/76/22/599267622.db2.gz XWBPMFUGCNLIIU-AWEZNQCLSA-N 1 1 382.447 2.023 20 0 GEADMO CCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736684937 599272221 /nfs/dbraw/zinc/27/22/21/599272221.db2.gz IDSJRSUDGFJSAW-KRWDZBQOSA-N 1 1 380.452 2.475 20 0 GEADMO CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736684937 599272222 /nfs/dbraw/zinc/27/22/22/599272222.db2.gz IDSJRSUDGFJSAW-KRWDZBQOSA-N 1 1 380.452 2.475 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000820656568 599290690 /nfs/dbraw/zinc/29/06/90/599290690.db2.gz GNTSRHBCJFTBGR-KOLCDFICSA-N 1 1 383.378 2.490 20 0 GEADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736481355 598237787 /nfs/dbraw/zinc/23/77/87/598237787.db2.gz OGHOPPPADLLSPT-GOSISDBHSA-N 1 1 384.484 2.111 20 0 GEADMO COc1cccc(N2C[C@@H](Nc3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2=O)c1 ZINC000737141474 598247901 /nfs/dbraw/zinc/24/79/01/598247901.db2.gz XRKAYCLYQKLRSV-ZDUSSCGKSA-N 1 1 379.424 2.105 20 0 GEADMO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736346293 598248974 /nfs/dbraw/zinc/24/89/74/598248974.db2.gz XJFYVXGMSBCHNY-CQSZACIVSA-N 1 1 386.500 2.403 20 0 GEADMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736907835 598249884 /nfs/dbraw/zinc/24/98/84/598249884.db2.gz DQXIPUUYXJLXIN-XKQJLSEDSA-N 1 1 398.467 2.001 20 0 GEADMO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)N1CCCCCC1 ZINC000737875292 598251653 /nfs/dbraw/zinc/25/16/53/598251653.db2.gz HRAOJHXTRMGRPN-UHFFFAOYSA-N 1 1 384.484 2.113 20 0 GEADMO O[C@@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(F)c(F)c1 ZINC000738382508 598251809 /nfs/dbraw/zinc/25/18/09/598251809.db2.gz RJRBKUSLBAWMDK-SFHVURJKSA-N 1 1 386.406 2.001 20 0 GEADMO C[C@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736259705 598257136 /nfs/dbraw/zinc/25/71/36/598257136.db2.gz GDVVGASSFMVTKG-MAUKXSAKSA-N 1 1 383.500 2.273 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000735636554 598257223 /nfs/dbraw/zinc/25/72/23/598257223.db2.gz YYTQVFIHKRBKNS-CQSZACIVSA-N 1 1 388.472 2.092 20 0 GEADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735636562 598257272 /nfs/dbraw/zinc/25/72/72/598257272.db2.gz ZCRPCFZUCJUMGQ-CQSZACIVSA-N 1 1 397.483 2.466 20 0 GEADMO COc1c(C)cc(C[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023061 598257906 /nfs/dbraw/zinc/25/79/06/598257906.db2.gz IEGGJWDHSZLAGY-UHFFFAOYSA-N 1 1 394.479 2.240 20 0 GEADMO COc1c(C)cc(C[N@@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023061 598257907 /nfs/dbraw/zinc/25/79/07/598257907.db2.gz IEGGJWDHSZLAGY-UHFFFAOYSA-N 1 1 394.479 2.240 20 0 GEADMO C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736235456 598260243 /nfs/dbraw/zinc/26/02/43/598260243.db2.gz BRCXXJHSVLQSDX-OWCLPIDISA-N 1 1 398.511 2.498 20 0 GEADMO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000736132201 598313355 /nfs/dbraw/zinc/31/33/55/598313355.db2.gz AKAQUPQJYIBKDD-OLZOCXBDSA-N 1 1 380.427 2.462 20 0 GEADMO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000735662808 598347974 /nfs/dbraw/zinc/34/79/74/598347974.db2.gz YCKKGRHDYFDWOD-UHFFFAOYSA-N 1 1 380.500 2.136 20 0 GEADMO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737475040 598357618 /nfs/dbraw/zinc/35/76/18/598357618.db2.gz YZSBBQZGTLATJB-INIZCTEOSA-N 1 1 377.456 2.165 20 0 GEADMO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736288103 598364549 /nfs/dbraw/zinc/36/45/49/598364549.db2.gz QTYGVBKQGJRHBM-FOIQADDNSA-N 1 1 396.470 2.246 20 0 GEADMO Cc1cc(C)n([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737258204 598367891 /nfs/dbraw/zinc/36/78/91/598367891.db2.gz ZKMMSRWHBSQOLQ-HZPDHXFCSA-N 1 1 394.483 2.344 20 0 GEADMO Cc1cc(C)n([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737258204 598367892 /nfs/dbraw/zinc/36/78/92/598367892.db2.gz ZKMMSRWHBSQOLQ-HZPDHXFCSA-N 1 1 394.483 2.344 20 0 GEADMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735586925 598372164 /nfs/dbraw/zinc/37/21/64/598372164.db2.gz NPZXXVUDHYLAML-HNNXBMFYSA-N 1 1 381.484 2.246 20 0 GEADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000738383860 598419096 /nfs/dbraw/zinc/41/90/96/598419096.db2.gz CIQYTEPODAFJIK-HOTGVXAUSA-N 1 1 383.427 2.235 20 0 GEADMO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000735873473 598427532 /nfs/dbraw/zinc/42/75/32/598427532.db2.gz AVTOTDMHXWRRMH-ROUUACIJSA-N 1 1 383.500 2.414 20 0 GEADMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737110232 598437916 /nfs/dbraw/zinc/43/79/16/598437916.db2.gz YGRKXVZRRCVOTO-LBPRGKRZSA-N 1 1 382.424 2.173 20 0 GEADMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000737108998 598438406 /nfs/dbraw/zinc/43/84/06/598438406.db2.gz MVMUFHMZCSRYIG-SNVBAGLBSA-N 1 1 388.453 2.235 20 0 GEADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736250798 598471409 /nfs/dbraw/zinc/47/14/09/598471409.db2.gz MTCQMCXOLQXVGV-TXEJJXNPSA-N 1 1 398.920 2.061 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736828182 598533133 /nfs/dbraw/zinc/53/31/33/598533133.db2.gz LRTNDSAMKRNYDM-OAQYLSRUSA-N 1 1 392.507 2.324 20 0 GEADMO CN(Cc1ccccc1)C[C@@H](O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736828182 598533134 /nfs/dbraw/zinc/53/31/34/598533134.db2.gz LRTNDSAMKRNYDM-OAQYLSRUSA-N 1 1 392.507 2.324 20 0 GEADMO CN(Cc1ccccc1)C[C@@H](O)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736828182 598533135 /nfs/dbraw/zinc/53/31/35/598533135.db2.gz LRTNDSAMKRNYDM-OAQYLSRUSA-N 1 1 392.507 2.324 20 0 GEADMO CSc1[nH]c(=O)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000737186044 598555665 /nfs/dbraw/zinc/55/56/65/598555665.db2.gz DSJGEEYZMBASKM-UHFFFAOYSA-N 1 1 399.480 2.046 20 0 GEADMO Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737271077 598562105 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C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000824941604 607449879 /nfs/dbraw/zinc/44/98/79/607449879.db2.gz YTMNIZMTPMMMBD-LSDHHAIUSA-N 1 1 383.500 2.418 20 0 GEADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824948722 607453598 /nfs/dbraw/zinc/45/35/98/607453598.db2.gz VKGURFWMKNPYQI-HUUCEWRRSA-N 1 1 383.500 2.275 20 0 GEADMO CN(C)c1cccc([C@H]2CCC[N@H+]2[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589232 607454606 /nfs/dbraw/zinc/45/46/06/607454606.db2.gz DJCDBZDHZPWCSR-RTBURBONSA-N 1 1 391.479 2.296 20 0 GEADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824300912 607455265 /nfs/dbraw/zinc/45/52/65/607455265.db2.gz MUMVTNLNHQFPED-HNNXBMFYSA-N 1 1 383.500 2.275 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000826181859 607464657 /nfs/dbraw/zinc/46/46/57/607464657.db2.gz QAIODCIAPVXKMJ-LBPRGKRZSA-N 1 1 376.461 2.220 20 0 GEADMO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792496 607472802 /nfs/dbraw/zinc/47/28/02/607472802.db2.gz VQRJUKIFXPUZNS-CXAGYDPISA-N 1 1 376.468 2.263 20 0 GEADMO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792498 607473075 /nfs/dbraw/zinc/47/30/75/607473075.db2.gz VQRJUKIFXPUZNS-GUYCJALGSA-N 1 1 376.468 2.263 20 0 GEADMO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000823531147 607474537 /nfs/dbraw/zinc/47/45/37/607474537.db2.gz ZFXNFQHADDAIMP-SFHVURJKSA-N 1 1 380.427 2.459 20 0 GEADMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826428585 607480608 /nfs/dbraw/zinc/48/06/08/607480608.db2.gz GCWKBZZFKPWBAR-UHFFFAOYSA-N 1 1 389.463 2.319 20 0 GEADMO COc1ccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)cc1-c1nn[nH]n1 ZINC000826194311 607496343 /nfs/dbraw/zinc/49/63/43/607496343.db2.gz IPOUSERGSYMJEY-UHFFFAOYSA-N 1 1 399.524 2.348 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000820092457 607507337 /nfs/dbraw/zinc/50/73/37/607507337.db2.gz MEVORYRUDJBQSE-ZDUSSCGKSA-N 1 1 375.452 2.495 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000821762461 607507858 /nfs/dbraw/zinc/50/78/58/607507858.db2.gz LYRLSUVISZPGHO-WMLDXEAASA-N 1 1 397.483 2.356 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000826183804 607513849 /nfs/dbraw/zinc/51/38/49/607513849.db2.gz ANYNANIKYYHUES-UHFFFAOYSA-N 1 1 381.436 2.451 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000826183804 607513850 /nfs/dbraw/zinc/51/38/50/607513850.db2.gz ANYNANIKYYHUES-UHFFFAOYSA-N 1 1 381.436 2.451 20 0 GEADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261679 607515211 /nfs/dbraw/zinc/51/52/11/607515211.db2.gz ORCSMFCPCGCWEQ-KRWDZBQOSA-N 1 1 385.516 2.376 20 0 GEADMO COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1-c1nn[nH]n1 ZINC000826193020 607517294 /nfs/dbraw/zinc/51/72/94/607517294.db2.gz MOUNAVWIFORZBR-UHFFFAOYSA-N 1 1 392.463 2.400 20 0 GEADMO Cc1[nH+]ccn1CCCC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000833010742 601732743 /nfs/dbraw/zinc/73/27/43/601732743.db2.gz KQQXQCHZMZLAOX-OAQYLSRUSA-N 1 1 384.480 2.207 20 0 GEADMO Cc1[nH+]ccn1CCCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833010742 601732745 /nfs/dbraw/zinc/73/27/45/601732745.db2.gz KQQXQCHZMZLAOX-OAQYLSRUSA-N 1 1 384.480 2.207 20 0 GEADMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826341492 607526982 /nfs/dbraw/zinc/52/69/82/607526982.db2.gz JBBOSGARUFZRPP-CFVMTHIKSA-N 1 1 388.472 2.152 20 0 GEADMO CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)CC1 ZINC000829770080 601951937 /nfs/dbraw/zinc/95/19/37/601951937.db2.gz DABNWDMKGGARIF-UHFFFAOYSA-N 1 1 379.526 2.213 20 0 GEADMO C[NH+]1CCN([C@@H](C[NH2+]CCC2CCN(C(=O)[O-])CC2)c2cccs2)CC1 ZINC000739735796 602045957 /nfs/dbraw/zinc/04/59/57/602045957.db2.gz UZBYRCBFCCLWFV-KRWDZBQOSA-N 1 1 380.558 2.406 20 0 GEADMO O=C(CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407045 607556517 /nfs/dbraw/zinc/55/65/17/607556517.db2.gz YMENPLRILRLCPC-QWHCGFSZSA-N 1 1 390.875 2.207 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1ccc(I)cc1)C(C)C ZINC000444165679 649938459 /nfs/dbraw/zinc/93/84/59/649938459.db2.gz IXKXOYFROYJNRH-UHFFFAOYSA-N 1 1 396.294 2.300 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000832757754 604062755 /nfs/dbraw/zinc/06/27/55/604062755.db2.gz NPRXMDWNJYRIHC-AABGKKOBSA-N 1 1 375.513 2.034 20 0 GEADMO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000832757754 604062759 /nfs/dbraw/zinc/06/27/59/604062759.db2.gz NPRXMDWNJYRIHC-AABGKKOBSA-N 1 1 375.513 2.034 20 0 GEADMO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826335069 607671191 /nfs/dbraw/zinc/67/11/91/607671191.db2.gz WVINHIVKDHGCAS-ZWKOTPCHSA-N 1 1 394.483 2.140 20 0 GEADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826433438 607684893 /nfs/dbraw/zinc/68/48/93/607684893.db2.gz GMAQFDSJAGJSNX-MRXNPFEDSA-N 1 1 385.859 2.415 20 0 GEADMO O=C(NCC[C@H]1CCC[NH2+]1)c1n[nH]c2ccc(I)cc21 ZINC000444269211 649943881 /nfs/dbraw/zinc/94/38/81/649943881.db2.gz WTDVNHKBBMQHAS-SNVBAGLBSA-N 1 1 384.221 2.039 20 0 GEADMO CC(C)(CC(=O)[O-])[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000826532641 604440475 /nfs/dbraw/zinc/44/04/75/604440475.db2.gz AOPOIUIPHGMVEL-UHFFFAOYSA-N 1 1 383.492 2.327 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC000824945816 607697949 /nfs/dbraw/zinc/69/79/49/607697949.db2.gz GHAQIIFQWFTWRO-CQSZACIVSA-N 1 1 379.468 2.357 20 0 GEADMO C[N@@H+]1CC=C(CNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000444346353 649946871 /nfs/dbraw/zinc/94/68/71/649946871.db2.gz VAQPBSGVOHINIH-UHFFFAOYSA-N 1 1 376.254 2.282 20 0 GEADMO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444384537 649948094 /nfs/dbraw/zinc/94/80/94/649948094.db2.gz WLJCLXFVSWGLKO-RHSMWYFYSA-N 1 1 399.329 2.378 20 0 GEADMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(-c2nn[nH]n2)c2ccccc2n1 ZINC000825897872 607735188 /nfs/dbraw/zinc/73/51/88/607735188.db2.gz PDLOKOJSXDVFHT-UHFFFAOYSA-N 1 1 381.484 2.210 20 0 GEADMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824698956 607755891 /nfs/dbraw/zinc/75/58/91/607755891.db2.gz OUAZIRGDUNLDTH-GMXVVIOVSA-N 1 1 378.864 2.082 20 0 GEADMO O=C(C[NH+]1CCC(C2CCOCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826410610 607757181 /nfs/dbraw/zinc/75/71/81/607757181.db2.gz SIPIEGAGZWXBFO-UHFFFAOYSA-N 1 1 376.486 2.005 20 0 GEADMO C[C@@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000824769641 605488419 /nfs/dbraw/zinc/48/84/19/605488419.db2.gz XBEVSTJACXQWMU-LPHOPBHVSA-N 1 1 388.512 2.085 20 0 GEADMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)CC1 ZINC000825639270 605727759 /nfs/dbraw/zinc/72/77/59/605727759.db2.gz RRFFZCWBIFSIKR-MRXNPFEDSA-N 1 1 388.512 2.060 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCN(C(=O)[O-])CC3)c2)C1 ZINC000833982931 606040183 /nfs/dbraw/zinc/04/01/83/606040183.db2.gz ZRQNFIKZTJUCTQ-RTBURBONSA-N 1 1 388.512 2.006 20 0 GEADMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)ccc1O ZINC000821713202 606067110 /nfs/dbraw/zinc/06/71/10/606067110.db2.gz RJIKUZTWDUMBDI-UHFFFAOYSA-N 1 1 382.424 2.042 20 0 GEADMO CC[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000821169931 606070685 /nfs/dbraw/zinc/07/06/85/606070685.db2.gz JCVIBPXIYIWWMR-KBXCAEBGSA-N 1 1 383.452 2.395 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087455 606089570 /nfs/dbraw/zinc/08/95/70/606089570.db2.gz BHVMHTOHAHQNPZ-ZDUSSCGKSA-N 1 1 391.907 2.122 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000820995449 606096281 /nfs/dbraw/zinc/09/62/81/606096281.db2.gz RNMXVSJYRSFFLQ-KBPBESRZSA-N 1 1 389.891 2.017 20 0 GEADMO COc1cc(C[N@@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)ccc1O ZINC000821712927 606109503 /nfs/dbraw/zinc/10/95/03/606109503.db2.gz NTEZUWLOAMBQTC-UHFFFAOYSA-N 1 1 382.424 2.042 20 0 GEADMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821367251 606111440 /nfs/dbraw/zinc/11/14/40/606111440.db2.gz DTHFJPYJWUHRDI-ZDUSSCGKSA-N 1 1 378.502 2.232 20 0 GEADMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821367251 606111445 /nfs/dbraw/zinc/11/14/45/606111445.db2.gz DTHFJPYJWUHRDI-ZDUSSCGKSA-N 1 1 378.502 2.232 20 0 GEADMO c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4nccnc4-c4nn[nH]n4)C3)C2)cc1 ZINC000823780099 606141784 /nfs/dbraw/zinc/14/17/84/606141784.db2.gz OAFNBRDPYWBZDR-HXUWFJFHSA-N 1 1 376.468 2.149 20 0 GEADMO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@]4(CCCOC4)C3)o2)c1 ZINC000823738202 606161060 /nfs/dbraw/zinc/16/10/60/606161060.db2.gz QFIZFKBGYDGVQZ-IBGZPJMESA-N 1 1 381.440 2.309 20 0 GEADMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822997863 606186744 /nfs/dbraw/zinc/18/67/44/606186744.db2.gz WIKOPKYNSHCIEW-JKSUJKDBSA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822997863 606186746 /nfs/dbraw/zinc/18/67/46/606186746.db2.gz WIKOPKYNSHCIEW-JKSUJKDBSA-N 1 1 398.492 2.455 20 0 GEADMO O=S(=O)(CC[NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561695 606188627 /nfs/dbraw/zinc/18/86/27/606188627.db2.gz JJSOKXKWSVCTRS-UHFFFAOYSA-N 1 1 387.440 2.058 20 0 GEADMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821367618 606190727 /nfs/dbraw/zinc/19/07/27/606190727.db2.gz LPRCRBGHXKDFEI-GFCCVEGCSA-N 1 1 378.864 2.207 20 0 GEADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821196565 606258350 /nfs/dbraw/zinc/25/83/50/606258350.db2.gz ANOJQZICELXTMY-QGZVFWFLSA-N 1 1 393.495 2.189 20 0 GEADMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821001554 606275081 /nfs/dbraw/zinc/27/50/81/606275081.db2.gz ROOMODMZFFPQDE-XHSDSOJGSA-N 1 1 384.484 2.109 20 0 GEADMO COC(=O)[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000821641976 606300043 /nfs/dbraw/zinc/30/00/43/606300043.db2.gz BLYXPRLWKLVUBZ-SFHVURJKSA-N 1 1 386.500 2.325 20 0 GEADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000820032360 606311923 /nfs/dbraw/zinc/31/19/23/606311923.db2.gz MOGKQWLKTOLCLR-KRWDZBQOSA-N 1 1 381.440 2.370 20 0 GEADMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000821001509 606334374 /nfs/dbraw/zinc/33/43/74/606334374.db2.gz RHKVWAQLCPLXDK-DLBZAZTESA-N 1 1 386.500 2.203 20 0 GEADMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000821001509 606334376 /nfs/dbraw/zinc/33/43/76/606334376.db2.gz RHKVWAQLCPLXDK-DLBZAZTESA-N 1 1 386.500 2.203 20 0 GEADMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000821001509 606334377 /nfs/dbraw/zinc/33/43/77/606334377.db2.gz RHKVWAQLCPLXDK-DLBZAZTESA-N 1 1 386.500 2.203 20 0 GEADMO CNS(=O)(=O)CCC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445882955 649965438 /nfs/dbraw/zinc/96/54/38/649965438.db2.gz BRCUCMLUYXJFQZ-CYBMUJFWSA-N 1 1 377.304 2.144 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000821255085 606384096 /nfs/dbraw/zinc/38/40/96/606384096.db2.gz UCHBFNWIXMYHLJ-DOMZBBRYSA-N 1 1 375.452 2.020 20 0 GEADMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(-c4nn[nH]n4)cn3C)CC[N@H+]2C)cc1 ZINC000821782269 606409399 /nfs/dbraw/zinc/40/93/99/606409399.db2.gz CJRFDBBCPIWMPZ-KSSFIOAISA-N 1 1 396.451 2.064 20 0 GEADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000822658976 606411142 /nfs/dbraw/zinc/41/11/42/606411142.db2.gz CHVUFYFZSTYRJJ-FQEVSTJZSA-N 1 1 380.452 2.417 20 0 GEADMO Cc1cccc2c(NCc3ccc([S@](C)=O)cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334505 606430848 /nfs/dbraw/zinc/43/08/48/606430848.db2.gz DVRFUSSBENKHJX-MHZLTWQESA-N 1 1 378.461 2.495 20 0 GEADMO CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821033673 606441837 /nfs/dbraw/zinc/44/18/37/606441837.db2.gz DITKCGNSLJZUEN-MSOLQXFVSA-N 1 1 383.500 2.273 20 0 GEADMO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000822732894 606489450 /nfs/dbraw/zinc/48/94/50/606489450.db2.gz NVNBGAXZKZBVQV-AWEZNQCLSA-N 1 1 375.383 2.329 20 0 GEADMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)cn1 ZINC000822673814 606510209 /nfs/dbraw/zinc/51/02/09/606510209.db2.gz CGEGFKNLHVNCPM-GFCCVEGCSA-N 1 1 389.410 2.266 20 0 GEADMO O=C(C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822992835 606526612 /nfs/dbraw/zinc/52/66/12/606526612.db2.gz NOLVKLBBHNXRJT-LJQANCHMSA-N 1 1 392.463 2.139 20 0 GEADMO O=C(C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822992835 606526613 /nfs/dbraw/zinc/52/66/13/606526613.db2.gz NOLVKLBBHNXRJT-LJQANCHMSA-N 1 1 392.463 2.139 20 0 GEADMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821572249 606616487 /nfs/dbraw/zinc/61/64/87/606616487.db2.gz 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ZINC000824499899 607939600 /nfs/dbraw/zinc/93/96/00/607939600.db2.gz RZRBMRPOTJRRCG-UGSOOPFHSA-N 1 1 377.452 2.414 20 0 GEADMO CC[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212949 607942362 /nfs/dbraw/zinc/94/23/62/607942362.db2.gz VDBFOSAXARNDKB-GJZGRUSLSA-N 1 1 387.488 2.387 20 0 GEADMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000825251465 607992669 /nfs/dbraw/zinc/99/26/69/607992669.db2.gz BNHJDMWQMIVPMH-CYBMUJFWSA-N 1 1 378.864 2.350 20 0 GEADMO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506637 607993224 /nfs/dbraw/zinc/99/32/24/607993224.db2.gz YULGNBCFIACQJF-KBXCAEBGSA-N 1 1 387.390 2.332 20 0 GEADMO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506637 607993225 /nfs/dbraw/zinc/99/32/25/607993225.db2.gz YULGNBCFIACQJF-KBXCAEBGSA-N 1 1 387.390 2.332 20 0 GEADMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029108 608006983 /nfs/dbraw/zinc/00/69/83/608006983.db2.gz OIUXQMXFMKXIRH-QUCCMNQESA-N 1 1 376.464 2.361 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[C@@H]1c1ccccc1 ZINC000826029618 608007014 /nfs/dbraw/zinc/00/70/14/608007014.db2.gz UWVJURPLTOWBAL-HOCLYGCPSA-N 1 1 383.843 2.090 20 0 GEADMO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826340186 608035020 /nfs/dbraw/zinc/03/50/20/608035020.db2.gz MCMNGMWUXLARPS-UHFFFAOYSA-N 1 1 393.455 2.200 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000824051836 608043956 /nfs/dbraw/zinc/04/39/56/608043956.db2.gz GDJSGVJUSLMTRW-RKDXNWHRSA-N 1 1 382.440 2.331 20 0 GEADMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000824051836 608043957 /nfs/dbraw/zinc/04/39/57/608043957.db2.gz GDJSGVJUSLMTRW-RKDXNWHRSA-N 1 1 382.440 2.331 20 0 GEADMO COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000826188180 608064384 /nfs/dbraw/zinc/06/43/84/608064384.db2.gz POYABQWNWGDFQR-QUCCMNQESA-N 1 1 380.452 2.142 20 0 GEADMO C[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000824911068 608082499 /nfs/dbraw/zinc/08/24/99/608082499.db2.gz ZZYKPOWZXRKTTJ-FSZRXZPDSA-N 1 1 384.484 2.028 20 0 GEADMO C[C@H]1C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)(F)F ZINC000824985207 608105811 /nfs/dbraw/zinc/10/58/11/608105811.db2.gz SYPSNGHEBJXTNU-ZDUSSCGKSA-N 1 1 384.406 2.204 20 0 GEADMO C[C@H]1C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)(F)F ZINC000824985207 608105812 /nfs/dbraw/zinc/10/58/12/608105812.db2.gz SYPSNGHEBJXTNU-ZDUSSCGKSA-N 1 1 384.406 2.204 20 0 GEADMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297542 608127798 /nfs/dbraw/zinc/12/77/98/608127798.db2.gz KYSZIIWUYIJCTI-RTBURBONSA-N 1 1 379.464 2.404 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000824045617 608128266 /nfs/dbraw/zinc/12/82/66/608128266.db2.gz NGVWECUOJQLCPF-UGSOOPFHSA-N 1 1 396.426 2.486 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000824045617 608128267 /nfs/dbraw/zinc/12/82/67/608128267.db2.gz NGVWECUOJQLCPF-UGSOOPFHSA-N 1 1 396.426 2.486 20 0 GEADMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825418200 608153487 /nfs/dbraw/zinc/15/34/87/608153487.db2.gz YPEFHHKBCXAOQI-VXGBXAGGSA-N 1 1 390.513 2.102 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444598 608247086 /nfs/dbraw/zinc/24/70/86/608247086.db2.gz OYACCSWODMUXED-HOTGVXAUSA-N 1 1 386.500 2.357 20 0 GEADMO O=C(COc1ccccc1-c1nn[nH]n1)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000826419104 608248916 /nfs/dbraw/zinc/24/89/16/608248916.db2.gz JEQJTBOEIPAHDG-CQSZACIVSA-N 1 1 383.408 2.046 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000826183324 608256532 /nfs/dbraw/zinc/25/65/32/608256532.db2.gz MEPBUPSIBJMAEQ-UHFFFAOYSA-N 1 1 384.484 2.242 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000826183324 608256534 /nfs/dbraw/zinc/25/65/34/608256534.db2.gz MEPBUPSIBJMAEQ-UHFFFAOYSA-N 1 1 384.484 2.242 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826182883 608256650 /nfs/dbraw/zinc/25/66/50/608256650.db2.gz XELNALUCBUEUDK-CQSZACIVSA-N 1 1 380.456 2.250 20 0 GEADMO CC[C@@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CCN1CC(F)F ZINC000825210815 608257155 /nfs/dbraw/zinc/25/71/55/608257155.db2.gz JHHNYKZJIVAFNG-OAHLLOKOSA-N 1 1 380.443 2.297 20 0 GEADMO c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000826519541 608258400 /nfs/dbraw/zinc/25/84/00/608258400.db2.gz CHVZXYMAABELAF-CQSZACIVSA-N 1 1 380.456 2.121 20 0 GEADMO CCOCC[N@H+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C[C@H]1CC ZINC000825599878 608283952 /nfs/dbraw/zinc/28/39/52/608283952.db2.gz SVDADSDCGOSZPB-MRXNPFEDSA-N 1 1 385.516 2.078 20 0 GEADMO CCC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC[N@H+]1CCOC ZINC000825261323 608303699 /nfs/dbraw/zinc/30/36/99/608303699.db2.gz WTPRANIBGUFHQV-HNNXBMFYSA-N 1 1 381.484 2.352 20 0 GEADMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1-c1nn[nH]n1 ZINC000826332111 608312604 /nfs/dbraw/zinc/31/26/04/608312604.db2.gz JZGJWXMVDIPDDP-KRWDZBQOSA-N 1 1 389.467 2.394 20 0 GEADMO Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826332182 608312757 /nfs/dbraw/zinc/31/27/57/608312757.db2.gz MDYKFROWDPDDQB-KRWDZBQOSA-N 1 1 378.484 2.029 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825444196 608315258 /nfs/dbraw/zinc/31/52/58/608315258.db2.gz JWUFINLWZRMJPB-QWHCGFSZSA-N 1 1 383.456 2.114 20 0 GEADMO O=C1[C@H]([N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476457 608326651 /nfs/dbraw/zinc/32/66/51/608326651.db2.gz IDFQQPUMLVBUNP-JTDSTZFVSA-N 1 1 396.495 2.111 20 0 GEADMO O=C1[C@H]([N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476458 608327070 /nfs/dbraw/zinc/32/70/70/608327070.db2.gz IDFQQPUMLVBUNP-TXPKVOOTSA-N 1 1 396.495 2.111 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCCS(=O)(=O)Cc2ccccc2)[nH+]1 ZINC000826263353 608365131 /nfs/dbraw/zinc/36/51/31/608365131.db2.gz WVVWQEJDJYUTNP-UHFFFAOYSA-N 1 1 386.481 2.296 20 0 GEADMO CCC[C@H]1CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1CCOC ZINC000825259625 608375623 /nfs/dbraw/zinc/37/56/23/608375623.db2.gz JWZMGFAPDURICC-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO CCC[C@H]1C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825259625 608375625 /nfs/dbraw/zinc/37/56/25/608375625.db2.gz JWZMGFAPDURICC-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO CCC[C@H]1C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825259625 608375627 /nfs/dbraw/zinc/37/56/27/608375627.db2.gz JWZMGFAPDURICC-SFHVURJKSA-N 1 1 388.516 2.068 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825069166 608406465 /nfs/dbraw/zinc/40/64/65/608406465.db2.gz YRIMZCHJRJGWFN-HNNXBMFYSA-N 1 1 383.500 2.396 20 0 GEADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825221101 608407383 /nfs/dbraw/zinc/40/73/83/608407383.db2.gz XZTHHUFINZTRGB-SJLPKXTDSA-N 1 1 392.511 2.419 20 0 GEADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000825220228 608409705 /nfs/dbraw/zinc/40/97/05/608409705.db2.gz QPYYQQUVWNLYGT-UONOGXRCSA-N 1 1 389.529 2.042 20 0 GEADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825443582 608421756 /nfs/dbraw/zinc/42/17/56/608421756.db2.gz DTXRWAPZFGHACQ-RDTXWAMCSA-N 1 1 381.484 2.006 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000826170016 608429430 /nfs/dbraw/zinc/42/94/30/608429430.db2.gz MFSKLKXVRKYTHO-GFCCVEGCSA-N 1 1 387.465 2.130 20 0 GEADMO CC(C)(C)c1n[nH]cc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824137240 608501456 /nfs/dbraw/zinc/50/14/56/608501456.db2.gz ZAWKOWSWSFMXMG-UHFFFAOYSA-N 1 1 380.500 2.205 20 0 GEADMO c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000826517676 608512892 /nfs/dbraw/zinc/51/28/92/608512892.db2.gz LLEFNJJVWPQBGM-FOIQADDNSA-N 1 1 382.512 2.335 20 0 GEADMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825285105 608562097 /nfs/dbraw/zinc/56/20/97/608562097.db2.gz JQCDLLMHUZPZQE-LBPRGKRZSA-N 1 1 392.529 2.228 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000826181528 608583123 /nfs/dbraw/zinc/58/31/23/608583123.db2.gz CDLVAUNGSMYBBB-UHFFFAOYSA-N 1 1 376.461 2.174 20 0 GEADMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000826181528 608583125 /nfs/dbraw/zinc/58/31/25/608583125.db2.gz CDLVAUNGSMYBBB-UHFFFAOYSA-N 1 1 376.461 2.174 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826453694 608591087 /nfs/dbraw/zinc/59/10/87/608591087.db2.gz VVLMZDVRLVQEBA-NSHDSACASA-N 1 1 387.831 2.359 20 0 GEADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826453694 608591088 /nfs/dbraw/zinc/59/10/88/608591088.db2.gz VVLMZDVRLVQEBA-NSHDSACASA-N 1 1 387.831 2.359 20 0 GEADMO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826060680 608608859 /nfs/dbraw/zinc/60/88/59/608608859.db2.gz QPJGAYHDWQFTIW-LJQANCHMSA-N 1 1 392.463 2.156 20 0 GEADMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000825961108 608612212 /nfs/dbraw/zinc/61/22/12/608612212.db2.gz ATIHKLNWGIIHDO-GFCCVEGCSA-N 1 1 397.357 2.350 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000825961108 608612215 /nfs/dbraw/zinc/61/22/15/608612215.db2.gz ATIHKLNWGIIHDO-GFCCVEGCSA-N 1 1 397.357 2.350 20 0 GEADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000824975460 608634628 /nfs/dbraw/zinc/63/46/28/608634628.db2.gz KIODZNDJVIOVPA-ZIAGYGMSSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000824975460 608634629 /nfs/dbraw/zinc/63/46/29/608634629.db2.gz KIODZNDJVIOVPA-ZIAGYGMSSA-N 1 1 396.451 2.203 20 0 GEADMO CCn1cncc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825805045 608662630 /nfs/dbraw/zinc/66/26/30/608662630.db2.gz POOKAFONNBCIAC-MRXNPFEDSA-N 1 1 377.456 2.458 20 0 GEADMO CCn1cncc1[C@H]1CCCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825805045 608662633 /nfs/dbraw/zinc/66/26/33/608662633.db2.gz POOKAFONNBCIAC-MRXNPFEDSA-N 1 1 377.456 2.458 20 0 GEADMO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1 ZINC000824420941 608676254 /nfs/dbraw/zinc/67/62/54/608676254.db2.gz QSUFQXFFSVCHEH-INIZCTEOSA-N 1 1 382.468 2.183 20 0 GEADMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1 ZINC000824420941 608676256 /nfs/dbraw/zinc/67/62/56/608676256.db2.gz QSUFQXFFSVCHEH-INIZCTEOSA-N 1 1 382.468 2.183 20 0 GEADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H](c1cccs1)N1CCOCC1 ZINC000825961571 608688138 /nfs/dbraw/zinc/68/81/38/608688138.db2.gz JBDRKUGYCNRLGM-CQSZACIVSA-N 1 1 390.538 2.495 20 0 GEADMO 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CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000525181610 650650799 /nfs/dbraw/zinc/65/07/99/650650799.db2.gz YBWSQTOFJKBYOO-GFCCVEGCSA-N 1 1 385.917 2.187 20 0 GEADMO COc1nc(N2CC[NH+](C[C@@H](O)CCC(C)C)CC2)ncc1Br ZINC000481709754 650651534 /nfs/dbraw/zinc/65/15/34/650651534.db2.gz GMJYXKBWQWRDPU-ZDUSSCGKSA-N 1 1 387.322 2.167 20 0 GEADMO CC(C)[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)[NH+]1CCOCC1 ZINC000525923837 650660740 /nfs/dbraw/zinc/66/07/40/650660740.db2.gz VLFLJVNQLDEDAY-OAHLLOKOSA-N 1 1 395.301 2.412 20 0 GEADMO O=C(Cc1ccc(Br)cc1O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000481964023 650656580 /nfs/dbraw/zinc/65/65/80/650656580.db2.gz CMDVWJSCTZPHMM-HNNXBMFYSA-N 1 1 385.302 2.050 20 0 GEADMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000526295975 650664263 /nfs/dbraw/zinc/66/42/63/650664263.db2.gz JFRQNZDHHORLDP-HUBLWGQQSA-N 1 1 376.266 2.421 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000527165632 650670106 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C[C@]1(Br)C[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000528135487 650685979 /nfs/dbraw/zinc/68/59/79/650685979.db2.gz PMOQQZMWJXTGKB-CPUCHLNUSA-N 1 1 380.286 2.248 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc(C)c1Br ZINC000484963434 650691490 /nfs/dbraw/zinc/69/14/90/650691490.db2.gz NONIXMIDWSNDKO-UHFFFAOYSA-N 1 1 380.286 2.383 20 0 GEADMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc(C)c1Br ZINC000484963434 650691492 /nfs/dbraw/zinc/69/14/92/650691492.db2.gz NONIXMIDWSNDKO-UHFFFAOYSA-N 1 1 380.286 2.383 20 0 GEADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000485082076 650693046 /nfs/dbraw/zinc/69/30/46/650693046.db2.gz WHOLXFVNNIYGHE-NSHDSACASA-N 1 1 380.901 2.119 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000485194492 650694157 /nfs/dbraw/zinc/69/41/57/650694157.db2.gz IAXIUBSAKMFYDX-GXTWGEPZSA-N 1 1 385.917 2.261 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000485566951 650697223 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GEADMO C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000126671798 643740877 /nfs/dbraw/zinc/74/08/77/643740877.db2.gz DUADIEAALIRSMX-AAEUAGOBSA-N 1 1 393.285 2.288 20 0 GEADMO Cc1ccc(I)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000126787442 643745235 /nfs/dbraw/zinc/74/52/35/643745235.db2.gz SRYFYZLVROECGM-BXUZGUMPSA-N 1 1 388.249 2.049 20 0 GEADMO Cc1ccc(I)c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000126787442 643745240 /nfs/dbraw/zinc/74/52/40/643745240.db2.gz SRYFYZLVROECGM-BXUZGUMPSA-N 1 1 388.249 2.049 20 0 GEADMO O=C(Cn1cccn1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126879462 643749792 /nfs/dbraw/zinc/74/97/92/643749792.db2.gz BIBSMLYGYDGXFP-UHFFFAOYSA-N 1 1 377.286 2.426 20 0 GEADMO O=C(CSCc1cscn1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000126949932 643750893 /nfs/dbraw/zinc/75/08/93/643750893.db2.gz FSIQIAVZEXIAAG-IAGOWNOFSA-N 1 1 377.535 2.128 20 0 GEADMO Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000127148047 643759997 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GEADMO CSCC[C@H]1NC(=S)N(c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1=O ZINC000129766336 643826654 /nfs/dbraw/zinc/82/66/54/643826654.db2.gz JQIHYLOXWXTDNR-CQSZACIVSA-N 1 1 398.985 2.435 20 0 GEADMO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000541036783 650869254 /nfs/dbraw/zinc/86/92/54/650869254.db2.gz ORCGUBHEZMXPFN-MLGOLLRUSA-N 1 1 382.302 2.409 20 0 GEADMO O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000541051287 650869818 /nfs/dbraw/zinc/86/98/18/650869818.db2.gz HOTFZLRKMKIPBL-AWEZNQCLSA-N 1 1 393.237 2.440 20 0 GEADMO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000131015507 643859345 /nfs/dbraw/zinc/85/93/45/643859345.db2.gz MUDGDSZCBLMROJ-TXEJJXNPSA-N 1 1 388.295 2.500 20 0 GEADMO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000131015507 643859347 /nfs/dbraw/zinc/85/93/47/643859347.db2.gz MUDGDSZCBLMROJ-TXEJJXNPSA-N 1 1 388.295 2.500 20 0 GEADMO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000131088147 643862676 /nfs/dbraw/zinc/86/26/76/643862676.db2.gz STTQSGZAWYGFFN-IRXDYDNUSA-N 1 1 375.579 2.209 20 0 GEADMO CO[C@H]1C[C@@H](C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)[N@@H+](C)C1 ZINC000499234737 650876688 /nfs/dbraw/zinc/87/66/88/650876688.db2.gz YSANKCOYYSNBLT-BBRMVZONSA-N 1 1 375.296 2.424 20 0 GEADMO CN(C)c1cc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc[nH+]1 ZINC000541094268 650871562 /nfs/dbraw/zinc/87/15/62/650871562.db2.gz QVQYLAFVSKPWSA-UHFFFAOYSA-N 1 1 391.225 2.493 20 0 GEADMO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133569988 643897055 /nfs/dbraw/zinc/89/70/55/643897055.db2.gz QTSHTHMWMAOIPT-OCCSQVGLSA-N 1 1 386.949 2.158 20 0 GEADMO C[C@H](C(=O)NCCc1c[nH]c2ccc(Br)cc12)N1CC[NH+](C)CC1 ZINC000541491347 650877757 /nfs/dbraw/zinc/87/77/57/650877757.db2.gz UBCTVXILXRCPFW-CYBMUJFWSA-N 1 1 393.329 2.225 20 0 GEADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000151269464 643933762 /nfs/dbraw/zinc/93/37/62/643933762.db2.gz LXLUGKANNHUFOR-LBPRGKRZSA-N 1 1 383.290 2.163 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000151599206 643948152 /nfs/dbraw/zinc/94/81/52/643948152.db2.gz GYSRVJWHPRVYCR-CYBMUJFWSA-N 1 1 397.317 2.411 20 0 GEADMO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)C1 ZINC000153491927 643989347 /nfs/dbraw/zinc/98/93/47/643989347.db2.gz OFWGXVWVWDKQNS-AWEZNQCLSA-N 1 1 389.924 2.273 20 0 GEADMO CCCc1[nH+]ccn1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000153555373 643992890 /nfs/dbraw/zinc/99/28/90/643992890.db2.gz FSYILRSVBTXEMO-UHFFFAOYSA-N 1 1 379.258 2.353 20 0 GEADMO CC(C)[C@@H]1C[N@H+](C)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000153629262 643997142 /nfs/dbraw/zinc/99/71/42/643997142.db2.gz KNKFXYGDCOSROL-HNNXBMFYSA-N 1 1 380.286 2.208 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000153629262 643997145 /nfs/dbraw/zinc/99/71/45/643997145.db2.gz KNKFXYGDCOSROL-HNNXBMFYSA-N 1 1 380.286 2.208 20 0 GEADMO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000541980942 650884478 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COc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000416558731 648171657 /nfs/dbraw/zinc/17/16/57/648171657.db2.gz PNCFMZFFJZRSCD-GFCCVEGCSA-N 1 1 391.331 2.468 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)c(C)c2)CC[N@@H+](C)C1 ZINC000416722507 648209531 /nfs/dbraw/zinc/20/95/31/648209531.db2.gz HIRYAFXZENNXFU-GFCCVEGCSA-N 1 1 384.274 2.326 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417256623 648236385 /nfs/dbraw/zinc/23/63/85/648236385.db2.gz AXTFSYRPLLCROF-LLVKDONJSA-N 1 1 391.260 2.169 20 0 GEADMO COc1cc(F)c(Br)cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000417588801 648254244 /nfs/dbraw/zinc/25/42/44/648254244.db2.gz VCGXIGZJSJYORV-JTQLQIEISA-N 1 1 390.253 2.127 20 0 GEADMO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417742192 648261036 /nfs/dbraw/zinc/26/10/36/648261036.db2.gz ZSSUEIKEXGOBAO-WDEREUQCSA-N 1 1 393.289 2.126 20 0 GEADMO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417742192 648261037 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O=C(COc1ccc(Br)cc1F)N1CC[NH+](CCCF)CC1 ZINC000627954451 652445300 /nfs/dbraw/zinc/44/53/00/652445300.db2.gz RAXRPKPSNPVWGD-UHFFFAOYSA-N 1 1 377.229 2.471 20 0 GEADMO O=C(c1ccc(Br)cc1-n1cncn1)N1CC[NH+](CCCF)CC1 ZINC000627959787 652445724 /nfs/dbraw/zinc/44/57/24/652445724.db2.gz APMURCKTJFAVGK-UHFFFAOYSA-N 1 1 396.264 2.147 20 0 GEADMO O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000662055545 652446721 /nfs/dbraw/zinc/44/67/21/652446721.db2.gz NQZDERUMPAGLDG-ZDUSSCGKSA-N 1 1 380.286 2.332 20 0 GEADMO O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000662055545 652446722 /nfs/dbraw/zinc/44/67/22/652446722.db2.gz NQZDERUMPAGLDG-ZDUSSCGKSA-N 1 1 380.286 2.332 20 0 GEADMO C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662138544 652448680 /nfs/dbraw/zinc/44/86/80/652448680.db2.gz QZVKMKKOIDNZAZ-KDOFPFPSSA-N 1 1 399.329 2.237 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@]1(C)CO ZINC000662147472 652449163 /nfs/dbraw/zinc/44/91/63/652449163.db2.gz WEBUYNWKRWXCGW-WPGHFRTFSA-N 1 1 376.266 2.278 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000582419984 652449728 /nfs/dbraw/zinc/44/97/28/652449728.db2.gz USYODLJSZJCUQZ-INIZCTEOSA-N 1 1 381.249 2.408 20 0 GEADMO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125661 652452405 /nfs/dbraw/zinc/45/24/05/652452405.db2.gz JCGNOXQLKMZKDV-UHFFFAOYSA-N 1 1 393.285 2.262 20 0 GEADMO CN(C)c1nc2sc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2s1 ZINC000628126806 652452560 /nfs/dbraw/zinc/45/25/60/652452560.db2.gz INQCSQSMUYVPSU-UHFFFAOYSA-N 1 1 380.539 2.361 20 0 GEADMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628170697 652453900 /nfs/dbraw/zinc/45/39/00/652453900.db2.gz IRGFFOKGTNOLSG-UHFFFAOYSA-N 1 1 375.485 2.277 20 0 GEADMO Cc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)ncc1Br ZINC000628190550 652454767 /nfs/dbraw/zinc/45/47/67/652454767.db2.gz JPWOGWKLDFRVNA-UHFFFAOYSA-N 1 1 376.320 2.008 20 0 GEADMO [NH3+][C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)c1ccccc1Br ZINC000662358647 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GEADMO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(I)c1O ZINC000755230878 652460949 /nfs/dbraw/zinc/46/09/49/652460949.db2.gz IAWKMZYPZPQHHX-JTQLQIEISA-N 1 1 376.238 2.457 20 0 GEADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(I)c1O ZINC000755230878 652460952 /nfs/dbraw/zinc/46/09/52/652460952.db2.gz IAWKMZYPZPQHHX-JTQLQIEISA-N 1 1 376.238 2.457 20 0 GEADMO CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662437192 652460972 /nfs/dbraw/zinc/46/09/72/652460972.db2.gz NWBPMOUYOKBOEC-CJNGLKHVSA-N 1 1 396.329 2.460 20 0 GEADMO CN(C(=O)c1cccc(I)c1O)[C@H]1C[NH+]2CCC1CC2 ZINC000755311143 652462403 /nfs/dbraw/zinc/46/24/03/652462403.db2.gz XMJFQPQATJWMJP-ZDUSSCGKSA-N 1 1 386.233 2.163 20 0 GEADMO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000582840077 652463560 /nfs/dbraw/zinc/46/35/60/652463560.db2.gz CVUGESKCEXURQC-GZMMTYOYSA-N 1 1 381.192 2.421 20 0 GEADMO CO[C@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2ccccc2Br)n1 ZINC000662488690 652464172 /nfs/dbraw/zinc/46/41/72/652464172.db2.gz TWODFQTXBQSYJI-NOZJJQNGSA-N 1 1 383.246 2.198 20 0 GEADMO [NH3+]CC(F)(F)CC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000582852620 652464301 /nfs/dbraw/zinc/46/43/01/652464301.db2.gz JAAPQHMXPHGKHZ-UHFFFAOYSA-N 1 1 378.217 2.208 20 0 GEADMO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000662497028 652464484 /nfs/dbraw/zinc/46/44/84/652464484.db2.gz QCEBJVMBEOKAFP-ABAIWWIYSA-N 1 1 393.260 2.378 20 0 GEADMO CN(C)c1ncc(CN(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)cn1 ZINC000662536894 652466496 /nfs/dbraw/zinc/46/64/96/652466496.db2.gz SMMBQICWINWQTB-UHFFFAOYSA-N 1 1 396.314 2.242 20 0 GEADMO O=C(Nc1cnc2c(Br)cccn12)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662540578 652466796 /nfs/dbraw/zinc/46/67/96/652466796.db2.gz YYLCELHZPMRBNE-SECBINFHSA-N 1 1 375.230 2.149 20 0 GEADMO C[NH2+][C@H](C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)c1cccc(Cl)c1Cl ZINC000662618066 652469528 /nfs/dbraw/zinc/46/95/28/652469528.db2.gz TWZCSQGSIPUZEX-RULNRJAQSA-N 1 1 379.309 2.288 20 0 GEADMO Cn1c(SCC(=O)NC[C@H]2CCCC[N@@H+](C)C2)nnc1-c1cccs1 ZINC000628756897 652470020 /nfs/dbraw/zinc/47/00/20/652470020.db2.gz XEVUDKTUOZEZMC-CYBMUJFWSA-N 1 1 379.555 2.484 20 0 GEADMO C[NH2+][C@H](C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1cccc(Cl)c1Cl ZINC000662658480 652470275 /nfs/dbraw/zinc/47/02/75/652470275.db2.gz ATAHSNXJLOVRFE-BFVZDQMLSA-N 1 1 379.309 2.336 20 0 GEADMO Cc1ccsc1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000583013113 652471126 /nfs/dbraw/zinc/47/11/26/652471126.db2.gz MSWVSYWJJFBRMG-ZDUSSCGKSA-N 1 1 377.535 2.297 20 0 GEADMO Cc1ccsc1CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000583013113 652471129 /nfs/dbraw/zinc/47/11/29/652471129.db2.gz MSWVSYWJJFBRMG-ZDUSSCGKSA-N 1 1 377.535 2.297 20 0 GEADMO CCc1[nH]n(C)c2nnc(NC(=O)[C@H]([NH3+])c3ccccc3Br)c1-2 ZINC000662792420 652474606 /nfs/dbraw/zinc/47/46/06/652474606.db2.gz NJXQNFFVBFZVAC-GFCCVEGCSA-N 1 1 377.246 2.260 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c2ccccc12 ZINC000755754265 652475283 /nfs/dbraw/zinc/47/52/83/652475283.db2.gz VTWRVYYAQANEEO-QWHCGFSZSA-N 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C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@H+](C)CCO1 ZINC000676305177 653094298 /nfs/dbraw/zinc/09/42/98/653094298.db2.gz OXITWSHCCOSXGH-QMTHXVAHSA-N 1 1 386.265 2.379 20 0 GEADMO C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1C[N@@H+](C)CCO1 ZINC000676305177 653094299 /nfs/dbraw/zinc/09/42/99/653094299.db2.gz OXITWSHCCOSXGH-QMTHXVAHSA-N 1 1 386.265 2.379 20 0 GEADMO C[S@](=O)CCN1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000771146222 653097786 /nfs/dbraw/zinc/09/77/86/653097786.db2.gz MGAWTMCFCLYEPC-QFIPXVFZSA-N 1 1 382.327 2.498 20 0 GEADMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000676745054 653105849 /nfs/dbraw/zinc/10/58/49/653105849.db2.gz UDHHMMJLIJXDCW-HNNXBMFYSA-N 1 1 396.285 2.084 20 0 GEADMO Cn1cc(Br)c(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000640309376 653114223 /nfs/dbraw/zinc/11/42/23/653114223.db2.gz YPOLRADLWOXZMB-UHFFFAOYSA-N 1 1 380.290 2.826 20 0 GEADMO C[C@H](OC(=O)C1SCCS1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768578489 653118965 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C[C@H](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)n1cc(Br)cn1 ZINC000640514280 653128281 /nfs/dbraw/zinc/12/82/81/653128281.db2.gz ZWEVHYROIGFNGK-YUELXQCFSA-N 1 1 399.333 2.212 20 0 GEADMO OC[C@@H]1CCC[N@@H+]1Cc1cn(CCOc2cccc(Br)c2)nn1 ZINC000640797228 653139627 /nfs/dbraw/zinc/13/96/27/653139627.db2.gz YSZNNCSPGDOANJ-HNNXBMFYSA-N 1 1 381.274 2.076 20 0 GEADMO OC[C@@H]1CCC[N@H+]1Cc1cn(CCOc2cccc(Br)c2)nn1 ZINC000640797228 653139628 /nfs/dbraw/zinc/13/96/28/653139628.db2.gz YSZNNCSPGDOANJ-HNNXBMFYSA-N 1 1 381.274 2.076 20 0 GEADMO C[NH+]1CCN(C(=O)CC2CCN(Cc3occc3Br)CC2)CC1 ZINC000769339367 653150146 /nfs/dbraw/zinc/15/01/46/653150146.db2.gz WAVBYCXEVSSJRH-UHFFFAOYSA-N 1 1 384.318 2.418 20 0 GEADMO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000769402470 653153092 /nfs/dbraw/zinc/15/30/92/653153092.db2.gz KECZKUHQRKMWPZ-GJZGRUSLSA-N 1 1 379.309 2.276 20 0 GEADMO O=C(CC[NH+]1CCOCC1)NCCc1cc(Cl)ccc1Br ZINC000772545599 653153876 /nfs/dbraw/zinc/15/38/76/653153876.db2.gz XRYGXAKSAVLNAU-UHFFFAOYSA-N 1 1 375.694 2.484 20 0 GEADMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cnc(Cl)n1C ZINC000769430053 653156167 /nfs/dbraw/zinc/15/61/67/653156167.db2.gz SNMNSHHBIFDOFN-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cnc(Cl)n1C ZINC000769430053 653156177 /nfs/dbraw/zinc/15/61/77/653156177.db2.gz SNMNSHHBIFDOFN-CQSZACIVSA-N 1 1 382.917 2.359 20 0 GEADMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000602200214 653157148 /nfs/dbraw/zinc/15/71/48/653157148.db2.gz HPICTTZHYRKCBU-CQSZACIVSA-N 1 1 396.329 2.356 20 0 GEADMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1Br ZINC000602200214 653157157 /nfs/dbraw/zinc/15/71/57/653157157.db2.gz HPICTTZHYRKCBU-CQSZACIVSA-N 1 1 396.329 2.356 20 0 GEADMO COc1cc(Br)ccc1CCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000680046264 653161531 /nfs/dbraw/zinc/16/15/31/653161531.db2.gz WHSOYQMUSFKQSV-UHFFFAOYSA-N 1 1 398.345 2.096 20 0 GEADMO OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ncc(Br)cc2Cl)nn1 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CCN1CCN([C@H](C)C[NH2+]Cc2ccc(I)s2)CC1 ZINC000602513894 653187660 /nfs/dbraw/zinc/18/76/60/653187660.db2.gz GELNAGKBPGASRM-GFCCVEGCSA-N 1 1 393.338 2.468 20 0 GEADMO COc1cc(CS(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)sn1 ZINC000641333131 653188944 /nfs/dbraw/zinc/18/89/44/653188944.db2.gz ZZGRMXRJRTYEKV-OAHLLOKOSA-N 1 1 381.523 2.236 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nccn3c(Br)cnc23)C[C@H]1C ZINC000769912696 653189805 /nfs/dbraw/zinc/18/98/05/653189805.db2.gz WZNRLNXQAQJZKR-NEPJUHHUSA-N 1 1 380.290 2.437 20 0 GEADMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000602595288 653193196 /nfs/dbraw/zinc/19/31/96/653193196.db2.gz HLKAARNNCATRTE-WNSKOXEYSA-N 1 1 386.926 2.197 20 0 GEADMO CO[C@H](C[NH2+]Cc1nn(C)cc1I)Cc1ccccc1 ZINC000602685059 653200657 /nfs/dbraw/zinc/20/06/57/653200657.db2.gz XCNPEOZGYJTLJQ-ZDUSSCGKSA-N 1 1 385.249 2.372 20 0 GEADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(I)s3)CC[C@@H]2N1 ZINC000602706035 653201098 /nfs/dbraw/zinc/20/10/98/653201098.db2.gz AWJLOAUBHWIIBP-KOLCDFICSA-N 1 1 376.263 2.453 20 0 GEADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(I)s3)CC[C@@H]2N1 ZINC000602706035 653201101 /nfs/dbraw/zinc/20/11/01/653201101.db2.gz AWJLOAUBHWIIBP-KOLCDFICSA-N 1 1 376.263 2.453 20 0 GEADMO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000602735256 653203393 /nfs/dbraw/zinc/20/33/93/653203393.db2.gz VIUHIYQSOZLFOH-LLVKDONJSA-N 1 1 382.258 2.413 20 0 GEADMO C[C@H](NC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682034520 653204347 /nfs/dbraw/zinc/20/43/47/653204347.db2.gz HRWPUUVJNUUSCU-AWEZNQCLSA-N 1 1 398.345 2.015 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn2cc(Br)ccc2n1 ZINC000682031236 653204374 /nfs/dbraw/zinc/20/43/74/653204374.db2.gz RLIBMDQQNZDXKL-ZDUSSCGKSA-N 1 1 381.318 2.374 20 0 GEADMO O=C(/C=C/c1cc(Br)ccc1F)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000773534000 653204571 /nfs/dbraw/zinc/20/45/71/653204571.db2.gz RLZIOBGUBJDTMT-FIMWJMCYSA-N 1 1 382.277 2.108 20 0 GEADMO CC1(C)CN(Cc2cc3c(cc2Br)OCCO3)CC[N@H+]1CCO ZINC000682034089 653204521 /nfs/dbraw/zinc/20/45/21/653204521.db2.gz VRECFBNUDRRNPD-UHFFFAOYSA-N 1 1 385.302 2.109 20 0 GEADMO COc1cc(CS(=O)(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)sn1 ZINC000641463479 653209657 /nfs/dbraw/zinc/20/96/57/653209657.db2.gz LCJZBSOFQMAFPZ-UHFFFAOYSA-N 1 1 383.495 2.228 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682494294 653214841 /nfs/dbraw/zinc/21/48/41/653214841.db2.gz GYEUSAPBUKRRPA-NSHDSACASA-N 1 1 375.694 2.170 20 0 GEADMO O=C(Cc1ccc(Br)c(Cl)c1)NCC[N@H+]1CCCOCC1 ZINC000682533763 653217363 /nfs/dbraw/zinc/21/73/63/653217363.db2.gz DJLMSTOQUHCITO-UHFFFAOYSA-N 1 1 375.694 2.484 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNCc2cc(Br)sc2Br)C1 ZINC000641748267 653232776 /nfs/dbraw/zinc/23/27/76/653232776.db2.gz WJEPZAZLEONXGQ-LLVKDONJSA-N 1 1 384.137 2.429 20 0 GEADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(Br)n1 ZINC000774100394 653224505 /nfs/dbraw/zinc/22/45/05/653224505.db2.gz LKMUVGKNKSJJMQ-CHWSQXEVSA-N 1 1 397.317 2.470 20 0 GEADMO 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ZINC000809575861 653283654 /nfs/dbraw/zinc/28/36/54/653283654.db2.gz NFOQNKSZUZSAGR-AWEZNQCLSA-N 1 1 377.551 2.036 20 0 GEADMO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1nc2ccccn2c1Br ZINC000809642671 653286727 /nfs/dbraw/zinc/28/67/27/653286727.db2.gz JGBKGJYTAHSYPY-JSGCOSHPSA-N 1 1 384.274 2.007 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000684667039 653286988 /nfs/dbraw/zinc/28/69/88/653286988.db2.gz JWJHUAFZKDWDFP-JMGFVUJMSA-N 1 1 382.302 2.323 20 0 GEADMO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000684667039 653286998 /nfs/dbraw/zinc/28/69/98/653286998.db2.gz JWJHUAFZKDWDFP-JMGFVUJMSA-N 1 1 382.302 2.323 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000685102818 653295673 /nfs/dbraw/zinc/29/56/73/653295673.db2.gz JQNNBXHCUMZTNH-UHFFFAOYSA-N 1 1 396.329 2.174 20 0 GEADMO CN(C(=O)C(=O)NC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775173605 653300035 /nfs/dbraw/zinc/30/00/35/653300035.db2.gz NJFCSOHFEMPKNF-CABCVRRESA-N 1 1 384.307 2.029 20 0 GEADMO CC(C)COC[C@H](O)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685614330 653309234 /nfs/dbraw/zinc/30/92/34/653309234.db2.gz HMSDPLLXPLLUCG-CQSZACIVSA-N 1 1 383.290 2.153 20 0 GEADMO C[C@]1(CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1(Cl)Cl ZINC000835853112 653309508 /nfs/dbraw/zinc/30/95/08/653309508.db2.gz FYXQYTWYGKZMAP-HNNXBMFYSA-N 1 1 382.251 2.296 20 0 GEADMO NC(=O)Cc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000685623870 653309951 /nfs/dbraw/zinc/30/99/51/653309951.db2.gz DBGQLMSTPFPNSJ-UHFFFAOYSA-N 1 1 377.238 2.495 20 0 GEADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Br ZINC000874362786 653312316 /nfs/dbraw/zinc/31/23/16/653312316.db2.gz DNWVKCPRSHMIQQ-CABCVRRESA-N 1 1 380.286 2.391 20 0 GEADMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000685889781 653315665 /nfs/dbraw/zinc/31/56/65/653315665.db2.gz UGDQJBMKLFTUKJ-WDEREUQCSA-N 1 1 390.347 2.474 20 0 GEADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000857376879 653318053 /nfs/dbraw/zinc/31/80/53/653318053.db2.gz KRHMDABOSVZYTO-HZSPNIEDSA-N 1 1 376.328 2.019 20 0 GEADMO CC[NH+]1CCN(CCCCNC(=O)c2csc(Br)n2)CC1 ZINC000874467670 653321961 /nfs/dbraw/zinc/32/19/61/653321961.db2.gz URLMSZZDRAJXHM-UHFFFAOYSA-N 1 1 375.336 2.053 20 0 GEADMO CC[NH+](CC)CCCCNC(=O)c1cnc(I)c(O)c1 ZINC000874467456 653321986 /nfs/dbraw/zinc/32/19/86/653321986.db2.gz PDGVPUQPPBIOPR-UHFFFAOYSA-N 1 1 391.253 2.244 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1Br ZINC000775711524 653324691 /nfs/dbraw/zinc/32/46/91/653324691.db2.gz CVVRGSPFTYILAY-NSHDSACASA-N 1 1 389.315 2.272 20 0 GEADMO CC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1Br ZINC000775711524 653324695 /nfs/dbraw/zinc/32/46/95/653324695.db2.gz CVVRGSPFTYILAY-NSHDSACASA-N 1 1 389.315 2.272 20 0 GEADMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000810118514 653326983 /nfs/dbraw/zinc/32/69/83/653326983.db2.gz 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C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(I)c1O ZINC000874835220 653339127 /nfs/dbraw/zinc/33/91/27/653339127.db2.gz XULLDHKQXXGOLP-QWHCGFSZSA-N 1 1 386.233 2.306 20 0 GEADMO Cc1csc([C@](O)(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C(F)(F)F)n1 ZINC000874846570 653339478 /nfs/dbraw/zinc/33/94/78/653339478.db2.gz YOCZNVPREVJUJW-TYNCELHUSA-N 1 1 377.432 2.287 20 0 GEADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000810438371 653339672 /nfs/dbraw/zinc/33/96/72/653339672.db2.gz UBKQNSOSUYHOLM-GFCCVEGCSA-N 1 1 385.306 2.328 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000810496054 653342231 /nfs/dbraw/zinc/34/22/31/653342231.db2.gz NROCKLLBGDHQHH-LBPRGKRZSA-N 1 1 385.306 2.328 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318652 653344697 /nfs/dbraw/zinc/34/46/97/653344697.db2.gz OLFQPMGCIMLAKY-CZUORRHYSA-N 1 1 377.360 2.428 20 0 GEADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318652 653344700 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CC(C)n1ncc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000866092811 653785716 /nfs/dbraw/zinc/78/57/16/653785716.db2.gz RNCYVUIHMZOQAQ-CYBMUJFWSA-N 1 1 385.306 2.021 20 0 GEADMO O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(I)c1 ZINC000843363443 653785778 /nfs/dbraw/zinc/78/57/78/653785778.db2.gz ICNWUQSVIISKAR-UHFFFAOYSA-N 1 1 399.276 2.305 20 0 GEADMO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1cccc(I)c1 ZINC000843363443 653785779 /nfs/dbraw/zinc/78/57/79/653785779.db2.gz ICNWUQSVIISKAR-UHFFFAOYSA-N 1 1 399.276 2.305 20 0 GEADMO C[C@](N)(C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(Br)cc1 ZINC000843457025 653787364 /nfs/dbraw/zinc/78/73/64/653787364.db2.gz OIMXYACWTLAHPA-QGZVFWFLSA-N 1 1 392.301 2.383 20 0 GEADMO C[N@H+](CCn1cnc(Br)n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000821379473 653796521 /nfs/dbraw/zinc/79/65/21/653796521.db2.gz GPLMQWXHLZMSCM-ZDUSSCGKSA-N 1 1 398.692 2.431 20 0 GEADMO C[N@@H+](CCn1cnc(Br)n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000821379473 653796524 /nfs/dbraw/zinc/79/65/24/653796524.db2.gz 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NMIFLWCXOUAQDR-KBPBESRZSA-N 1 1 377.360 2.428 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984663 653831640 /nfs/dbraw/zinc/83/16/40/653831640.db2.gz NMIFLWCXOUAQDR-KBPBESRZSA-N 1 1 377.360 2.428 20 0 GEADMO C[C@H]1CC[C@@H]([NH2+]Cc2nc(Br)nn2C)CN1C(=O)OC(C)(C)C ZINC000895402762 653832828 /nfs/dbraw/zinc/83/28/28/653832828.db2.gz NJUORYDFQHYONU-WDEREUQCSA-N 1 1 388.310 2.455 20 0 GEADMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1Br ZINC000883281461 653833495 /nfs/dbraw/zinc/83/34/95/653833495.db2.gz NELPTDCEQYNHGZ-UHFFFAOYSA-N 1 1 378.274 2.310 20 0 GEADMO COC[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000883300026 653834579 /nfs/dbraw/zinc/83/45/79/653834579.db2.gz MDHBNURTTUAPDI-HNNXBMFYSA-N 1 1 376.469 2.492 20 0 GEADMO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c2cc(F)ccc21 ZINC000883361081 653837242 /nfs/dbraw/zinc/83/72/42/653837242.db2.gz STJASHUGGPIEPR-KOLCDFICSA-N 1 1 377.306 2.192 20 0 GEADMO 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ZINC000920273046 654207490 /nfs/dbraw/zinc/20/74/90/654207490.db2.gz AZOOJHNMODNZHM-GUIRCDHDSA-N 1 1 378.947 2.160 20 0 GEADMO C[N@@H+](CCn1cnc(Br)n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000851946816 654207926 /nfs/dbraw/zinc/20/79/26/654207926.db2.gz PJDPPMSWDMSKQV-LBPRGKRZSA-N 1 1 388.310 2.276 20 0 GEADMO Cc1cccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Cl ZINC000920276364 654208560 /nfs/dbraw/zinc/20/85/60/654208560.db2.gz WMXVTBZTMLUWFS-KNCCTNLNSA-N 1 1 386.945 2.406 20 0 GEADMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)[C@H]1C(C)C ZINC000920311346 654209686 /nfs/dbraw/zinc/20/96/86/654209686.db2.gz VTJUJEJTQPQNDR-KCYZZUKISA-N 1 1 382.517 2.211 20 0 GEADMO CCS(=O)(=O)NC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000903012238 654209820 /nfs/dbraw/zinc/20/98/20/654209820.db2.gz JAOGGXYBOCVJNT-UHFFFAOYSA-N 1 1 375.332 2.395 20 0 GEADMO CN1CC[NH+](Cc2ccc(CNC(=O)NCC3SCCS3)cc2)CC1 ZINC000851973796 654210350 /nfs/dbraw/zinc/21/03/50/654210350.db2.gz KATBUKDDWMEAOU-UHFFFAOYSA-N 1 1 380.583 2.039 20 0 GEADMO C[N@@H+](CCNC(=O)N1CCn2ncc(Br)c2C1)Cc1ccccc1 ZINC000852005040 654212179 /nfs/dbraw/zinc/21/21/79/654212179.db2.gz NAENWHIPTQHEKP-UHFFFAOYSA-N 1 1 392.301 2.303 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890319008 654214811 /nfs/dbraw/zinc/21/48/11/654214811.db2.gz DLFBYTHGRZXRKU-LLVKDONJSA-N 1 1 386.265 2.468 20 0 GEADMO C[N@@H+](CCc1cccc(Br)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852072840 654216472 /nfs/dbraw/zinc/21/64/72/654216472.db2.gz KMSWMPKSKADMCO-SFHVURJKSA-N 1 1 377.282 2.297 20 0 GEADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903117800 654217579 /nfs/dbraw/zinc/21/75/79/654217579.db2.gz GIXRRBDADWGCPZ-MNOVXSKESA-N 1 1 387.445 2.454 20 0 GEADMO O=C(/C=C\c1ccc(I)o1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802236897 654223349 /nfs/dbraw/zinc/22/33/49/654223349.db2.gz UPDWNMMXJVQLAL-MORRKMRCSA-N 1 1 379.169 2.484 20 0 GEADMO O=C(/C=C\c1ccc(I)o1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802236897 654223353 /nfs/dbraw/zinc/22/33/53/654223353.db2.gz UPDWNMMXJVQLAL-MORRKMRCSA-N 1 1 379.169 2.484 20 0 GEADMO CN(C)c1[nH+]cc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1C ZINC000852189310 654224525 /nfs/dbraw/zinc/22/45/25/654224525.db2.gz DCUOEIAXXJEATJ-CQSZACIVSA-N 1 1 386.283 2.326 20 0 GEADMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903206847 654226660 /nfs/dbraw/zinc/22/66/60/654226660.db2.gz UIIDFHDUUNBRNE-ZWNOBZJWSA-N 1 1 377.388 2.098 20 0 GEADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903213948 654227704 /nfs/dbraw/zinc/22/77/04/654227704.db2.gz QZNFCBHXMDMKDF-GFCCVEGCSA-N 1 1 381.885 2.366 20 0 GEADMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000903229106 654229459 /nfs/dbraw/zinc/22/94/59/654229459.db2.gz DMJHOPXJPSSQCG-LLVKDONJSA-N 1 1 384.470 2.304 20 0 GEADMO CC(C)COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903229902 654230389 /nfs/dbraw/zinc/23/03/89/654230389.db2.gz 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CO[C@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCS(=O)(=O)C1 ZINC000903365440 654235813 /nfs/dbraw/zinc/23/58/13/654235813.db2.gz NMTSJGOSEMIRCJ-ZFWWWQNUSA-N 1 1 392.290 2.369 20 0 GEADMO C[C@](CO)(NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000890632948 654235783 /nfs/dbraw/zinc/23/57/83/654235783.db2.gz ULQAZUDPZMAJHP-GOSISDBHSA-N 1 1 399.329 2.275 20 0 GEADMO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852429999 654238337 /nfs/dbraw/zinc/23/83/37/654238337.db2.gz DFCCGCYNSDQZKQ-DOMZBBRYSA-N 1 1 396.285 2.153 20 0 GEADMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852429999 654238345 /nfs/dbraw/zinc/23/83/45/654238345.db2.gz DFCCGCYNSDQZKQ-DOMZBBRYSA-N 1 1 396.285 2.153 20 0 GEADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434740 654239171 /nfs/dbraw/zinc/23/91/71/654239171.db2.gz GTWXXAXPXIOQKP-HNNXBMFYSA-N 1 1 386.279 2.478 20 0 GEADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852434740 654239175 /nfs/dbraw/zinc/23/91/75/654239175.db2.gz GTWXXAXPXIOQKP-HNNXBMFYSA-N 1 1 386.279 2.478 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000802739739 654239382 /nfs/dbraw/zinc/23/93/82/654239382.db2.gz XSHIWKBZTBRRCY-ZDUSSCGKSA-N 1 1 396.329 2.139 20 0 GEADMO Fc1cc(Br)cnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506419 654242759 /nfs/dbraw/zinc/24/27/59/654242759.db2.gz SWYYFVDBYKEQJX-GASCZTMLSA-N 1 1 383.309 2.384 20 0 GEADMO Fc1cc(Br)cnc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506419 654242762 /nfs/dbraw/zinc/24/27/62/654242762.db2.gz SWYYFVDBYKEQJX-GASCZTMLSA-N 1 1 383.309 2.384 20 0 GEADMO O[C@@H](Cn1cc(CCC[NH+]2CCOCC2)nn1)c1ccc(Br)cc1 ZINC000871619083 654246669 /nfs/dbraw/zinc/24/66/69/654246669.db2.gz JYRCFJWXVYFBQV-KRWDZBQOSA-N 1 1 395.301 2.039 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1-c1ccno1 ZINC000921321380 654247209 /nfs/dbraw/zinc/24/72/09/654247209.db2.gz DTTMBGDLDVNDNY-LSDHHAIUSA-N 1 1 379.507 2.200 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1-c1ccno1 ZINC000921321380 654247214 /nfs/dbraw/zinc/24/72/14/654247214.db2.gz DTTMBGDLDVNDNY-LSDHHAIUSA-N 1 1 379.507 2.200 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322586 654247875 /nfs/dbraw/zinc/24/78/75/654247875.db2.gz VJGRNZIOOOFPOA-RYUDHWBXSA-N 1 1 386.930 2.074 20 0 GEADMO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322586 654247877 /nfs/dbraw/zinc/24/78/77/654247877.db2.gz VJGRNZIOOOFPOA-RYUDHWBXSA-N 1 1 386.930 2.074 20 0 GEADMO CN1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000852578001 654248191 /nfs/dbraw/zinc/24/81/91/654248191.db2.gz NVKWXPOHLPPQIZ-HNNXBMFYSA-N 1 1 375.694 2.474 20 0 GEADMO CN1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000852578001 654248193 /nfs/dbraw/zinc/24/81/93/654248193.db2.gz NVKWXPOHLPPQIZ-HNNXBMFYSA-N 1 1 375.694 2.474 20 0 GEADMO O=C(NCC1(n2cc(Br)cn2)CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000832251325 654253715 /nfs/dbraw/zinc/25/37/15/654253715.db2.gz LQNDWCIDUCBGSW-UHFFFAOYSA-N 1 1 394.273 2.149 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CF)C2)cc1Br ZINC000891026280 654258833 /nfs/dbraw/zinc/25/88/33/654258833.db2.gz FYWFXKYFMOSOQJ-NSHDSACASA-N 1 1 386.265 2.267 20 0 GEADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000903576432 654259717 /nfs/dbraw/zinc/25/97/17/654259717.db2.gz RWJJYDMZZIVUIK-HNNXBMFYSA-N 1 1 381.523 2.118 20 0 GEADMO CC(C)(C)S(=O)(=O)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852805863 654261219 /nfs/dbraw/zinc/26/12/19/654261219.db2.gz NYEJXWFYZWYDFL-UHFFFAOYSA-N 1 1 395.344 2.057 20 0 GEADMO O=C(NC[C@@H]1COCO1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487154 654274028 /nfs/dbraw/zinc/27/40/28/654274028.db2.gz CJNVTDBTIWMVLU-MRXNPFEDSA-N 1 1 398.301 2.086 20 0 GEADMO COC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc(Br)c1 ZINC000871924097 654279987 /nfs/dbraw/zinc/27/99/87/654279987.db2.gz CSPIQQNJNKLVQX-HZMBPMFUSA-N 1 1 384.274 2.103 20 0 GEADMO C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000921554196 654280183 /nfs/dbraw/zinc/28/01/83/654280183.db2.gz MXVTULQTWRGSIU-RCBQFDQVSA-N 1 1 397.317 2.410 20 0 GEADMO C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000921554196 654280191 /nfs/dbraw/zinc/28/01/91/654280191.db2.gz MXVTULQTWRGSIU-RCBQFDQVSA-N 1 1 397.317 2.410 20 0 GEADMO C[N@H+]1CCn2nc(N[C@H]3CCN(c4cccc(Br)c4)C3=O)cc2C1 ZINC000871927538 654281634 /nfs/dbraw/zinc/28/16/34/654281634.db2.gz WPDHQFOEFAGGJO-HNNXBMFYSA-N 1 1 390.285 2.308 20 0 GEADMO O=S1(=O)N=C(Cl)c2ccc(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc21 ZINC000853152033 654281728 /nfs/dbraw/zinc/28/17/28/654281728.db2.gz OGXWIVSOYOVMGU-AWEZNQCLSA-N 1 1 383.901 2.065 20 0 GEADMO O=S1(=O)N=C(Cl)c2ccc(N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc21 ZINC000853152033 654281734 /nfs/dbraw/zinc/28/17/34/654281734.db2.gz OGXWIVSOYOVMGU-AWEZNQCLSA-N 1 1 383.901 2.065 20 0 GEADMO Cc1nc(Br)sc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000832634868 654282281 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CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832681145 654287280 /nfs/dbraw/zinc/28/72/80/654287280.db2.gz ZNQUZSLHSQNHDJ-LBPRGKRZSA-N 1 1 383.208 2.435 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)NCC2SCCS2)c2cccs2)CC1 ZINC000853235409 654288555 /nfs/dbraw/zinc/28/85/55/654288555.db2.gz OUGMRSVCMUTNNH-CYBMUJFWSA-N 1 1 386.612 2.142 20 0 GEADMO C[C@H](CNc1nc(Cl)nc2c(Br)c[nH]c21)[NH+]1CCN(C)CC1 ZINC000853258685 654289779 /nfs/dbraw/zinc/28/97/79/654289779.db2.gz ZGIPELZFZMLSDG-SECBINFHSA-N 1 1 387.713 2.422 20 0 GEADMO CCCN(C(=O)C(=O)Nc1cc(C)cnc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000832742258 654292378 /nfs/dbraw/zinc/29/23/78/654292378.db2.gz DLZDQZYWDZVETR-LBPRGKRZSA-N 1 1 383.290 2.034 20 0 GEADMO CCCN(C(=O)C(=O)Nc1ccc(Br)nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000832742715 654292436 /nfs/dbraw/zinc/29/24/36/654292436.db2.gz MUONEVXDRLAXBE-GFCCVEGCSA-N 1 1 383.290 2.034 20 0 GEADMO CCCN(C(=O)C(=O)Nc1ccc(C)c(Br)n1)[C@H]1CC[N@@H+](C)C1 ZINC000832743361 654292953 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GEADMO CCCNC(=O)C1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000893920291 654431679 /nfs/dbraw/zinc/43/16/79/654431679.db2.gz PPXXVCAQCBBSFL-UHFFFAOYSA-N 1 1 386.949 2.371 20 0 GEADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000906373758 654431946 /nfs/dbraw/zinc/43/19/46/654431946.db2.gz BCDMQSFYZDYTQK-VXGBXAGGSA-N 1 1 375.357 2.069 20 0 GEADMO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000923290510 654441602 /nfs/dbraw/zinc/44/16/02/654441602.db2.gz XXKAYQPSBDPIDP-SLEUVZQESA-N 1 1 375.282 2.387 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(I)cnn2C)C1 ZINC000894062922 654443465 /nfs/dbraw/zinc/44/34/65/654443465.db2.gz GVMFWKPZNUGPLQ-LBPRGKRZSA-N 1 1 376.286 2.188 20 0 GEADMO Cn1ncc(I)c1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000894087223 654445610 /nfs/dbraw/zinc/44/56/10/654445610.db2.gz VSSQDRJSMVELQC-ZDUSSCGKSA-N 1 1 388.297 2.188 20 0 GEADMO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923369894 654447441 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/nfs/dbraw/zinc/18/04/25/532180425.db2.gz JJIDKODDGSOGFB-AWEZNQCLSA-N 1 1 397.313 2.374 20 0 GEADMO Brc1cc2c(cc1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)OCCO2 ZINC000129595268 532180426 /nfs/dbraw/zinc/18/04/26/532180426.db2.gz JJIDKODDGSOGFB-AWEZNQCLSA-N 1 1 397.313 2.374 20 0 GEADMO COCC[NH+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000129688694 532181666 /nfs/dbraw/zinc/18/16/66/532181666.db2.gz DWQDIDLQFWNWDT-UHFFFAOYSA-N 1 1 380.286 2.264 20 0 GEADMO O=C(/C=C/c1c(Cl)nc2sccn12)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000129009846 532171137 /nfs/dbraw/zinc/17/11/37/532171137.db2.gz GEHVOIIPLDVFPE-DRHCNIFCSA-N 1 1 380.901 2.432 20 0 GEADMO O=C(/C=C/c1c(Cl)nc2sccn12)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000129009846 532171143 /nfs/dbraw/zinc/17/11/43/532171143.db2.gz GEHVOIIPLDVFPE-DRHCNIFCSA-N 1 1 380.901 2.432 20 0 GEADMO O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176195 532174324 /nfs/dbraw/zinc/17/43/24/532174324.db2.gz FEQNPFSFXSUTHI-HNNXBMFYSA-N 1 1 396.329 2.432 20 0 GEADMO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000129366316 532177586 /nfs/dbraw/zinc/17/75/86/532177586.db2.gz OIJQIMQDZSQQSG-CYBMUJFWSA-N 1 1 394.368 2.296 20 0 GEADMO COc1ccc(Br)c(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000178420382 532200998 /nfs/dbraw/zinc/20/09/98/532200998.db2.gz ONCOJQBTSQKEIE-INIZCTEOSA-N 1 1 399.329 2.473 20 0 GEADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1cc(Br)ccc1F ZINC000131293709 532195429 /nfs/dbraw/zinc/19/54/29/532195429.db2.gz AURYECCYDCLOMF-CYBMUJFWSA-N 1 1 386.309 2.273 20 0 GEADMO C[C@H]1C[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000178182843 532196246 /nfs/dbraw/zinc/19/62/46/532196246.db2.gz UGRHTIUZJZBVAU-PJODQICGSA-N 1 1 382.302 2.407 20 0 GEADMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000131458482 532197834 /nfs/dbraw/zinc/19/78/34/532197834.db2.gz XJEQAZAWKGBQGP-LLVKDONJSA-N 1 1 393.709 2.428 20 0 GEADMO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131566298 532199756 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Cc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)nc3)CC2)nc(C)[nH+]1 ZINC000178603839 532207384 /nfs/dbraw/zinc/20/73/84/532207384.db2.gz BUWJDDXOOKYAKI-UHFFFAOYSA-N 1 1 381.889 2.089 20 0 GEADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000131695002 532202691 /nfs/dbraw/zinc/20/26/91/532202691.db2.gz YUBQCLCCBUJKCZ-CQSZACIVSA-N 1 1 380.286 2.459 20 0 GEADMO COc1cc(CNC(=O)c2csc(C[NH3+])n2)cc(Br)c1OC ZINC000178488978 532203318 /nfs/dbraw/zinc/20/33/18/532203318.db2.gz BAIOKWXCVPWENU-UHFFFAOYSA-N 1 1 386.271 2.312 20 0 GEADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000179395076 532229465 /nfs/dbraw/zinc/22/94/65/532229465.db2.gz RPBTUFQLISDPKW-NSHDSACASA-N 1 1 377.229 2.256 20 0 GEADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1nccs1 ZINC000179414764 532230830 /nfs/dbraw/zinc/23/08/30/532230830.db2.gz OTFRUVCJAJKCPJ-UKRRQHHQSA-N 1 1 381.523 2.451 20 0 GEADMO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000133301385 532231149 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COc1nc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ncc1Br ZINC000179261491 532226741 /nfs/dbraw/zinc/22/67/41/532226741.db2.gz IBMRICOQJDCJRU-UONOGXRCSA-N 1 1 393.285 2.295 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000133908314 532245741 /nfs/dbraw/zinc/24/57/41/532245741.db2.gz YYBLAQOYWXLKPS-LLVKDONJSA-N 1 1 386.265 2.327 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c(Cl)cc1Cl ZINC000179820745 532246348 /nfs/dbraw/zinc/24/63/48/532246348.db2.gz FOTHJIHGTOSZRM-UHFFFAOYSA-N 1 1 381.281 2.106 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c(Cl)cc1Cl ZINC000179820745 532246350 /nfs/dbraw/zinc/24/63/50/532246350.db2.gz FOTHJIHGTOSZRM-UHFFFAOYSA-N 1 1 381.281 2.106 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000133963834 532247170 /nfs/dbraw/zinc/24/71/70/532247170.db2.gz NTWKLLDDXAMCSD-CYBMUJFWSA-N 1 1 382.302 2.496 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134014526 532247588 /nfs/dbraw/zinc/24/75/88/532247588.db2.gz VQTNBYIGCXAHQH-WWGRRREGSA-N 1 1 384.318 2.398 20 0 GEADMO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134014526 532247591 /nfs/dbraw/zinc/24/75/91/532247591.db2.gz VQTNBYIGCXAHQH-WWGRRREGSA-N 1 1 384.318 2.398 20 0 GEADMO COc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1O ZINC000179872229 532247702 /nfs/dbraw/zinc/24/77/02/532247702.db2.gz KOKHNGZLCCWEML-UHFFFAOYSA-N 1 1 382.507 2.405 20 0 GEADMO C[C@@H](CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000179892430 532248802 /nfs/dbraw/zinc/24/88/02/532248802.db2.gz SSNOCZYOZHNJSW-GUYCJALGSA-N 1 1 388.339 2.417 20 0 GEADMO O=C([C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1)N1CCOCC1 ZINC000179893861 532248951 /nfs/dbraw/zinc/24/89/51/532248951.db2.gz YGNNBRLHMHWDKS-ZDUSSCGKSA-N 1 1 383.286 2.226 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179623149 532239379 /nfs/dbraw/zinc/23/93/79/532239379.db2.gz SFGQCOJAUSMOGL-CYBMUJFWSA-N 1 1 380.290 2.438 20 0 GEADMO COC(=O)[C@@H](O)C1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000135350479 532271600 /nfs/dbraw/zinc/27/16/00/532271600.db2.gz SIAWLZAXZISLDP-IZHWHUGBSA-N 1 1 394.320 2.347 20 0 GEADMO Cn1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c(=O)n(C)c1=O ZINC000180032174 532255171 /nfs/dbraw/zinc/25/51/71/532255171.db2.gz UNGSIQWQQWTTOG-UHFFFAOYSA-N 1 1 378.270 2.011 20 0 GEADMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134447974 532256601 /nfs/dbraw/zinc/25/66/01/532256601.db2.gz KMGNMHWNXAFSPA-NEPJUHHUSA-N 1 1 377.432 2.325 20 0 GEADMO Cc1nc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)sc1Br ZINC000180107152 532258019 /nfs/dbraw/zinc/25/80/19/532258019.db2.gz WKTOCEPVJFMCAP-VIFPVBQESA-N 1 1 384.365 2.469 20 0 GEADMO C[N@H+](Cc1ccc(Br)c2cccnc12)C[C@@H](O)CN1CCOCC1 ZINC000180184682 532261112 /nfs/dbraw/zinc/26/11/12/532261112.db2.gz YSTWMEIDXGZPOM-OAHLLOKOSA-N 1 1 394.313 2.122 20 0 GEADMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)C[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135071083 532266847 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GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)ccc2Br)[C@@H](C)C1 ZINC000180819159 532282277 /nfs/dbraw/zinc/28/22/77/532282277.db2.gz QBKGIFOEKCUNEE-NSHDSACASA-N 1 1 387.249 2.298 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C)[C@H](C)C1 ZINC000180875946 532284791 /nfs/dbraw/zinc/28/47/91/532284791.db2.gz FONSXDLDBJRWFI-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C)[C@H](C)C1 ZINC000180875946 532284797 /nfs/dbraw/zinc/28/47/97/532284797.db2.gz FONSXDLDBJRWFI-CYBMUJFWSA-N 1 1 383.286 2.467 20 0 GEADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000180875218 532285096 /nfs/dbraw/zinc/28/50/96/532285096.db2.gz CVASEUOSJBLEQG-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000180875218 532285098 /nfs/dbraw/zinc/28/50/98/532285098.db2.gz CVASEUOSJBLEQG-ZDUSSCGKSA-N 1 1 383.286 2.087 20 0 GEADMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000137062031 532288711 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/nfs/dbraw/zinc/82/79/71/532827971.db2.gz OAUJORXTGRIRFS-LBPRGKRZSA-N 1 1 378.274 2.196 20 0 GEADMO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330897889 532829307 /nfs/dbraw/zinc/82/93/07/532829307.db2.gz HYJYGZAIZXTFAA-SLEUVZQESA-N 1 1 382.302 2.166 20 0 GEADMO CCN1CC[NH+]([C@H]2CCN(Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699419 532831669 /nfs/dbraw/zinc/83/16/69/532831669.db2.gz CVEMBPQXECUJRS-HNNXBMFYSA-N 1 1 398.345 2.375 20 0 GEADMO Cc1cc(Br)c2c(c1)CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414760065 532834410 /nfs/dbraw/zinc/83/44/10/532834410.db2.gz PVXOOUBGMUUKPA-CQSZACIVSA-N 1 1 380.330 2.313 20 0 GEADMO COc1cccc(COC[C@H](O)C[N@@H+](C)CCn2cc(Br)cn2)c1 ZINC000288646340 532833841 /nfs/dbraw/zinc/83/38/41/532833841.db2.gz AXVSBSFMHUCQFN-MRXNPFEDSA-N 1 1 398.301 2.164 20 0 GEADMO COc1cc(C[NH2+]C[C@H]2CNCCN2C)cc(Br)c1OC(F)F ZINC000414960501 532836049 /nfs/dbraw/zinc/83/60/49/532836049.db2.gz GYILWLLWINRVCC-LLVKDONJSA-N 1 1 394.260 2.052 20 0 GEADMO COc1cc(CNC[C@@H]2CCC[NH2+]C2)cc(I)c1OC ZINC000414834550 532835456 /nfs/dbraw/zinc/83/54/56/532835456.db2.gz SPCMDHAGJQTUND-LLVKDONJSA-N 1 1 390.265 2.398 20 0 GEADMO O=C(CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccccc1Br ZINC000273950516 532837526 /nfs/dbraw/zinc/83/75/26/532837526.db2.gz HKFCOLVNQMCFIM-CYBMUJFWSA-N 1 1 395.301 2.314 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415112656 532837829 /nfs/dbraw/zinc/83/78/29/532837829.db2.gz CZUNKOJAOLHYGW-UHFFFAOYSA-N 1 1 391.106 2.285 20 0 GEADMO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415142646 532838895 /nfs/dbraw/zinc/83/88/95/532838895.db2.gz QJLUPMULEWACFQ-UHFFFAOYSA-N 1 1 379.302 2.229 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000331420501 532839095 /nfs/dbraw/zinc/83/90/95/532839095.db2.gz ATZGKYUANUZYAL-BONVTDFDSA-N 1 1 389.315 2.219 20 0 GEADMO CCn1c(C[N@@H+]2CC[C@@H](SC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000331446766 532839690 /nfs/dbraw/zinc/83/96/90/532839690.db2.gz IAVYAVGKCHZXLF-CYBMUJFWSA-N 1 1 382.555 2.244 20 0 GEADMO CCn1c(C[N@H+]2CC[C@@H](SC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000331446766 532839691 /nfs/dbraw/zinc/83/96/91/532839691.db2.gz IAVYAVGKCHZXLF-CYBMUJFWSA-N 1 1 382.555 2.244 20 0 GEADMO CNC(=O)CCCN(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000359997877 212132354 /nfs/dbraw/zinc/13/23/54/212132354.db2.gz VMRLRSMLZSUMLF-HSALFYBXSA-N 1 1 386.540 2.455 20 0 GEADMO COc1ccccc1OCCN(C)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000359974436 212129201 /nfs/dbraw/zinc/12/92/01/212129201.db2.gz OGJVNBRIYRJVLV-UHFFFAOYSA-N 1 1 386.496 2.271 20 0 GEADMO COc1ccccc1OCCN(C)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000359974436 212129206 /nfs/dbraw/zinc/12/92/06/212129206.db2.gz OGJVNBRIYRJVLV-UHFFFAOYSA-N 1 1 386.496 2.271 20 0 GEADMO NC(=O)C1([NH+]2CCN(Cc3nc4ccccc4n3C(F)F)CC2)CCCC1 ZINC000359869881 212120907 /nfs/dbraw/zinc/12/09/07/212120907.db2.gz LYRJFRKCUAYCBZ-UHFFFAOYSA-N 1 1 377.439 2.347 20 0 GEADMO C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC000359897723 212123555 /nfs/dbraw/zinc/12/35/55/212123555.db2.gz KTUAACWZLYBNMH-RHSMWYFYSA-N 1 1 387.505 2.209 20 0 GEADMO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC000359897723 212123558 /nfs/dbraw/zinc/12/35/58/212123558.db2.gz KTUAACWZLYBNMH-RHSMWYFYSA-N 1 1 387.505 2.209 20 0 GEADMO O=C1[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C1CCOCC1 ZINC000359893586 212122438 /nfs/dbraw/zinc/12/24/38/212122438.db2.gz DULCKRSPZSEPMK-BDKRGJGYSA-N 1 1 383.536 2.267 20 0 GEADMO O=C1[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C1CCOCC1 ZINC000359893586 212122441 /nfs/dbraw/zinc/12/24/41/212122441.db2.gz DULCKRSPZSEPMK-BDKRGJGYSA-N 1 1 383.536 2.267 20 0 GEADMO CC[N@H+]1CCC[C@@H](CN(C)[C@H](C)c2nc(COC)no2)[C@@H]1c1cnn(C)c1 ZINC000328627648 212086675 /nfs/dbraw/zinc/08/66/75/212086675.db2.gz GJZUHPVSWUFSGE-RVKKMQEKSA-N 1 1 376.505 2.416 20 0 GEADMO Cc1nn2cc(S(=O)(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cnc2c1Cl ZINC000331559164 532841053 /nfs/dbraw/zinc/84/10/53/532841053.db2.gz JFVKZIBUOGNCNE-LBPRGKRZSA-N 1 1 385.921 2.234 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000331681884 532842267 /nfs/dbraw/zinc/84/22/67/532842267.db2.gz TZYSPUOVDJIGFV-GOEBONIOSA-N 1 1 382.302 2.456 20 0 GEADMO CC(C)N(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000288953102 532842632 /nfs/dbraw/zinc/84/26/32/532842632.db2.gz XJJHWMBKSXCWFL-UHFFFAOYSA-N 1 1 396.329 2.397 20 0 GEADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000288941016 532842641 /nfs/dbraw/zinc/84/26/41/532842641.db2.gz ZZMIKGDIXZFASD-AWEZNQCLSA-N 1 1 386.338 2.409 20 0 GEADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000274159706 532842690 /nfs/dbraw/zinc/84/26/90/532842690.db2.gz GHHFUNRQOURARX-WFASDCNBSA-N 1 1 377.286 2.433 20 0 GEADMO CSc1ccc(Cl)cc1NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000288973651 532843406 /nfs/dbraw/zinc/84/34/06/532843406.db2.gz XEGPUGZAGOZYNJ-UHFFFAOYSA-N 1 1 386.949 2.000 20 0 GEADMO CSc1ccc(Cl)cc1NC(=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000288973651 532843408 /nfs/dbraw/zinc/84/34/08/532843408.db2.gz XEGPUGZAGOZYNJ-UHFFFAOYSA-N 1 1 386.949 2.000 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000288963443 532843344 /nfs/dbraw/zinc/84/33/44/532843344.db2.gz PYFXKTOFEYFRJG-IUODEOHRSA-N 1 1 394.313 2.149 20 0 GEADMO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cnn3C)cn2)C[C@H](C)O1 ZINC000331917392 532846444 /nfs/dbraw/zinc/84/64/44/532846444.db2.gz ZNMQNWZPSQSFKM-STQMWFEESA-N 1 1 394.317 2.481 20 0 GEADMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(Br)cnn3C)cn2)C[C@H](C)O1 ZINC000331917386 532846693 /nfs/dbraw/zinc/84/66/93/532846693.db2.gz ZNMQNWZPSQSFKM-BETUJISGSA-N 1 1 394.317 2.481 20 0 GEADMO COCCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000289120129 532848140 /nfs/dbraw/zinc/84/81/40/532848140.db2.gz WVWWUQQNGMKVGK-AWEZNQCLSA-N 1 1 387.318 2.391 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415497621 532847973 /nfs/dbraw/zinc/84/79/73/532847973.db2.gz ILJIORUIJFIQTJ-UHFFFAOYSA-N 1 1 392.229 2.683 20 0 GEADMO CCn1nc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c2ccccc21 ZINC000274383583 532848760 /nfs/dbraw/zinc/84/87/60/532848760.db2.gz AWFGDVFIWVRBLW-ZDUSSCGKSA-N 1 1 379.507 2.042 20 0 GEADMO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000274482123 532851052 /nfs/dbraw/zinc/85/10/52/532851052.db2.gz FMGFMBATXHBTCZ-UHFFFAOYSA-N 1 1 384.249 2.213 20 0 GEADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000274543675 532851811 /nfs/dbraw/zinc/85/18/11/532851811.db2.gz WIZAIKJWZUJLHK-ZDUSSCGKSA-N 1 1 387.933 2.193 20 0 GEADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000289327141 532852273 /nfs/dbraw/zinc/85/22/73/532852273.db2.gz LOGOTGCFLBVCFO-GFCCVEGCSA-N 1 1 386.495 2.326 20 0 GEADMO COC(=O)c1cc(NC(=O)NCC(F)(F)C[NH3+])c(C)cc1Br ZINC000415713196 532854738 /nfs/dbraw/zinc/85/47/38/532854738.db2.gz WNCUYTDNGXSWKQ-UHFFFAOYSA-N 1 1 380.189 2.260 20 0 GEADMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ncc(Br)cc1Br ZINC000274831920 532857387 /nfs/dbraw/zinc/85/73/87/532857387.db2.gz JXGMHBANVNOMDI-QMMMGPOBSA-N 1 1 379.096 2.421 20 0 GEADMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ncc(Br)cc1Br ZINC000274831920 532857390 /nfs/dbraw/zinc/85/73/90/532857390.db2.gz JXGMHBANVNOMDI-QMMMGPOBSA-N 1 1 379.096 2.421 20 0 GEADMO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[NH2+]C[C@@](C)(F)C3)cc2s1 ZINC000415772436 532857011 /nfs/dbraw/zinc/85/70/11/532857011.db2.gz FEYSUWMFQBIOFH-MRXNPFEDSA-N 1 1 384.864 2.357 20 0 GEADMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415770506 532857097 /nfs/dbraw/zinc/85/70/97/532857097.db2.gz BOHDREAFCPBCKV-AWEZNQCLSA-N 1 1 392.656 2.201 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cn(-c3cccc(Cl)c3Cl)nn1)C2 ZINC000274849160 532857988 /nfs/dbraw/zinc/85/79/88/532857988.db2.gz AUNXQOOLDOTGIN-UHFFFAOYSA-N 1 1 377.235 2.216 20 0 GEADMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cn(-c3cccc(Cl)c3Cl)nn1)C2 ZINC000274849160 532857991 /nfs/dbraw/zinc/85/79/91/532857991.db2.gz AUNXQOOLDOTGIN-UHFFFAOYSA-N 1 1 377.235 2.216 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC000332694714 532860640 /nfs/dbraw/zinc/86/06/40/532860640.db2.gz VRINNWMXEHVHGT-XPKDYRNWSA-N 1 1 394.313 2.401 20 0 GEADMO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000333047108 532863454 /nfs/dbraw/zinc/86/34/54/532863454.db2.gz GBLAVXRBWQOUNY-JTQLQIEISA-N 1 1 382.349 2.317 20 0 GEADMO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)sc1Br ZINC000333047108 532863455 /nfs/dbraw/zinc/86/34/55/532863455.db2.gz GBLAVXRBWQOUNY-JTQLQIEISA-N 1 1 382.349 2.317 20 0 GEADMO COc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275135812 532865739 /nfs/dbraw/zinc/86/57/39/532865739.db2.gz SWBSHNJBYGNCDR-LBPRGKRZSA-N 1 1 386.290 2.296 20 0 GEADMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289879539 532867116 /nfs/dbraw/zinc/86/71/16/532867116.db2.gz WBPJRJUEOBBMCM-SJKOYZFVSA-N 1 1 396.285 2.410 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289889786 532866870 /nfs/dbraw/zinc/86/68/70/532866870.db2.gz MHOYGKNRDSPJOL-HNNXBMFYSA-N 1 1 384.318 2.083 20 0 GEADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000289894181 532867261 /nfs/dbraw/zinc/86/72/61/532867261.db2.gz SBRFXDYXPCDJEF-CZUORRHYSA-N 1 1 382.302 2.183 20 0 GEADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000289894181 532867262 /nfs/dbraw/zinc/86/72/62/532867262.db2.gz SBRFXDYXPCDJEF-CZUORRHYSA-N 1 1 382.302 2.183 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333357217 532867665 /nfs/dbraw/zinc/86/76/65/532867665.db2.gz SEMZRNQZFYCQAS-UHFFFAOYSA-N 1 1 396.333 2.490 20 0 GEADMO CC(C)[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCN(C)CC1 ZINC000289955199 532868897 /nfs/dbraw/zinc/86/88/97/532868897.db2.gz QIKZVHYQVZEDSU-KRWDZBQOSA-N 1 1 394.361 2.458 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000416315201 532870256 /nfs/dbraw/zinc/87/02/56/532870256.db2.gz UIDZCGLLYRIGNR-CHWSQXEVSA-N 1 1 394.313 2.386 20 0 GEADMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000290021679 532870684 /nfs/dbraw/zinc/87/06/84/532870684.db2.gz MSVFVBOHGSJICW-CQSZACIVSA-N 1 1 389.315 2.036 20 0 GEADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000290021679 532870686 /nfs/dbraw/zinc/87/06/86/532870686.db2.gz MSVFVBOHGSJICW-CQSZACIVSA-N 1 1 389.315 2.036 20 0 GEADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC000290044828 532871120 /nfs/dbraw/zinc/87/11/20/532871120.db2.gz ZGLGBVWQOLXRJV-UHFFFAOYSA-N 1 1 383.945 2.491 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000416316388 532870986 /nfs/dbraw/zinc/87/09/86/532870986.db2.gz VSLWDCGKIRZJHU-UWWPHRKUSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000416316388 532870987 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CCC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736471262 598989774 /nfs/dbraw/zinc/98/97/74/598989774.db2.gz UONDVBQDSOKVMI-KBAYOESNSA-N 1 1 384.484 2.331 20 0 GEADMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000736612235 598994362 /nfs/dbraw/zinc/99/43/62/598994362.db2.gz MJKOWHVIYNTPCG-ROUUACIJSA-N 1 1 398.511 2.153 20 0 GEADMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C12CCCC2 ZINC000736612302 598994380 /nfs/dbraw/zinc/99/43/80/598994380.db2.gz NHLXNKWLOYNEHE-SJORKVTESA-N 1 1 384.484 2.475 20 0 GEADMO COc1cc(F)ccc1N1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000737053614 599061740 /nfs/dbraw/zinc/06/17/40/599061740.db2.gz JBXSSTMYIGTCBK-UHFFFAOYSA-N 1 1 383.431 2.353 20 0 GEADMO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000737738681 599068977 /nfs/dbraw/zinc/06/89/77/599068977.db2.gz HDQVSNUDUSLTRR-IBGZPJMESA-N 1 1 392.463 2.074 20 0 GEADMO Cc1nc([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000737473620 599072498 /nfs/dbraw/zinc/07/24/98/599072498.db2.gz FBQGSFYQKATMHU-CVEARBPZSA-N 1 1 397.508 2.346 20 0 GEADMO NC(=O)[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737266 599086028 /nfs/dbraw/zinc/08/60/28/599086028.db2.gz QHCDDGIHCAJUCN-GOSISDBHSA-N 1 1 377.452 2.496 20 0 GEADMO CN(C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736854703 599091006 /nfs/dbraw/zinc/09/10/06/599091006.db2.gz FIXKSTZOWCSSBO-CQSZACIVSA-N 1 1 396.451 2.205 20 0 GEADMO Cc1[nH+]ccn1CCCCNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000737501324 599103211 /nfs/dbraw/zinc/10/32/11/599103211.db2.gz URDBYIPFGNNFCE-UHFFFAOYSA-N 1 1 385.497 2.201 20 0 GEADMO c1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823767523 599106278 /nfs/dbraw/zinc/10/62/78/599106278.db2.gz SMTQPQXQMIAFAM-LJQANCHMSA-N 1 1 390.491 2.440 20 0 GEADMO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 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FEXHQWUJHGIVNR-OWDMVUQNSA-N 1 1 397.483 2.102 20 0 GEADMO Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H](O)COc2ccc(F)c(F)c2)[nH+]1 ZINC000737239557 598244840 /nfs/dbraw/zinc/24/48/40/598244840.db2.gz DIBJQWLSNCLJRU-LLVKDONJSA-N 1 1 376.367 2.009 20 0 GEADMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736248039 598249004 /nfs/dbraw/zinc/24/90/04/598249004.db2.gz IJMYBPGRZUYEEW-HZPDHXFCSA-N 1 1 398.511 2.499 20 0 GEADMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736908621 598249854 /nfs/dbraw/zinc/24/98/54/598249854.db2.gz HBXCISNCTBRLNA-QRTARXTBSA-N 1 1 380.452 2.426 20 0 GEADMO CN(C(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000736732448 598250936 /nfs/dbraw/zinc/25/09/36/598250936.db2.gz FNWKLSXCKYQKFS-UHFFFAOYSA-N 1 1 392.463 2.373 20 0 GEADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000735635738 598257206 /nfs/dbraw/zinc/25/72/06/598257206.db2.gz HSJXBHSTXDWUJC-LBPRGKRZSA-N 1 1 376.436 2.352 20 0 GEADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@H]1OCCc2ccccc21 ZINC000736792214 598257954 /nfs/dbraw/zinc/25/79/54/598257954.db2.gz LMHNYNNVXZPCPN-LJQANCHMSA-N 1 1 392.463 2.441 20 0 GEADMO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000735905938 598263216 /nfs/dbraw/zinc/26/32/16/598263216.db2.gz NRYWWVDIJLWUDO-OAHLLOKOSA-N 1 1 385.472 2.356 20 0 GEADMO CC1CCC([N@@H+](C)CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736239590 598334309 /nfs/dbraw/zinc/33/43/09/598334309.db2.gz HHBXPPVVFCMLRV-UHFFFAOYSA-N 1 1 397.483 2.099 20 0 GEADMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500943 598347062 /nfs/dbraw/zinc/34/70/62/598347062.db2.gz FUSIWTLJWOYHAS-OAHLLOKOSA-N 1 1 383.481 2.327 20 0 GEADMO CC(C)n1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000735961593 598347833 /nfs/dbraw/zinc/34/78/33/598347833.db2.gz RLCCHPGSIRIRII-UHFFFAOYSA-N 1 1 380.500 2.352 20 0 GEADMO CCCn1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000736503509 598348768 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377.452 2.380 20 0 GEADMO O=C(CC[N@@H+]1CCc2ccc(O)cc2CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737846804 598374211 /nfs/dbraw/zinc/37/42/11/598374211.db2.gz NQUMCDUBJHRBAO-UHFFFAOYSA-N 1 1 378.436 2.002 20 0 GEADMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876160 598396501 /nfs/dbraw/zinc/39/65/01/598396501.db2.gz HQLBLIOFBUJYJW-WBVHZDCISA-N 1 1 398.492 2.455 20 0 GEADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737876160 598396502 /nfs/dbraw/zinc/39/65/02/598396502.db2.gz HQLBLIOFBUJYJW-WBVHZDCISA-N 1 1 398.492 2.455 20 0 GEADMO CCOc1cccc(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)n1 ZINC000736654940 598406821 /nfs/dbraw/zinc/40/68/21/598406821.db2.gz NSYSQRVAAUQFKT-UHFFFAOYSA-N 1 1 383.431 2.122 20 0 GEADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000736479830 598476465 /nfs/dbraw/zinc/47/64/65/598476465.db2.gz IZVIZDFPJKDSAN-INIZCTEOSA-N 1 1 383.500 2.273 20 0 GEADMO 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C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000736199926 599338235 /nfs/dbraw/zinc/33/82/35/599338235.db2.gz ZLGBXFCSBGCBPT-KZNAEPCWSA-N 1 1 383.544 2.418 20 0 GEADMO Clc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)N1CCOCC1 ZINC000822586351 599399678 /nfs/dbraw/zinc/39/96/78/599399678.db2.gz WFIZZJYFVMRAEY-MRXNPFEDSA-N 1 1 388.859 2.276 20 0 GEADMO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)o1)COc1ccc(C(F)(F)F)cc1 ZINC000823689558 599415973 /nfs/dbraw/zinc/41/59/73/599415973.db2.gz HULDPOWREZCGLX-NSHDSACASA-N 1 1 383.330 2.008 20 0 GEADMO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)n2)cc1 ZINC000821769287 599428748 /nfs/dbraw/zinc/42/87/48/599428748.db2.gz GEAFKKJQEDMUOO-UHFFFAOYSA-N 1 1 391.435 2.359 20 0 GEADMO CCOCC[N@H+]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H]1CC ZINC000736624275 599429258 /nfs/dbraw/zinc/42/92/58/599429258.db2.gz UAVJPUMHXBAZBI-OAHLLOKOSA-N 1 1 381.484 2.352 20 0 GEADMO Clc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)N2CCOCC2)c1 ZINC000822586259 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C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820323692 599536078 /nfs/dbraw/zinc/53/60/78/599536078.db2.gz YTCSACNTONPKSM-DNVCBOLYSA-N 1 1 391.479 2.351 20 0 GEADMO CCc1nc2n(n1)C[C@H](Nc1c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc13)CC2 ZINC000821509442 599536310 /nfs/dbraw/zinc/53/63/10/599536310.db2.gz HADOZMDPBLQMPG-CYBMUJFWSA-N 1 1 389.467 2.034 20 0 GEADMO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000737941435 599577106 /nfs/dbraw/zinc/57/71/06/599577106.db2.gz AOXGGWYDHTVSOL-UHFFFAOYSA-N 1 1 386.525 2.436 20 0 GEADMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821599355 599582364 /nfs/dbraw/zinc/58/23/64/599582364.db2.gz PWWHOJKIDMFFBX-INIZCTEOSA-N 1 1 382.472 2.223 20 0 GEADMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820750990 599594542 /nfs/dbraw/zinc/59/45/42/599594542.db2.gz DYDULCCIDHUFNB-XFQXTVEOSA-N 1 1 395.463 2.068 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820750990 599594543 /nfs/dbraw/zinc/59/45/43/599594543.db2.gz DYDULCCIDHUFNB-XFQXTVEOSA-N 1 1 395.463 2.068 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@H]1C ZINC000821254366 599639137 /nfs/dbraw/zinc/63/91/37/599639137.db2.gz LLXCFYIWBVSBSQ-CZUORRHYSA-N 1 1 382.472 2.221 20 0 GEADMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890694 599643213 /nfs/dbraw/zinc/64/32/13/599643213.db2.gz OBZKOFUALRAYHQ-AWEZNQCLSA-N 1 1 380.452 2.377 20 0 GEADMO C[C@@H](C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[NH+]1CCCCCC1 ZINC000819882522 599662659 /nfs/dbraw/zinc/66/26/59/599662659.db2.gz AVBJADRWSIGANJ-ZDUSSCGKSA-N 1 1 397.439 2.224 20 0 GEADMO C[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820684393 599663128 /nfs/dbraw/zinc/66/31/28/599663128.db2.gz PBJZRYTXNDLVNV-FRRDWIJNSA-N 1 1 397.439 2.221 20 0 GEADMO 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COc1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc(OC)c1 ZINC000826179309 608514460 /nfs/dbraw/zinc/51/44/60/608514460.db2.gz IWJWYLDNYARPBP-UHFFFAOYSA-N 1 1 380.452 2.206 20 0 GEADMO CS(=O)(=O)Nc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826224019 608519239 /nfs/dbraw/zinc/51/92/39/608519239.db2.gz KQAZHSANAPTBOD-UHFFFAOYSA-N 1 1 398.492 2.403 20 0 GEADMO CN(C)c1ncc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000825884345 608584529 /nfs/dbraw/zinc/58/45/29/608584529.db2.gz ZSVGLZQQXDLYLV-UHFFFAOYSA-N 1 1 384.513 2.102 20 0 GEADMO c1ccc(N2CCC[N@H+](Cc3cccc4c3OCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000826516122 608585336 /nfs/dbraw/zinc/58/53/36/608585336.db2.gz XRELWZYWVAVECH-UHFFFAOYSA-N 1 1 378.436 2.308 20 0 GEADMO CCC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000825254524 608591316 /nfs/dbraw/zinc/59/13/16/608591316.db2.gz TWDIMIFOFFBAAS-KRWDZBQOSA-N 1 1 379.468 2.322 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)[C@@H](C)C[N@@H+]1C ZINC000824975341 608594347 /nfs/dbraw/zinc/59/43/47/608594347.db2.gz JVXHIZNMCZVVLG-KGLIPLIRSA-N 1 1 396.451 2.203 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)[C@@H](C)C[N@H+]1C ZINC000824975341 608594348 /nfs/dbraw/zinc/59/43/48/608594348.db2.gz JVXHIZNMCZVVLG-KGLIPLIRSA-N 1 1 396.451 2.203 20 0 GEADMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826333919 608691128 /nfs/dbraw/zinc/69/11/28/608691128.db2.gz ZKUVTKRMPQKCJV-INIZCTEOSA-N 1 1 377.456 2.202 20 0 GEADMO C/C(=C/c1ccccc1)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000823943085 608837375 /nfs/dbraw/zinc/83/73/75/608837375.db2.gz MRWVGNDQPPDJSA-IRVMHKCDSA-N 1 1 376.468 2.271 20 0 GEADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccco1 ZINC000826502995 608842865 /nfs/dbraw/zinc/84/28/65/608842865.db2.gz NZCQRRYAESRUFQ-ZBFHGGJFSA-N 1 1 379.424 2.196 20 0 GEADMO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824000028 608852931 /nfs/dbraw/zinc/85/29/31/608852931.db2.gz RDLDIVKBJBCITN-LJQANCHMSA-N 1 1 378.436 2.399 20 0 GEADMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000824000028 608852934 /nfs/dbraw/zinc/85/29/34/608852934.db2.gz RDLDIVKBJBCITN-LJQANCHMSA-N 1 1 378.436 2.399 20 0 GEADMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cn1 ZINC000824547476 609169040 /nfs/dbraw/zinc/16/90/40/609169040.db2.gz OTCFHQCDOMXYNW-PXAZEXFGSA-N 1 1 381.415 2.247 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CC[N@@H+]1CCO ZINC000446416174 649979951 /nfs/dbraw/zinc/97/99/51/649979951.db2.gz OCMXEIWDHHBSOY-GFCCVEGCSA-N 1 1 382.302 2.468 20 0 GEADMO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CC[N@H+]1CCO ZINC000446416174 649979953 /nfs/dbraw/zinc/97/99/53/649979953.db2.gz OCMXEIWDHHBSOY-GFCCVEGCSA-N 1 1 382.302 2.468 20 0 GEADMO O[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826506304 609282481 /nfs/dbraw/zinc/28/24/81/609282481.db2.gz RIIPNYRZZZIQMZ-HXUWFJFHSA-N 1 1 383.427 2.368 20 0 GEADMO 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C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572055 609326114 /nfs/dbraw/zinc/32/61/14/609326114.db2.gz SJRTUCDUCITXCD-KSSFIOAISA-N 1 1 396.470 2.076 20 0 GEADMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572053 609326222 /nfs/dbraw/zinc/32/62/22/609326222.db2.gz SJRTUCDUCITXCD-KDOFPFPSSA-N 1 1 396.470 2.076 20 0 GEADMO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572053 609326223 /nfs/dbraw/zinc/32/62/23/609326223.db2.gz SJRTUCDUCITXCD-KDOFPFPSSA-N 1 1 396.470 2.076 20 0 GEADMO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530462 609334080 /nfs/dbraw/zinc/33/40/80/609334080.db2.gz LVNYARNGCVJMBU-UGSOOPFHSA-N 1 1 382.443 2.356 20 0 GEADMO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000824191855 609336342 /nfs/dbraw/zinc/33/63/42/609336342.db2.gz HBWVOTBJHDRBKC-IBGZPJMESA-N 1 1 394.527 2.477 20 0 GEADMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826132355 609359763 /nfs/dbraw/zinc/35/97/63/609359763.db2.gz CTFPPBYPKKNVMM-GFCCVEGCSA-N 1 1 380.246 2.014 20 0 GEADMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826132355 609359764 /nfs/dbraw/zinc/35/97/64/609359764.db2.gz CTFPPBYPKKNVMM-GFCCVEGCSA-N 1 1 380.246 2.014 20 0 GEADMO C[N@H+](CCCn1ccnc1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825937716 609367291 /nfs/dbraw/zinc/36/72/91/609367291.db2.gz IWMSGUSPDYHPOW-UHFFFAOYSA-N 1 1 376.262 2.348 20 0 GEADMO C[N@@H+](CCCn1ccnc1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825937716 609367293 /nfs/dbraw/zinc/36/72/93/609367293.db2.gz IWMSGUSPDYHPOW-UHFFFAOYSA-N 1 1 376.262 2.348 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000824223446 609375655 /nfs/dbraw/zinc/37/56/55/609375655.db2.gz JSIQLRMIAAYPSO-HNNXBMFYSA-N 1 1 378.864 2.206 20 0 GEADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624974 609406761 /nfs/dbraw/zinc/40/67/61/609406761.db2.gz CZNYADSWZLVUOK-KBXCAEBGSA-N 1 1 396.470 2.423 20 0 GEADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624974 609406763 /nfs/dbraw/zinc/40/67/63/609406763.db2.gz CZNYADSWZLVUOK-KBXCAEBGSA-N 1 1 396.470 2.423 20 0 GEADMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624977 609406826 /nfs/dbraw/zinc/40/68/26/609406826.db2.gz CZNYADSWZLVUOK-KDOFPFPSSA-N 1 1 396.470 2.423 20 0 GEADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624977 609406828 /nfs/dbraw/zinc/40/68/28/609406828.db2.gz CZNYADSWZLVUOK-KDOFPFPSSA-N 1 1 396.470 2.423 20 0 GEADMO COc1cc(C)c(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000826178300 609408309 /nfs/dbraw/zinc/40/83/09/609408309.db2.gz RTQNFFJDFISTCO-UHFFFAOYSA-N 1 1 393.495 2.205 20 0 GEADMO C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824477977 609456226 /nfs/dbraw/zinc/45/62/26/609456226.db2.gz DQPIBOMCZUJGPZ-OXJNMPFZSA-N 1 1 390.491 2.436 20 0 GEADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446528908 649982925 /nfs/dbraw/zinc/98/29/25/649982925.db2.gz HLXIDJOZFBEQGA-UHFFFAOYSA-N 1 1 393.285 2.392 20 0 GEADMO COC[C@H](C)OC[C@@H](O)C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000447126895 649999025 /nfs/dbraw/zinc/99/90/25/649999025.db2.gz FOUKACLDWNTLME-RYUDHWBXSA-N 1 1 379.284 2.276 20 0 GEADMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000447126895 649999027 /nfs/dbraw/zinc/99/90/27/649999027.db2.gz FOUKACLDWNTLME-RYUDHWBXSA-N 1 1 379.284 2.276 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447143947 649999498 /nfs/dbraw/zinc/99/94/98/649999498.db2.gz HLVKSXNLURGDCX-UHFFFAOYSA-N 1 1 385.649 2.362 20 0 GEADMO CCC[C@H](CCCS(C)(=O)=O)C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000447525558 650007171 /nfs/dbraw/zinc/00/71/71/650007171.db2.gz AOKIXFLXTQWLPP-IKGGRYGDSA-N 1 1 390.615 2.266 20 0 GEADMO COC1(CO)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000447405585 650006380 /nfs/dbraw/zinc/00/63/80/650006380.db2.gz QASCQPMOOXOCRM-UHFFFAOYSA-N 1 1 375.296 2.125 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C1CC1)N(C)C ZINC000449085687 650031192 /nfs/dbraw/zinc/03/11/92/650031192.db2.gz AEBDBPOQLHQWAU-BLLLJJGKSA-N 1 1 398.345 2.392 20 0 GEADMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C1CC1)N(C)C ZINC000449085689 650031601 /nfs/dbraw/zinc/03/16/01/650031601.db2.gz AEBDBPOQLHQWAU-MLGOLLRUSA-N 1 1 398.345 2.392 20 0 GEADMO CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000449165457 650033557 /nfs/dbraw/zinc/03/35/57/650033557.db2.gz WDOFKVSJDFPZNM-DLBZAZTESA-N 1 1 380.330 2.306 20 0 GEADMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)CN1CCN1CCOCC1 ZINC000449226562 650034616 /nfs/dbraw/zinc/03/46/16/650034616.db2.gz RIQKCLQSAOCRQB-GFCCVEGCSA-N 1 1 378.325 2.078 20 0 GEADMO COc1nccc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000449245807 650035741 /nfs/dbraw/zinc/03/57/41/650035741.db2.gz BPHDRKIVLNVMRZ-OAHLLOKOSA-N 1 1 391.269 2.451 20 0 GEADMO 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GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487425998 650733407 /nfs/dbraw/zinc/73/34/07/650733407.db2.gz HEZSAOZSBKCUGV-GUYCJALGSA-N 1 1 396.329 2.436 20 0 GEADMO C[C@@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)[N@@H+](C)C1CC1 ZINC000487479738 650734328 /nfs/dbraw/zinc/73/43/28/650734328.db2.gz UAHOMLTXWSYGCD-ZDUSSCGKSA-N 1 1 384.318 2.436 20 0 GEADMO Brc1ccccc1-n1nnnc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000531547801 650740714 /nfs/dbraw/zinc/74/07/14/650740714.db2.gz IUTRKGZSILYQAR-JSGCOSHPSA-N 1 1 378.274 2.426 20 0 GEADMO Brc1ccccc1-n1nnnc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000531547801 650740715 /nfs/dbraw/zinc/74/07/15/650740715.db2.gz IUTRKGZSILYQAR-JSGCOSHPSA-N 1 1 378.274 2.426 20 0 GEADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)Sc1ccc(Br)cc1 ZINC000488310037 650744319 /nfs/dbraw/zinc/74/43/19/650744319.db2.gz HOMXSMVCNQBBLQ-BBRMVZONSA-N 1 1 398.370 2.436 20 0 GEADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000532128484 650745081 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COCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000025810628 642427888 /nfs/dbraw/zinc/42/78/88/642427888.db2.gz RBINXYYAPCBLIZ-UHFFFAOYSA-N 1 1 385.302 2.432 20 0 GEADMO Cc1c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000532857581 650754175 /nfs/dbraw/zinc/75/41/75/650754175.db2.gz NUUALLJVHFKAQQ-CQSZACIVSA-N 1 1 380.901 2.349 20 0 GEADMO Cc1c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000532857581 650754177 /nfs/dbraw/zinc/75/41/77/650754177.db2.gz NUUALLJVHFKAQQ-CQSZACIVSA-N 1 1 380.901 2.349 20 0 GEADMO CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1 ZINC000532927488 650755203 /nfs/dbraw/zinc/75/52/03/650755203.db2.gz WRLIHGCBULWNTN-UHFFFAOYSA-N 1 1 381.885 2.448 20 0 GEADMO CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1 ZINC000532927488 650755204 /nfs/dbraw/zinc/75/52/04/650755204.db2.gz WRLIHGCBULWNTN-UHFFFAOYSA-N 1 1 381.885 2.448 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000489276052 650756865 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ZINC000371739711 647795588 /nfs/dbraw/zinc/79/55/88/647795588.db2.gz PCJYJMXYULYQGJ-CXAGYDPISA-N 1 1 382.917 2.435 20 0 GEADMO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)s1 ZINC000371739034 647795775 /nfs/dbraw/zinc/79/57/75/647795775.db2.gz IVGUNIKMWXDQOO-GUYCJALGSA-N 1 1 382.555 2.405 20 0 GEADMO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)s1 ZINC000371739034 647795785 /nfs/dbraw/zinc/79/57/85/647795785.db2.gz IVGUNIKMWXDQOO-GUYCJALGSA-N 1 1 382.555 2.405 20 0 GEADMO CC(C)S(=O)(=O)CC[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000374650972 647824294 /nfs/dbraw/zinc/82/42/94/647824294.db2.gz ZDUDLAOSOQYVHK-UHFFFAOYSA-N 1 1 378.336 2.181 20 0 GEADMO COc1ccc(Br)cc1C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000375955010 647838024 /nfs/dbraw/zinc/83/80/24/647838024.db2.gz PTMSRGGQNPXKFE-CYBMUJFWSA-N 1 1 379.258 2.086 20 0 GEADMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000376082581 647838789 /nfs/dbraw/zinc/83/87/89/647838789.db2.gz VBQZYVBNQYWWFB-PBHICJAKSA-N 1 1 384.929 2.447 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1Br ZINC000377685496 647865167 /nfs/dbraw/zinc/86/51/67/647865167.db2.gz ZFTWBMMCTGJDGG-OUCADQQQSA-N 1 1 380.286 2.152 20 0 GEADMO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000377866289 647869907 /nfs/dbraw/zinc/86/99/07/647869907.db2.gz OHYAOIZCKYHEHA-KGLIPLIRSA-N 1 1 381.270 2.383 20 0 GEADMO NS(=O)(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000378614242 647885378 /nfs/dbraw/zinc/88/53/78/647885378.db2.gz DTXKCEFKZXHNAW-CABCVRRESA-N 1 1 378.523 2.034 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000392961968 647895144 /nfs/dbraw/zinc/89/51/44/647895144.db2.gz JUFZLAPWVCFFTH-OAHLLOKOSA-N 1 1 380.432 2.216 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000392961968 647895145 /nfs/dbraw/zinc/89/51/45/647895145.db2.gz JUFZLAPWVCFFTH-OAHLLOKOSA-N 1 1 380.432 2.216 20 0 GEADMO O=S1(=O)CCC[C@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000394535254 647896589 /nfs/dbraw/zinc/89/65/89/647896589.db2.gz RFPHWAIFNVUEQD-QMMMGPOBSA-N 1 1 398.120 2.273 20 0 GEADMO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000394535252 647896762 /nfs/dbraw/zinc/89/67/62/647896762.db2.gz RFPHWAIFNVUEQD-MRVPVSSYSA-N 1 1 398.120 2.273 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000398902987 647900733 /nfs/dbraw/zinc/90/07/33/647900733.db2.gz LJOGTPGFZNPZJV-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000398902987 647900737 /nfs/dbraw/zinc/90/07/37/647900737.db2.gz LJOGTPGFZNPZJV-ZDUSSCGKSA-N 1 1 391.331 2.147 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399467164 647901552 /nfs/dbraw/zinc/90/15/52/647901552.db2.gz LIIZBPUDBCOCLD-YPMHNXCESA-N 1 1 388.249 2.383 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399467164 647901559 /nfs/dbraw/zinc/90/15/59/647901559.db2.gz LIIZBPUDBCOCLD-YPMHNXCESA-N 1 1 388.249 2.383 20 0 GEADMO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1Cl ZINC000405706518 647911060 /nfs/dbraw/zinc/91/10/60/647911060.db2.gz QTFKBPXRPKOGBZ-NWDGAFQWSA-N 1 1 379.309 2.050 20 0 GEADMO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1Cl ZINC000405706518 647911066 /nfs/dbraw/zinc/91/10/66/647911066.db2.gz QTFKBPXRPKOGBZ-NWDGAFQWSA-N 1 1 379.309 2.050 20 0 GEADMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000408114462 647927151 /nfs/dbraw/zinc/92/71/51/647927151.db2.gz XYFIMLDOWSNJEG-NSHDSACASA-N 1 1 378.274 2.114 20 0 GEADMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000408114462 647927154 /nfs/dbraw/zinc/92/71/54/647927154.db2.gz XYFIMLDOWSNJEG-NSHDSACASA-N 1 1 378.274 2.114 20 0 GEADMO CC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@@H+]1C[C@H](C)O ZINC000408193507 647935419 /nfs/dbraw/zinc/93/54/19/647935419.db2.gz SJNLPTBAYBQQQZ-FGZQJIAISA-N 1 1 386.480 2.214 20 0 GEADMO CC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@H+]1C[C@H](C)O ZINC000408193507 647935425 /nfs/dbraw/zinc/93/54/25/647935425.db2.gz SJNLPTBAYBQQQZ-FGZQJIAISA-N 1 1 386.480 2.214 20 0 GEADMO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000408220512 647938659 /nfs/dbraw/zinc/93/86/59/647938659.db2.gz XFIGCBDZWNKXLO-HUUCEWRRSA-N 1 1 389.315 2.363 20 0 GEADMO Cc1nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(Br)s1 ZINC000408466488 647955823 /nfs/dbraw/zinc/95/58/23/647955823.db2.gz LLERZMGTPFAUSP-SECBINFHSA-N 1 1 376.320 2.131 20 0 GEADMO Cc1nc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(Br)s1 ZINC000408466488 647955826 /nfs/dbraw/zinc/95/58/26/647955826.db2.gz LLERZMGTPFAUSP-SECBINFHSA-N 1 1 376.320 2.131 20 0 GEADMO CS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000409449531 647961051 /nfs/dbraw/zinc/96/10/51/647961051.db2.gz MNFHOTMLIRQUNB-DOTOQJQBSA-N 1 1 385.551 2.455 20 0 GEADMO CS(=O)(=O)c1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000409449531 647961055 /nfs/dbraw/zinc/96/10/55/647961055.db2.gz MNFHOTMLIRQUNB-DOTOQJQBSA-N 1 1 385.551 2.455 20 0 GEADMO COc1ccc(Br)c(CS(=O)(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000409479657 647963952 /nfs/dbraw/zinc/96/39/52/647963952.db2.gz XPPSKJDHTGYTKZ-UHFFFAOYSA-N 1 1 389.315 2.139 20 0 GEADMO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410498357 648005544 /nfs/dbraw/zinc/00/55/44/648005544.db2.gz NYRGNAPSSJXUHY-MRXNPFEDSA-N 1 1 394.313 2.103 20 0 GEADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000410694816 648012638 /nfs/dbraw/zinc/01/26/38/648012638.db2.gz DEIMTZSKCKHMNL-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000410694816 648012645 /nfs/dbraw/zinc/01/26/45/648012645.db2.gz DEIMTZSKCKHMNL-INIZCTEOSA-N 1 1 396.329 2.206 20 0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000411237614 648028616 /nfs/dbraw/zinc/02/86/16/648028616.db2.gz BDDFBNYXZMCLJG-UHFFFAOYSA-N 1 1 376.682 2.417 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@@H+](C)C1 ZINC000413042057 648058502 /nfs/dbraw/zinc/05/85/02/648058502.db2.gz KHMPEFGJTXCCTH-TZMCWYRMSA-N 1 1 398.301 2.256 20 0 GEADMO COC(=O)[C@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)CC[N@@H+](C)C1 ZINC000413503379 648068207 /nfs/dbraw/zinc/06/82/07/648068207.db2.gz RYDVKQXGUOXOAB-SECBINFHSA-N 1 1 396.207 2.404 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416410987 648117034 /nfs/dbraw/zinc/11/70/34/648117034.db2.gz HUNAIRWLYXQCJA-LBPRGKRZSA-N 1 1 376.906 2.320 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCNc1cccc(C)[nH+]1 ZINC000416418310 648120814 /nfs/dbraw/zinc/12/08/14/648120814.db2.gz PFJFTEZMWYAVJN-UHFFFAOYSA-N 1 1 383.857 2.220 20 0 GEADMO COc1cc(OC)c(S(=O)(=O)NCCNc2cccc(C)[nH+]2)cc1Cl ZINC000416419272 648121355 /nfs/dbraw/zinc/12/13/55/648121355.db2.gz SDYDOOXWTWTLKJ-UHFFFAOYSA-N 1 1 385.873 2.451 20 0 GEADMO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)CCOCC2CCCC2)C[C@H](C)O1 ZINC000416426845 648124736 /nfs/dbraw/zinc/12/47/36/648124736.db2.gz KXHIXRHGWBMUOW-CALCHBBNSA-N 1 1 376.563 2.002 20 0 GEADMO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)CCOCC2CCCC2)C[C@H](C)O1 ZINC000416426845 648124737 /nfs/dbraw/zinc/12/47/37/648124737.db2.gz KXHIXRHGWBMUOW-CALCHBBNSA-N 1 1 376.563 2.002 20 0 GEADMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416523255 648158609 /nfs/dbraw/zinc/15/86/09/648158609.db2.gz JXIDLJAQUQLICL-AWEZNQCLSA-N 1 1 387.933 2.113 20 0 GEADMO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000416715480 648209013 /nfs/dbraw/zinc/20/90/13/648209013.db2.gz BJWLZSLIBYKXRI-IUODEOHRSA-N 1 1 397.317 2.007 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)ccc2C)CC[N@@H+](C)C1 ZINC000416783844 648212227 /nfs/dbraw/zinc/21/22/27/648212227.db2.gz WJIFTOCSNKMWOE-GFCCVEGCSA-N 1 1 384.274 2.326 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000417173958 648228461 /nfs/dbraw/zinc/22/84/61/648228461.db2.gz HHJARLWFBNXJQZ-OAHLLOKOSA-N 1 1 376.245 2.474 20 0 GEADMO Cc1csc([C@H](NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C(F)(F)F)n1 ZINC000417175441 648228611 /nfs/dbraw/zinc/22/86/11/648228611.db2.gz JMZGTTQCGQGTQN-TUAOUCFPSA-N 1 1 380.436 2.151 20 0 GEADMO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417731362 648259712 /nfs/dbraw/zinc/25/97/12/648259712.db2.gz OSSACUAYESSJII-GHMZBOCLSA-N 1 1 393.289 2.113 20 0 GEADMO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417731362 648259715 /nfs/dbraw/zinc/25/97/15/648259715.db2.gz OSSACUAYESSJII-GHMZBOCLSA-N 1 1 393.289 2.113 20 0 GEADMO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000417976513 648267739 /nfs/dbraw/zinc/26/77/39/648267739.db2.gz GEACGIRHULHBGX-GFCCVEGCSA-N 1 1 397.253 2.487 20 0 GEADMO COC[C@]1(CO)CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418111076 648281507 /nfs/dbraw/zinc/28/15/07/648281507.db2.gz GHMICJRQFZLYBK-CQSZACIVSA-N 1 1 379.213 2.261 20 0 GEADMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000418111076 648281509 /nfs/dbraw/zinc/28/15/09/648281509.db2.gz GHMICJRQFZLYBK-CQSZACIVSA-N 1 1 379.213 2.261 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000418115194 648282009 /nfs/dbraw/zinc/28/20/09/648282009.db2.gz PBBFQONAGKTUAI-UONOGXRCSA-N 1 1 399.329 2.497 20 0 GEADMO COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1OC ZINC000419324044 648347188 /nfs/dbraw/zinc/34/71/88/648347188.db2.gz JLZDICNVJOAZGU-STQMWFEESA-N 1 1 387.318 2.353 20 0 GEADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000419326744 648347599 /nfs/dbraw/zinc/34/75/99/648347599.db2.gz MRIKAFSEGGCXBV-NSCUQIJASA-N 1 1 379.353 2.488 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000419326744 648347602 /nfs/dbraw/zinc/34/76/02/648347602.db2.gz MRIKAFSEGGCXBV-NSCUQIJASA-N 1 1 379.353 2.488 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000419339147 648348265 /nfs/dbraw/zinc/34/82/65/648348265.db2.gz ZVVNDDVCJPAELB-UMVBOHGHSA-N 1 1 377.312 2.120 20 0 GEADMO 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C[N@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308978 652444944 /nfs/dbraw/zinc/44/49/44/652444944.db2.gz FOOXVAGQIBJDCK-SWLSCSKDSA-N 1 1 380.286 2.012 20 0 GEADMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662016171 652445507 /nfs/dbraw/zinc/44/55/07/652445507.db2.gz HCMLPZHBQBMODB-QWHCGFSZSA-N 1 1 390.311 2.421 20 0 GEADMO O[C@@H]1CC[N@H+](C2CCN(Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000662153657 652449210 /nfs/dbraw/zinc/44/92/10/652449210.db2.gz BJNPTQSCYJDDCG-MRXNPFEDSA-N 1 1 379.302 2.128 20 0 GEADMO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158852 652449515 /nfs/dbraw/zinc/44/95/15/652449515.db2.gz VHNFGRZKFXOHJG-CXAGYDPISA-N 1 1 396.329 2.307 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000582419985 652449604 /nfs/dbraw/zinc/44/96/04/652449604.db2.gz USYODLJSZJCUQZ-MRXNPFEDSA-N 1 1 381.249 2.408 20 0 GEADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000662200819 652451500 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[NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000662389246 652458779 /nfs/dbraw/zinc/45/87/79/652458779.db2.gz UMHGXGHDWFTWFO-IUODEOHRSA-N 1 1 390.285 2.024 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000628495149 652459739 /nfs/dbraw/zinc/45/97/39/652459739.db2.gz JPMJJXVBOXTVHH-LBPRGKRZSA-N 1 1 376.906 2.118 20 0 GEADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000628495149 652459742 /nfs/dbraw/zinc/45/97/42/652459742.db2.gz JPMJJXVBOXTVHH-LBPRGKRZSA-N 1 1 376.906 2.118 20 0 GEADMO [NH3+][C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000662425931 652460165 /nfs/dbraw/zinc/46/01/65/652460165.db2.gz PAEXIXWVILOODO-BXKDBHETSA-N 1 1 380.208 2.202 20 0 GEADMO CC(=O)NC[C@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419850 652460287 /nfs/dbraw/zinc/46/02/87/652460287.db2.gz OVTZVVFGSLVXSE-SNVBAGLBSA-N 1 1 386.315 2.102 20 0 GEADMO CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662430354 652460580 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GEADMO C[C@H]1C[NH+](CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)C[C@H](C)O1 ZINC000582857431 652464274 /nfs/dbraw/zinc/46/42/74/652464274.db2.gz OXTDOUYTYFRGJQ-GJZGRUSLSA-N 1 1 385.555 2.067 20 0 GEADMO CN(C)C(=O)c1ccnc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662506584 652465311 /nfs/dbraw/zinc/46/53/11/652465311.db2.gz KHJRUAXLTVDXFW-UHFFFAOYSA-N 1 1 395.282 2.463 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccccc1Br ZINC000662507218 652465342 /nfs/dbraw/zinc/46/53/42/652465342.db2.gz RCVGLRHFIGOPSJ-LRDDRELGSA-N 1 1 375.270 2.239 20 0 GEADMO CCO[C@@H]1C[C@H](NC(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H]1OC ZINC000662541232 652466777 /nfs/dbraw/zinc/46/67/77/652466777.db2.gz DWQJQSWASFBGSF-SBMIAAHKSA-N 1 1 375.288 2.036 20 0 GEADMO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000628679458 652467644 /nfs/dbraw/zinc/46/76/44/652467644.db2.gz UGJSHXZEARYHPN-XHBKTUGNSA-N 1 1 381.314 2.125 20 0 GEADMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000628750220 652469929 /nfs/dbraw/zinc/46/99/29/652469929.db2.gz RESWMMDTQSYPAQ-LLVKDONJSA-N 1 1 396.285 2.242 20 0 GEADMO C[N@H+]1CCCC[C@@H](CNC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000628748324 652469987 /nfs/dbraw/zinc/46/99/87/652469987.db2.gz VZFSOBKJFWNJAV-NSHDSACASA-N 1 1 388.331 2.089 20 0 GEADMO C[NH+](C)C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)c1ccc(Cl)cc1 ZINC000583016755 652471201 /nfs/dbraw/zinc/47/12/01/652471201.db2.gz GVGPUSGQIQFRFL-CYBMUJFWSA-N 1 1 388.839 2.441 20 0 GEADMO Nc1nccc([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)C2)n1 ZINC000662788047 652474566 /nfs/dbraw/zinc/47/45/66/652474566.db2.gz GQEZQADJFHSHBE-NHYWBVRUSA-N 1 1 390.285 2.227 20 0 GEADMO Cn1cc[nH+]c1[C@@H]1CCN(CN2C(=O)C(=O)c3ccc(Br)cc32)C1 ZINC000755792833 652476887 /nfs/dbraw/zinc/47/68/87/652476887.db2.gz XPJUKPIMODXJFV-LLVKDONJSA-N 1 1 389.253 2.159 20 0 GEADMO O=S(=O)(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000583257125 652478833 /nfs/dbraw/zinc/47/88/33/652478833.db2.gz IRPXLHAOVNLUQV-FVQBIDKESA-N 1 1 389.924 2.268 20 0 GEADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CCc2cc(Br)ccc21 ZINC000583502076 652487570 /nfs/dbraw/zinc/48/75/70/652487570.db2.gz ZTTXTXGMWXAULZ-WBVHZDCISA-N 1 1 381.314 2.442 20 0 GEADMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000756150325 652490429 /nfs/dbraw/zinc/49/04/29/652490429.db2.gz PUULLWQOBLTKKH-VXGBXAGGSA-N 1 1 378.274 2.194 20 0 GEADMO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)CN1CCCC1 ZINC000629567547 652493807 /nfs/dbraw/zinc/49/38/07/652493807.db2.gz FWMVDVOHTRCAQO-IBGZPJMESA-N 1 1 396.373 2.460 20 0 GEADMO CCS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000663364092 652495225 /nfs/dbraw/zinc/49/52/25/652495225.db2.gz JAPSKCGCIXUWTQ-UHFFFAOYSA-N 1 1 387.567 2.315 20 0 GEADMO OC[C@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCOC1 ZINC000583918021 652502457 /nfs/dbraw/zinc/50/24/57/652502457.db2.gz PDSSJUVYTZRCMW-KOLCDFICSA-N 1 1 388.287 2.438 20 0 GEADMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc(C3CC3)ncc2Br)C1 ZINC000663526182 652502730 /nfs/dbraw/zinc/50/27/30/652502730.db2.gz NIMXGVDEEZKJED-LBPRGKRZSA-N 1 1 382.306 2.116 20 0 GEADMO Cc1cccc(I)c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583943188 652503387 /nfs/dbraw/zinc/50/33/87/652503387.db2.gz BELSRSKLSFTNLF-UHFFFAOYSA-N 1 1 396.232 2.285 20 0 GEADMO Cc1nc(C)c(Br)c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000663575269 652504268 /nfs/dbraw/zinc/50/42/68/652504268.db2.gz LFGABWLRDFMQKL-OAHLLOKOSA-N 1 1 382.350 2.462 20 0 GEADMO CN1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630557464 652511948 /nfs/dbraw/zinc/51/19/48/652511948.db2.gz FWRFLCRLEIVPKM-RCCFBDPRSA-N 1 1 392.341 2.089 20 0 GEADMO CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CC[N@@H+](C)C1 ZINC000663829629 652512613 /nfs/dbraw/zinc/51/26/13/652512613.db2.gz SFJHJKWSDIYESS-ZDUSSCGKSA-N 1 1 398.301 2.456 20 0 GEADMO O=C(NCc1sccc1Br)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663865634 652514116 /nfs/dbraw/zinc/51/41/16/652514116.db2.gz HHMWDZIJJZZJJQ-LBPRGKRZSA-N 1 1 388.331 2.251 20 0 GEADMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C)c1cc(Br)cnn1 ZINC000663899753 652515535 /nfs/dbraw/zinc/51/55/35/652515535.db2.gz NZUVAVCIHJOTLC-BLLLJJGKSA-N 1 1 379.306 2.492 20 0 GEADMO O=C(NCc1ccc(Br)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664024024 652518388 /nfs/dbraw/zinc/51/83/88/652518388.db2.gz FITCAPGHVDHBAP-INIZCTEOSA-N 1 1 382.302 2.190 20 0 GEADMO O[C@H](CNCc1ccncc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000631041451 652518610 /nfs/dbraw/zinc/51/86/10/652518610.db2.gz ZMZHTKOGZKUKKR-QGZVFWFLSA-N 1 1 376.298 2.353 20 0 GEADMO C[C@@H](CNC(=O)c1ccc2cncc(Br)c2n1)C[NH+]1CCOCC1 ZINC000631420642 652523850 /nfs/dbraw/zinc/52/38/50/652523850.db2.gz TXZSOTAZAVENPU-LBPRGKRZSA-N 1 1 393.285 2.090 20 0 GEADMO C[NH+]1CCC(N2CCC(NC(=O)c3scnc3Br)CC2)CC1 ZINC000757938369 652526199 /nfs/dbraw/zinc/52/61/99/652526199.db2.gz FZBNQIBGDTVWAS-UHFFFAOYSA-N 1 1 387.347 2.194 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000664588476 652530902 /nfs/dbraw/zinc/53/09/02/652530902.db2.gz YRKKLVIMQLYFHJ-SECBINFHSA-N 1 1 379.766 2.388 20 0 GEADMO Brc1ccc2c(c1)OCCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC000664620874 652532945 /nfs/dbraw/zinc/53/29/45/652532945.db2.gz HFRYHAHKLGZKHW-UHFFFAOYSA-N 1 1 391.269 2.475 20 0 GEADMO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000631721312 652533353 /nfs/dbraw/zinc/53/33/53/652533353.db2.gz KVJKULSUBDUUQP-UHFFFAOYSA-N 1 1 382.452 2.372 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)cn1 ZINC000664679106 652535016 /nfs/dbraw/zinc/53/50/16/652535016.db2.gz XHETXWRWJBGOBP-CYBMUJFWSA-N 1 1 395.301 2.021 20 0 GEADMO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000631814834 652536289 /nfs/dbraw/zinc/53/62/89/652536289.db2.gz RVDBRVLAPKPTGA-HZPDHXFCSA-N 1 1 380.501 2.328 20 0 GEADMO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000631814834 652536290 /nfs/dbraw/zinc/53/62/90/652536290.db2.gz RVDBRVLAPKPTGA-HZPDHXFCSA-N 1 1 380.501 2.328 20 0 GEADMO COC(=O)c1ccc(C[NH2+]CC(C)(C)N2CCN(C)CC2)c(Br)c1 ZINC000585766949 652537485 /nfs/dbraw/zinc/53/74/85/652537485.db2.gz OZNHYTJCWAACBY-UHFFFAOYSA-N 1 1 398.345 2.351 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)Cc1ncsc1Br)C1CCCC1 ZINC000631905601 652539805 /nfs/dbraw/zinc/53/98/05/652539805.db2.gz QYCZMKXFEFBJJP-UHFFFAOYSA-N 1 1 382.349 2.199 20 0 GEADMO CC(C)[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)CC[N@@H+]1C ZINC000632273212 652554470 /nfs/dbraw/zinc/55/44/70/652554470.db2.gz JKAJVUPOHWADJK-NSHDSACASA-N 1 1 382.349 2.007 20 0 GEADMO CC(C)[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)CC[N@H+]1C ZINC000632273212 652554473 /nfs/dbraw/zinc/55/44/73/652554473.db2.gz JKAJVUPOHWADJK-NSHDSACASA-N 1 1 382.349 2.007 20 0 GEADMO C[N@H+](Cc1ccccc1)C[C@H](O)CSc1nnnn1Cc1cccs1 ZINC000588690295 652555129 /nfs/dbraw/zinc/55/51/29/652555129.db2.gz WEUDYVHXXULYCD-HNNXBMFYSA-N 1 1 375.523 2.368 20 0 GEADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000588746046 652555827 /nfs/dbraw/zinc/55/58/27/652555827.db2.gz VOQASFDHVIPPBR-GFCCVEGCSA-N 1 1 388.295 2.076 20 0 GEADMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ncsc3Br)C2)C1 ZINC000632371133 652559694 /nfs/dbraw/zinc/55/96/94/652559694.db2.gz VUYCHXMPKRCBKZ-CYBMUJFWSA-N 1 1 394.360 2.153 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000632479012 652566368 /nfs/dbraw/zinc/56/63/68/652566368.db2.gz WKXDGAFZTRFILV-CQSZACIVSA-N 1 1 389.315 2.172 20 0 GEADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)C1 ZINC000632566703 652566997 /nfs/dbraw/zinc/56/69/97/652566997.db2.gz KEUCJSURDBEOHP-NWDGAFQWSA-N 1 1 379.448 2.094 20 0 GEADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[C@@H](C)C1 ZINC000632566569 652567029 /nfs/dbraw/zinc/56/70/29/652567029.db2.gz GEKTTXYPAUGPBF-ZNSVPITBSA-N 1 1 393.325 2.248 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[C@@H](C)C1 ZINC000632566569 652567034 /nfs/dbraw/zinc/56/70/34/652567034.db2.gz GEKTTXYPAUGPBF-ZNSVPITBSA-N 1 1 393.325 2.248 20 0 GEADMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(I)c(F)cc3F)[C@@H]2C1 ZINC000590045310 652573367 /nfs/dbraw/zinc/57/33/67/652573367.db2.gz PAUUQGGTBSXDKD-ISVAXAHUSA-N 1 1 392.187 2.346 20 0 GEADMO Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000632791734 652579931 /nfs/dbraw/zinc/57/99/31/652579931.db2.gz SUCXPZYISFWWBY-UHFFFAOYSA-N 1 1 386.290 2.041 20 0 GEADMO Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000632791734 652579934 /nfs/dbraw/zinc/57/99/34/652579934.db2.gz SUCXPZYISFWWBY-UHFFFAOYSA-N 1 1 386.290 2.041 20 0 GEADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2c(Br)cnn2C)C1 ZINC000632898651 652582692 /nfs/dbraw/zinc/58/26/92/652582692.db2.gz MNSYJVSXQNQYCD-CYBMUJFWSA-N 1 1 386.338 2.494 20 0 GEADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000592097487 652585190 /nfs/dbraw/zinc/58/51/90/652585190.db2.gz JAKKZMAKXVHTJU-UKRRQHHQSA-N 1 1 385.302 2.443 20 0 GEADMO COCC[N@H+]1CCC[C@H](NC(=O)COc2ccc(Br)cc2F)C1 ZINC000592096847 652585234 /nfs/dbraw/zinc/58/52/34/652585234.db2.gz DLHBXOWUXGYJQW-ZDUSSCGKSA-N 1 1 389.265 2.194 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000633076579 652585223 /nfs/dbraw/zinc/58/52/23/652585223.db2.gz XPAQCPMRWPMDDN-CQSZACIVSA-N 1 1 377.432 2.087 20 0 GEADMO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1C[N@H+](C)CCO1 ZINC000633129794 652587126 /nfs/dbraw/zinc/58/71/26/652587126.db2.gz RTRSVZBCPLJFKC-DHIJGFHKSA-N 1 1 394.313 2.106 20 0 GEADMO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129794 652587129 /nfs/dbraw/zinc/58/71/29/652587129.db2.gz RTRSVZBCPLJFKC-DHIJGFHKSA-N 1 1 394.313 2.106 20 0 GEADMO CNc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000592114519 652587507 /nfs/dbraw/zinc/58/75/07/652587507.db2.gz TWJCAYQERULZDK-UHFFFAOYSA-N 1 1 390.285 2.668 20 0 GEADMO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000633256053 652590021 /nfs/dbraw/zinc/59/00/21/652590021.db2.gz IIBQSLYHFZNUAU-LBPRGKRZSA-N 1 1 379.448 2.144 20 0 GEADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000592194210 652590040 /nfs/dbraw/zinc/59/00/40/652590040.db2.gz FEBOHZVQPHDGGZ-HIFRSBDPSA-N 1 1 386.286 2.246 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000633428685 652597062 /nfs/dbraw/zinc/59/70/62/652597062.db2.gz SEXFHHGMASIMPK-CQSZACIVSA-N 1 1 378.274 2.169 20 0 GEADMO Cn1ncc(Br)c1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000633428685 652597066 /nfs/dbraw/zinc/59/70/66/652597066.db2.gz SEXFHHGMASIMPK-CQSZACIVSA-N 1 1 378.274 2.169 20 0 GEADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000760212701 652599318 /nfs/dbraw/zinc/59/93/18/652599318.db2.gz LTUMCTQZZQUKJZ-LBPRGKRZSA-N 1 1 391.269 2.146 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000667375939 652603012 /nfs/dbraw/zinc/60/30/12/652603012.db2.gz DPEJQZGNIMVDJC-JTQLQIEISA-N 1 1 381.274 2.491 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1oc2ccccc2c1Br ZINC000633674934 652606337 /nfs/dbraw/zinc/60/63/37/652606337.db2.gz HQCCWCBLSHGPDE-LBPRGKRZSA-N 1 1 394.269 2.265 20 0 GEADMO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3nc4cccc(Br)c4[nH]3)C[C@@H]12 ZINC000633759129 652611972 /nfs/dbraw/zinc/61/19/72/652611972.db2.gz VNSNGTYXWYTEEL-CKYFFXLPSA-N 1 1 378.274 2.204 20 0 GEADMO O=C1NCCN(Cc2c[nH+]c3n2CCC3)[C@@H]1c1cccc(Br)c1 ZINC000667684532 652617740 /nfs/dbraw/zinc/61/77/40/652617740.db2.gz ZMMFILZFZWBFMK-MRXNPFEDSA-N 1 1 375.270 2.265 20 0 GEADMO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000593429945 652620851 /nfs/dbraw/zinc/62/08/51/652620851.db2.gz JYPZHXKSDXQNTD-CYBMUJFWSA-N 1 1 386.323 2.404 20 0 GEADMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c(Br)cnn3C)C2)c1 ZINC000634274047 652636083 /nfs/dbraw/zinc/63/60/83/652636083.db2.gz HBHRGEPWIUHTIF-CQSZACIVSA-N 1 1 377.286 2.495 20 0 GEADMO COC(=O)[C@]12C[N@@H+](CC(=O)Nc3ccc(Br)cn3)C[C@H]1CCCC2 ZINC000594018721 652636745 /nfs/dbraw/zinc/63/67/45/652636745.db2.gz XISXGTQKFJQJLN-SJKOYZFVSA-N 1 1 396.285 2.448 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)s1 ZINC000594030108 652637092 /nfs/dbraw/zinc/63/70/92/652637092.db2.gz KEXRVUGHGUNZBR-HZSPNIEDSA-N 1 1 387.571 2.486 20 0 GEADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)s1 ZINC000594030108 652637096 /nfs/dbraw/zinc/63/70/96/652637096.db2.gz KEXRVUGHGUNZBR-HZSPNIEDSA-N 1 1 387.571 2.486 20 0 GEADMO COCC[N@H+]1CC[C@H](N2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761253425 652638790 /nfs/dbraw/zinc/63/87/90/652638790.db2.gz ISKMSECJKVSTRD-SJCJKPOMSA-N 1 1 386.279 2.481 20 0 GEADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000668463775 652643574 /nfs/dbraw/zinc/64/35/74/652643574.db2.gz YRCHINQVSLUTPT-WQVCFCJDSA-N 1 1 382.302 2.380 20 0 GEADMO Cc1cc(Br)cn2c(CN3CC[NH+]([C@@H]4CCOC4)CC3)cnc12 ZINC000668535313 652646783 /nfs/dbraw/zinc/64/67/83/652646783.db2.gz KEEXKVYGBNCMBM-OAHLLOKOSA-N 1 1 379.302 2.312 20 0 GEADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1F ZINC000594443543 652649902 /nfs/dbraw/zinc/64/99/02/652649902.db2.gz REGJJDGVAVUEPD-SNVBAGLBSA-N 1 1 390.864 2.028 20 0 GEADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640273 652655205 /nfs/dbraw/zinc/65/52/05/652655205.db2.gz QRIQGZZGRHRMEI-OAHLLOKOSA-N 1 1 398.320 2.415 20 0 GEADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640273 652655212 /nfs/dbraw/zinc/65/52/12/652655212.db2.gz QRIQGZZGRHRMEI-OAHLLOKOSA-N 1 1 398.320 2.415 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2sccc2Br)C1 ZINC000668727209 652663823 /nfs/dbraw/zinc/66/38/23/652663823.db2.gz VAOWUGLMYBKYTO-JTQLQIEISA-N 1 1 388.331 2.116 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668730865 652664440 /nfs/dbraw/zinc/66/44/40/652664440.db2.gz UYZYPCGAPHGFBS-UHFFFAOYSA-N 1 1 381.263 2.199 20 0 GEADMO COc1cc(Br)c(CN2CCN(c3[nH+]ccn3C)CC2)cc1O ZINC000668793308 652667792 /nfs/dbraw/zinc/66/77/92/652667792.db2.gz WRVPREDQWPLHDI-UHFFFAOYSA-N 1 1 381.274 2.219 20 0 GEADMO Cn1cc[nH+]c1N1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000668793253 652667849 /nfs/dbraw/zinc/66/78/49/652667849.db2.gz VCRNCQVKFJDDPT-UHFFFAOYSA-N 1 1 375.274 2.153 20 0 GEADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)C1 ZINC000634862445 652671787 /nfs/dbraw/zinc/67/17/87/652671787.db2.gz CNMHTMXPHXJXPY-HNNXBMFYSA-N 1 1 396.329 2.174 20 0 GEADMO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000669217290 652685180 /nfs/dbraw/zinc/68/51/80/652685180.db2.gz ZXYNUYQMYYQFDQ-CYBMUJFWSA-N 1 1 399.333 2.195 20 0 GEADMO Cc1n[nH]cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762551710 652702710 /nfs/dbraw/zinc/70/27/10/652702710.db2.gz UQFPHAZESXDCOH-MLGOLLRUSA-N 1 1 386.880 2.482 20 0 GEADMO Cc1n[nH]cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762551710 652702719 /nfs/dbraw/zinc/70/27/19/652702719.db2.gz UQFPHAZESXDCOH-MLGOLLRUSA-N 1 1 386.880 2.482 20 0 GEADMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000762553731 652702752 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ZINC000639116554 652919618 /nfs/dbraw/zinc/91/96/18/652919618.db2.gz JURAOYGRWNFTMH-AAEUAGOBSA-N 1 1 391.331 2.222 20 0 GEADMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639116554 652919622 /nfs/dbraw/zinc/91/96/22/652919622.db2.gz JURAOYGRWNFTMH-AAEUAGOBSA-N 1 1 391.331 2.222 20 0 GEADMO C[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)CC2(CCOCC2)O1 ZINC000639120782 652919974 /nfs/dbraw/zinc/91/99/74/652919974.db2.gz ZEVKSDININVMOS-GFCCVEGCSA-N 1 1 381.274 2.262 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)CC2(CCOCC2)O1 ZINC000639120782 652919981 /nfs/dbraw/zinc/91/99/81/652919981.db2.gz ZEVKSDININVMOS-GFCCVEGCSA-N 1 1 381.274 2.262 20 0 GEADMO CC1(C)C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCOC2)O1 ZINC000639126438 652920559 /nfs/dbraw/zinc/92/05/59/652920559.db2.gz ITMCUMNNTXXEBO-MRXNPFEDSA-N 1 1 381.274 2.262 20 0 GEADMO CC1(C)C[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCOC2)O1 ZINC000639126438 652920568 /nfs/dbraw/zinc/92/05/68/652920568.db2.gz ITMCUMNNTXXEBO-MRXNPFEDSA-N 1 1 381.274 2.262 20 0 GEADMO CO[C@@]1(C[N@@H+](CCNC(C)=O)Cc2ccc(Br)s2)CCOC1 ZINC000639139087 652922136 /nfs/dbraw/zinc/92/21/36/652922136.db2.gz FEZPIQZHYJWDCH-OAHLLOKOSA-N 1 1 391.331 2.254 20 0 GEADMO Brc1cnc2c(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)cnn2c1 ZINC000639138846 652922148 /nfs/dbraw/zinc/92/21/48/652922148.db2.gz GONNGJRWMIKRJF-AWEZNQCLSA-N 1 1 394.317 2.036 20 0 GEADMO Brc1cnc2c(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)cnn2c1 ZINC000639138846 652922149 /nfs/dbraw/zinc/92/21/49/652922149.db2.gz GONNGJRWMIKRJF-AWEZNQCLSA-N 1 1 394.317 2.036 20 0 GEADMO O=C(CN1CC[NH+](CCC(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000767413944 652924044 /nfs/dbraw/zinc/92/40/44/652924044.db2.gz BEGFLMKZHXMZIB-UHFFFAOYSA-N 1 1 394.313 2.374 20 0 GEADMO C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000639241635 652927369 /nfs/dbraw/zinc/92/73/69/652927369.db2.gz GWEAXEZHUKEVBX-UHFFFAOYSA-N 1 1 379.448 2.183 20 0 GEADMO Cc1[nH+]ccn1CCCOC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000767475218 652928689 /nfs/dbraw/zinc/92/86/89/652928689.db2.gz HJUBLOUOBAWKRJ-UHFFFAOYSA-N 1 1 385.873 2.147 20 0 GEADMO C[N@@H+](Cc1cnn2cc(Br)cnc12)C(C)(C)CN1CCOCC1 ZINC000639270715 652929397 /nfs/dbraw/zinc/92/93/97/652929397.db2.gz BATBRJAJLBJGJN-UHFFFAOYSA-N 1 1 382.306 2.034 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000600783469 652934116 /nfs/dbraw/zinc/93/41/16/652934116.db2.gz KCFHVLHLZSLRAA-ZDUSSCGKSA-N 1 1 389.315 2.315 20 0 GEADMO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000600783469 652934122 /nfs/dbraw/zinc/93/41/22/652934122.db2.gz KCFHVLHLZSLRAA-ZDUSSCGKSA-N 1 1 389.315 2.315 20 0 GEADMO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000639598780 652943245 /nfs/dbraw/zinc/94/32/45/652943245.db2.gz PGKGXODOEBIWAE-LBPRGKRZSA-N 1 1 383.208 2.483 20 0 GEADMO C[NH+]1CCN(CC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000600948855 652944726 /nfs/dbraw/zinc/94/47/26/652944726.db2.gz BTPCJQUWQOMCSC-GHMZBOCLSA-N 1 1 375.357 2.260 20 0 GEADMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639652493 652946552 /nfs/dbraw/zinc/94/65/52/652946552.db2.gz JLOHVASDFUHQOW-SMDDNHRTSA-N 1 1 382.309 2.100 20 0 GEADMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639652493 652946558 /nfs/dbraw/zinc/94/65/58/652946558.db2.gz JLOHVASDFUHQOW-SMDDNHRTSA-N 1 1 382.309 2.100 20 0 GEADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCc1ccccc1Br ZINC000675940719 652947870 /nfs/dbraw/zinc/94/78/70/652947870.db2.gz LLWXSAMCSXQTOC-UHFFFAOYSA-N 1 1 396.329 2.004 20 0 GEADMO O=c1cc([C@@H]2CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)[nH]c(=O)[nH]1 ZINC000639734768 652950717 /nfs/dbraw/zinc/95/07/17/652950717.db2.gz SOHSKQNCKFLSNZ-SNVBAGLBSA-N 1 1 390.241 2.288 20 0 GEADMO O=c1cc([C@@H]2CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)[nH]c(=O)[nH]1 ZINC000639734768 652950725 /nfs/dbraw/zinc/95/07/25/652950725.db2.gz SOHSKQNCKFLSNZ-SNVBAGLBSA-N 1 1 390.241 2.288 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639738025 652951006 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20 0 GEADMO Nc1nnc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000639825377 653085765 /nfs/dbraw/zinc/08/57/65/653085765.db2.gz OSYWMUXWPWMHCG-ZYHUDNBSSA-N 1 1 387.267 2.578 20 0 GEADMO Nc1nnc([C@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)o1 ZINC000639827398 653086258 /nfs/dbraw/zinc/08/62/58/653086258.db2.gz YOHVWVFJTUVLMN-JTQLQIEISA-N 1 1 381.230 2.523 20 0 GEADMO Nc1nnc([C@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)o1 ZINC000639827398 653086260 /nfs/dbraw/zinc/08/62/60/653086260.db2.gz YOHVWVFJTUVLMN-JTQLQIEISA-N 1 1 381.230 2.523 20 0 GEADMO COC(=O)C1(CS(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000601356029 653088151 /nfs/dbraw/zinc/08/81/51/653088151.db2.gz DWATUHKWWVGTOU-HIFRSBDPSA-N 1 1 386.539 2.004 20 0 GEADMO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000639920777 653088901 /nfs/dbraw/zinc/08/89/01/653088901.db2.gz XSIGSBMNABXICC-WFASDCNBSA-N 1 1 396.336 2.490 20 0 GEADMO C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000639920777 653088903 /nfs/dbraw/zinc/08/89/03/653088903.db2.gz XSIGSBMNABXICC-WFASDCNBSA-N 1 1 396.336 2.490 20 0 GEADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)C1 ZINC000676229865 653092203 /nfs/dbraw/zinc/09/22/03/653092203.db2.gz LJUODLPONOWLEC-JSGCOSHPSA-N 1 1 390.958 2.259 20 0 GEADMO CO[C@@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)[C@@](C)(CO)C1 ZINC000640005465 653093306 /nfs/dbraw/zinc/09/33/06/653093306.db2.gz WSOJIRCXIFLVHX-SUMWQHHRSA-N 1 1 375.296 2.124 20 0 GEADMO C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000767910321 653095371 /nfs/dbraw/zinc/09/53/71/653095371.db2.gz CHKXAGMAOKYIOA-KWQFWETISA-N 1 1 377.670 2.338 20 0 GEADMO C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000767910321 653095375 /nfs/dbraw/zinc/09/53/75/653095375.db2.gz CHKXAGMAOKYIOA-KWQFWETISA-N 1 1 377.670 2.338 20 0 GEADMO Cc1cc(Br)ncc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000771176027 653098651 /nfs/dbraw/zinc/09/86/51/653098651.db2.gz TVKKTXCRWSKRND-CYBMUJFWSA-N 1 1 384.322 2.300 20 0 GEADMO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000676729625 653105263 /nfs/dbraw/zinc/10/52/63/653105263.db2.gz QFECCNILEVFXKT-CABCVRRESA-N 1 1 389.240 2.399 20 0 GEADMO C[C@@H]1[C@H](C)N(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000771394037 653108563 /nfs/dbraw/zinc/10/85/63/653108563.db2.gz GNNHZOOPLPDEKP-NEPJUHHUSA-N 1 1 379.917 2.438 20 0 GEADMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000771408274 653110997 /nfs/dbraw/zinc/11/09/97/653110997.db2.gz SREHRDDYRWHNCE-QWHCGFSZSA-N 1 1 385.917 2.045 20 0 GEADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000771408274 653111004 /nfs/dbraw/zinc/11/10/04/653111004.db2.gz SREHRDDYRWHNCE-QWHCGFSZSA-N 1 1 385.917 2.045 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000676889884 653112989 /nfs/dbraw/zinc/11/29/89/653112989.db2.gz DZEGVWDILBRGLK-OAHLLOKOSA-N 1 1 380.901 2.212 20 0 GEADMO C[C@@H](CNC(=O)Nc1nn(C)cc1Br)[N@H+]1CCc2ccccc2C1 ZINC000640308985 653113666 /nfs/dbraw/zinc/11/36/66/653113666.db2.gz UHXKCODVXIOAGO-LBPRGKRZSA-N 1 1 392.301 2.751 20 0 GEADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1Br ZINC000640309630 653114550 /nfs/dbraw/zinc/11/45/50/653114550.db2.gz KHCJKGHOLRTIPY-CYBMUJFWSA-N 1 1 392.301 2.921 20 0 GEADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1nn(C)cc1Br ZINC000640309630 653114554 /nfs/dbraw/zinc/11/45/54/653114554.db2.gz KHCJKGHOLRTIPY-CYBMUJFWSA-N 1 1 392.301 2.921 20 0 GEADMO Cn1cc(Br)c(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000640314553 653118240 /nfs/dbraw/zinc/11/82/40/653118240.db2.gz HPGSNGAZSRKICE-AWEZNQCLSA-N 1 1 392.301 2.826 20 0 GEADMO C[C@H]1[C@H](NC(=O)Nc2nn(C)cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000640315633 653118721 /nfs/dbraw/zinc/11/87/21/653118721.db2.gz RJDTXANPNTYKGO-SWLSCSKDSA-N 1 1 392.301 2.967 20 0 GEADMO O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000640384214 653123889 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ZINC000895473685 653836944 /nfs/dbraw/zinc/83/69/44/653836944.db2.gz JVMILAUATCWJBZ-UHFFFAOYSA-N 1 1 399.158 2.030 20 0 GEADMO C[C@@H](NCC[N@@H+](C)CCOCCO)c1cc(F)c(Br)cc1F ZINC000883351821 653836945 /nfs/dbraw/zinc/83/69/45/653836945.db2.gz MRFQYTIZFARPSL-LLVKDONJSA-N 1 1 381.261 2.319 20 0 GEADMO O=C(Cn1ccc(Br)cc1=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000866848896 653837668 /nfs/dbraw/zinc/83/76/68/653837668.db2.gz REIIXTMAZOIDEJ-XJKSGUPXSA-N 1 1 394.313 2.086 20 0 GEADMO Cn1cc(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c(Br)n1 ZINC000895507832 653838724 /nfs/dbraw/zinc/83/87/24/653838724.db2.gz MJXFYIMQZMWFIA-AWEZNQCLSA-N 1 1 391.269 2.400 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000883446536 653840159 /nfs/dbraw/zinc/84/01/59/653840159.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 1 393.289 2.128 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(I)s3)C[C@@H]2C1 ZINC000895577231 653841777 /nfs/dbraw/zinc/84/17/77/653841777.db2.gz WOABKCIKANKEKJ-PHIMTYICSA-N 1 1 376.263 2.263 20 0 GEADMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(I)s3)C[C@@H]2C1 ZINC000895577231 653841779 /nfs/dbraw/zinc/84/17/79/653841779.db2.gz WOABKCIKANKEKJ-PHIMTYICSA-N 1 1 376.263 2.263 20 0 GEADMO COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000883477422 653842027 /nfs/dbraw/zinc/84/20/27/653842027.db2.gz CDIYXVPVMDVEEK-OAHLLOKOSA-N 1 1 381.885 2.387 20 0 GEADMO COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000883478081 653842077 /nfs/dbraw/zinc/84/20/77/653842077.db2.gz VNHJNXCGALXGFH-INIZCTEOSA-N 1 1 381.885 2.387 20 0 GEADMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866882757 653842462 /nfs/dbraw/zinc/84/24/62/653842462.db2.gz XYFKMZHNWXEQCM-JBEBIEQOSA-N 1 1 391.534 2.333 20 0 GEADMO C[C@H](NC(=O)NCCc1sccc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000883538428 653844835 /nfs/dbraw/zinc/84/48/35/653844835.db2.gz UTDACAKJOROUHQ-CMPLNLGQSA-N 1 1 376.320 2.071 20 0 GEADMO C[C@H](NC(=O)NCCc1sccc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000883538428 653844841 /nfs/dbraw/zinc/84/48/41/653844841.db2.gz UTDACAKJOROUHQ-CMPLNLGQSA-N 1 1 376.320 2.071 20 0 GEADMO CC[N@@H+](CCCNC(=O)N(CCS(C)(=O)=O)C(C)C)C1CCCCC1 ZINC000845361147 653845291 /nfs/dbraw/zinc/84/52/91/653845291.db2.gz ITIKLCANAUVMCP-UHFFFAOYSA-N 1 1 375.579 2.496 20 0 GEADMO COC(=O)[C@]1(O)CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000895702154 653846601 /nfs/dbraw/zinc/84/66/01/653846601.db2.gz IPEHSDIBCOURTB-AWEZNQCLSA-N 1 1 386.271 2.011 20 0 GEADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000866902526 653846608 /nfs/dbraw/zinc/84/66/08/653846608.db2.gz DTCWRTYNDJMXRU-FYSMJZIKSA-N 1 1 385.555 2.052 20 0 GEADMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000895763431 653849453 /nfs/dbraw/zinc/84/94/53/653849453.db2.gz CMHJJUJPECUCGG-CYBMUJFWSA-N 1 1 375.213 2.112 20 0 GEADMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000883661989 653849797 /nfs/dbraw/zinc/84/97/97/653849797.db2.gz YAQYCNGAZULVDL-ZDUSSCGKSA-N 1 1 394.273 2.393 20 0 GEADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]nc2I)c1 ZINC000895845328 653852384 /nfs/dbraw/zinc/85/23/84/653852384.db2.gz XAEIGDBIKQAPIK-UHFFFAOYSA-N 1 1 398.248 2.396 20 0 GEADMO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866954232 653854205 /nfs/dbraw/zinc/85/42/05/653854205.db2.gz DKBITJKQWXSWNX-XMMPIXPASA-N 1 1 391.534 2.333 20 0 GEADMO O=C(NCc1ncc(Br)cn1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000895964288 653858850 /nfs/dbraw/zinc/85/88/50/653858850.db2.gz LMSDPXSNGBUOAN-AWEZNQCLSA-N 1 1 382.306 2.445 20 0 GEADMO Cc1cc(OS(=O)(=O)CCC[NH+]2CCN(C)CC2)ccc1Br ZINC000866975772 653858954 /nfs/dbraw/zinc/85/89/54/653858954.db2.gz BSUNJSGEWWKZAO-UHFFFAOYSA-N 1 1 391.331 2.104 20 0 GEADMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(Br)n1)C1CCCCC1 ZINC000792981926 653859079 /nfs/dbraw/zinc/85/90/79/653859079.db2.gz BCHFMFMZBQBKJU-UHFFFAOYSA-N 1 1 383.290 2.163 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000845735507 653861322 /nfs/dbraw/zinc/86/13/22/653861322.db2.gz 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CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000867015508 653866160 /nfs/dbraw/zinc/86/61/60/653866160.db2.gz YNVKXIVZCQPXSH-GVDBMIGSSA-N 1 1 393.325 2.250 20 0 GEADMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ncc(Br)cn1 ZINC000896240674 653870300 /nfs/dbraw/zinc/87/03/00/653870300.db2.gz QWKQVJZWKLJIAC-CQSZACIVSA-N 1 1 376.258 2.225 20 0 GEADMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ncc(Br)cn1 ZINC000896240674 653870307 /nfs/dbraw/zinc/87/03/07/653870307.db2.gz QWKQVJZWKLJIAC-CQSZACIVSA-N 1 1 376.258 2.225 20 0 GEADMO C[NH+]1CCC2(CCCN2S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867041614 653870428 /nfs/dbraw/zinc/87/04/28/653870428.db2.gz PROKDPTYSAGNOZ-DEOSSOPVSA-N 1 1 389.518 2.087 20 0 GEADMO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)ccc1Cl ZINC000845957103 653872506 /nfs/dbraw/zinc/87/25/06/653872506.db2.gz RJRINVNOWDGRFI-UHFFFAOYSA-N 1 1 376.906 2.383 20 0 GEADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1I ZINC000896340455 653875235 /nfs/dbraw/zinc/87/52/35/653875235.db2.gz 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COC(=O)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(Br)c1 ZINC000793589555 653880715 /nfs/dbraw/zinc/88/07/15/653880715.db2.gz IMCNNLBMSHNAHT-UHFFFAOYSA-N 1 1 383.242 2.310 20 0 GEADMO COC(=O)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(Br)c1 ZINC000793587503 653880741 /nfs/dbraw/zinc/88/07/41/653880741.db2.gz PUGBWLILCZWHPI-UHFFFAOYSA-N 1 1 383.242 2.310 20 0 GEADMO O=c1[nH]c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc2ccc(Br)cc12 ZINC000884559717 653881152 /nfs/dbraw/zinc/88/11/52/653881152.db2.gz BYLRWZHEDRUZOW-CYBMUJFWSA-N 1 1 393.285 2.133 20 0 GEADMO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000896500128 653881844 /nfs/dbraw/zinc/88/18/44/653881844.db2.gz AGSBRRHGFJFRHX-NSHDSACASA-N 1 1 379.448 2.183 20 0 GEADMO C[C@H](NC(=O)C(C)(C)c1ccccc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000896541080 653883707 /nfs/dbraw/zinc/88/37/07/653883707.db2.gz ICNKPGWUMCSBGA-XJKSGUPXSA-N 1 1 382.346 2.477 20 0 GEADMO C[C@@H](NC(=O)CCc1cc(Br)ccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896550936 653884646 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C[C@@H](NC(=O)Cc1ccc(Cl)cc1Br)[C@H]1CN(C)CC[N@H+]1C ZINC000896565635 653885905 /nfs/dbraw/zinc/88/59/05/653885905.db2.gz XBSCZPAYTUNZGL-IAQYHMDHSA-N 1 1 388.737 2.396 20 0 GEADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CS(=O)(=O)C3)C2)s1 ZINC000846100793 653887376 /nfs/dbraw/zinc/88/73/76/653887376.db2.gz YOSUAQXYXMJHPY-JKSUJKDBSA-N 1 1 382.551 2.285 20 0 GEADMO CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000884752018 653887557 /nfs/dbraw/zinc/88/75/57/653887557.db2.gz NPNMVTMBOSDJDX-LBPRGKRZSA-N 1 1 382.448 2.158 20 0 GEADMO C[N@@H+]1CCN(C(=O)c2cc(N)nc(Br)c2)[C@H](Cc2ccccc2)C1 ZINC000824225006 653888826 /nfs/dbraw/zinc/88/88/26/653888826.db2.gz KSLXHVVDSMTEGG-OAHLLOKOSA-N 1 1 389.297 2.425 20 0 GEADMO C[N@H+]1CCN(C(=O)c2cc(N)nc(Br)c2)[C@H](Cc2ccccc2)C1 ZINC000824225006 653888829 /nfs/dbraw/zinc/88/88/29/653888829.db2.gz KSLXHVVDSMTEGG-OAHLLOKOSA-N 1 1 389.297 2.425 20 0 GEADMO CC(C)n1ncc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1I ZINC000867186066 653890127 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CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1=O ZINC000846587532 653903684 /nfs/dbraw/zinc/90/36/84/653903684.db2.gz LIPZCNGCZBYIKP-SOUVJXGZSA-N 1 1 390.355 2.409 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000897015613 653904028 /nfs/dbraw/zinc/90/40/28/653904028.db2.gz JPJWYCJGSVSQQA-TZMCWYRMSA-N 1 1 385.302 2.178 20 0 GEADMO CSc1cc(Br)ccc1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897063368 653905638 /nfs/dbraw/zinc/90/56/38/653905638.db2.gz UKJALFNXMGZJSN-JTQLQIEISA-N 1 1 379.345 2.281 20 0 GEADMO CSc1cc(Br)ccc1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897063368 653905641 /nfs/dbraw/zinc/90/56/41/653905641.db2.gz UKJALFNXMGZJSN-JTQLQIEISA-N 1 1 379.345 2.281 20 0 GEADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)Br)nc1 ZINC000824740500 653906940 /nfs/dbraw/zinc/90/69/40/653906940.db2.gz FXJAEINRTUGAHK-VXGBXAGGSA-N 1 1 390.228 2.119 20 0 GEADMO CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000846720297 653907369 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C[C@H]1CC[N@@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000897460524 653923050 /nfs/dbraw/zinc/92/30/50/653923050.db2.gz HTSCWZXPPUBMBS-XJKSGUPXSA-N 1 1 384.318 2.466 20 0 GEADMO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897481593 653923743 /nfs/dbraw/zinc/92/37/43/653923743.db2.gz UPMVGKDOMLXVQZ-UONOGXRCSA-N 1 1 384.307 2.395 20 0 GEADMO O=C(NCCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897481591 653923879 /nfs/dbraw/zinc/92/38/79/653923879.db2.gz UPMVGKDOMLXVQZ-KBPBESRZSA-N 1 1 384.307 2.395 20 0 GEADMO O=C(NOCc1ccc(F)cc1Br)C1C[NH+](C2CCOCC2)C1 ZINC000897498943 653924475 /nfs/dbraw/zinc/92/44/75/653924475.db2.gz BRCAFKHJDRMQHQ-UHFFFAOYSA-N 1 1 387.249 2.247 20 0 GEADMO COC(=O)C1CC2(C1)C[C@H](Nc1cc[nH+]c3ccsc31)CCS2(=O)=O ZINC000897544500 653926430 /nfs/dbraw/zinc/92/64/30/653926430.db2.gz TZZYIKNBUAXBII-VMBJYNEYSA-N 1 1 380.491 2.029 20 0 GEADMO S=C(NCCC[NH+]1CCOCC1)NCCn1ccc2cc(Cl)ccc21 ZINC000795095305 653929977 /nfs/dbraw/zinc/92/99/77/653929977.db2.gz CACKMRZIZDNEHY-UHFFFAOYSA-N 1 1 380.945 2.481 20 0 GEADMO CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897612275 653930586 /nfs/dbraw/zinc/93/05/86/653930586.db2.gz SYUMZVRHWCXASF-YPMHNXCESA-N 1 1 376.906 2.104 20 0 GEADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000885455133 653933525 /nfs/dbraw/zinc/93/35/25/653933525.db2.gz FVBNCSDFJXLQFS-KGLIPLIRSA-N 1 1 386.901 2.374 20 0 GEADMO CCn1c(Br)c(Br)nc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897840565 653939931 /nfs/dbraw/zinc/93/99/31/653939931.db2.gz DMUMKQWICVMBLX-UWZOBUBJSA-N 1 1 379.096 2.431 20 0 GEADMO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000897881581 653941474 /nfs/dbraw/zinc/94/14/74/653941474.db2.gz XXARPILWMKDHCO-GFCCVEGCSA-N 1 1 379.448 2.062 20 0 GEADMO Cn1cc(C(=O)OCc2ccc(C[NH+]3CCOCC3)cc2)c(Br)n1 ZINC000885683218 653944413 /nfs/dbraw/zinc/94/44/13/653944413.db2.gz JEXQVLGHPRSESA-UHFFFAOYSA-N 1 1 394.269 2.372 20 0 GEADMO 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/nfs/dbraw/zinc/23/42/38/654234238.db2.gz QZVSHIDSPWNFFA-TVQRCGJNSA-N 1 1 377.242 2.462 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903325174 654234285 /nfs/dbraw/zinc/23/42/85/654234285.db2.gz JZKRJZFLILPTIE-QLFBSQMISA-N 1 1 379.302 2.314 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903325174 654234289 /nfs/dbraw/zinc/23/42/89/654234289.db2.gz JZKRJZFLILPTIE-QLFBSQMISA-N 1 1 379.302 2.314 20 0 GEADMO O=C1Nc2ncc(Br)cc2C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903326807 654234846 /nfs/dbraw/zinc/23/48/46/654234846.db2.gz TVSXUVJGFWSTPT-WDVRLDOZSA-N 1 1 391.313 2.455 20 0 GEADMO Cn1nc(C2CC2)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000903497770 654241887 /nfs/dbraw/zinc/24/18/87/654241887.db2.gz PGZIMKZZJYKSOO-INIZCTEOSA-N 1 1 380.901 2.286 20 0 GEADMO CS(=O)(=O)CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472807 654243790 /nfs/dbraw/zinc/24/37/90/654243790.db2.gz GMCFTUFBLOWANN-KBPBESRZSA-N 1 1 384.464 2.077 20 0 GEADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852592845 654248717 /nfs/dbraw/zinc/24/87/17/654248717.db2.gz WTOHTFXQFFZOAX-INIZCTEOSA-N 1 1 375.531 2.024 20 0 GEADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852592846 654248831 /nfs/dbraw/zinc/24/88/31/654248831.db2.gz WTOHTFXQFFZOAX-MRXNPFEDSA-N 1 1 375.531 2.024 20 0 GEADMO Cc1cc(I)cn(Cc2[nH+]ccn2CC(F)F)c1=O ZINC000871664104 654250162 /nfs/dbraw/zinc/25/01/62/654250162.db2.gz RJCIUPVGQJDICH-UHFFFAOYSA-N 1 1 379.148 2.271 20 0 GEADMO COc1cc(Br)cc(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000921364809 654254959 /nfs/dbraw/zinc/25/49/59/654254959.db2.gz UTGOQTYPPXEQFO-UHFFFAOYSA-N 1 1 396.289 2.257 20 0 GEADMO Cc1ccsc1-c1nsc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000891009810 654258018 /nfs/dbraw/zinc/25/80/18/654258018.db2.gz UEMHPCKFWLVRAW-UHFFFAOYSA-N 1 1 379.511 2.066 20 0 GEADMO Cc1ccsc1-c1nsc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)n1 ZINC000891009810 654258026 /nfs/dbraw/zinc/25/80/26/654258026.db2.gz UEMHPCKFWLVRAW-UHFFFAOYSA-N 1 1 379.511 2.066 20 0 GEADMO CCOC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000852778729 654260401 /nfs/dbraw/zinc/26/04/01/654260401.db2.gz UNMIKUCTLVMULB-CQSZACIVSA-N 1 1 384.274 2.186 20 0 GEADMO [NH3+][C@H](C(=O)N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000852823541 654261770 /nfs/dbraw/zinc/26/17/70/654261770.db2.gz OXSQKIQCPSYTHQ-JQFCIGGWSA-N 1 1 393.281 2.050 20 0 GEADMO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)ccc(F)c1F ZINC000871810433 654262380 /nfs/dbraw/zinc/26/23/80/654262380.db2.gz LXUWKNCSHNHBFP-JTQLQIEISA-N 1 1 380.844 2.055 20 0 GEADMO CC[N@@H+]1C[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)[C@@H](C)C1 ZINC000921406550 654263853 /nfs/dbraw/zinc/26/38/53/654263853.db2.gz KPDFWQPTKLKABV-UBHSHLNASA-N 1 1 382.306 2.426 20 0 GEADMO [NH3+][C@@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1Br ZINC000852854981 654263889 /nfs/dbraw/zinc/26/38/89/654263889.db2.gz DMDKGWBOUUEARE-BZPMIXESSA-N 1 1 375.213 2.379 20 0 GEADMO O=C(NO[C@@H]1CCCCO1)c1sc2c(c1I)C[NH2+]C2 ZINC000852856499 654263925 /nfs/dbraw/zinc/26/39/25/654263925.db2.gz RBSLSWOTQMZZLB-SECBINFHSA-N 1 1 394.234 2.144 20 0 GEADMO COC(=O)c1cc2[nH]c(NC(=O)C34CC[NH+](CC3)C4)nc2c(Br)c1 ZINC000891094031 654264407 /nfs/dbraw/zinc/26/44/07/654264407.db2.gz RUGWOJKDTOFSAU-UHFFFAOYSA-N 1 1 393.241 2.146 20 0 GEADMO Cc1nn(C)c(Br)c1C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000852878184 654264793 /nfs/dbraw/zinc/26/47/93/654264793.db2.gz MTUGFBVAWCWFGE-ZDUSSCGKSA-N 1 1 381.249 2.417 20 0 GEADMO CSCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000803219151 654267958 /nfs/dbraw/zinc/26/79/58/654267958.db2.gz BVIQXTSSEHJOOB-HUUCEWRRSA-N 1 1 383.583 2.334 20 0 GEADMO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCn1cc[nH+]c1C(C)C ZINC000921528382 654278681 /nfs/dbraw/zinc/27/86/81/654278681.db2.gz UESQDHUVAONOCN-UHFFFAOYSA-N 1 1 385.873 2.425 20 0 GEADMO Cn1ccc(-c2nc(C[NH2+]Cc3ccc(NS(C)(=O)=O)cc3)cs2)n1 ZINC000921543751 654279479 /nfs/dbraw/zinc/27/94/79/654279479.db2.gz XFJIMKJNQJQTLQ-UHFFFAOYSA-N 1 1 377.495 2.205 20 0 GEADMO C[NH+](C)[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1cccc(F)c1 ZINC000853234652 654288268 /nfs/dbraw/zinc/28/82/68/654288268.db2.gz ANPRCIIRCWUHKK-YMXBGEKHSA-N 1 1 383.411 2.039 20 0 GEADMO Brc1cccc2c1C[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)CO2 ZINC000903937046 654292473 /nfs/dbraw/zinc/29/24/73/654292473.db2.gz AJSPUHCPVFALBP-OLZOCXBDSA-N 1 1 392.301 2.058 20 0 GEADMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)s1 ZINC000921610076 654292497 /nfs/dbraw/zinc/29/24/97/654292497.db2.gz WAMHJAGJKXUNJZ-UHFFFAOYSA-N 1 1 382.555 2.291 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC000832764987 654294059 /nfs/dbraw/zinc/29/40/59/654294059.db2.gz SWNDHMWUQRUHIJ-CQSZACIVSA-N 1 1 387.933 2.145 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853398769 654294438 /nfs/dbraw/zinc/29/44/38/654294438.db2.gz OYSCXYOUAYQGRR-CVEARBPZSA-N 1 1 394.313 2.289 20 0 GEADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000891527800 654299063 /nfs/dbraw/zinc/29/90/63/654299063.db2.gz ZEBHGMUEAOUDMY-WFASDCNBSA-N 1 1 395.301 2.042 20 0 GEADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)C1 ZINC000891529038 654299264 /nfs/dbraw/zinc/29/92/64/654299264.db2.gz SIOSWHFBEIOQRX-HPFXQQBRSA-N 1 1 386.378 2.282 20 0 GEADMO O=C([C@@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1)N1CCOCC1 ZINC000891556834 654300662 /nfs/dbraw/zinc/30/06/62/654300662.db2.gz ZBNSGSHUQSVKHQ-GFCCVEGCSA-N 1 1 377.432 2.319 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127823 654301186 /nfs/dbraw/zinc/30/11/86/654301186.db2.gz BAZBPHBTUBLTGU-UONOGXRCSA-N 1 1 382.917 2.396 20 0 GEADMO CCCNC(=O)CSc1nn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(=S)s1 ZINC000853590232 654306754 /nfs/dbraw/zinc/30/67/54/654306754.db2.gz VPYSPRNVRADYMO-NEPJUHHUSA-N 1 1 388.584 2.218 20 0 GEADMO CCCNC(=O)CSc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(=S)s1 ZINC000853590232 654306755 /nfs/dbraw/zinc/30/67/55/654306755.db2.gz VPYSPRNVRADYMO-NEPJUHHUSA-N 1 1 388.584 2.218 20 0 GEADMO C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[N@@H+]2CCC3(COC3)C2)C1=O ZINC000853595056 654307236 /nfs/dbraw/zinc/30/72/36/654307236.db2.gz JZSZSFWHRVDXFV-MRXNPFEDSA-N 1 1 384.263 2.440 20 0 GEADMO C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(C[N@H+]2CCC3(COC3)C2)C1=O ZINC000853595056 654307245 /nfs/dbraw/zinc/30/72/45/654307245.db2.gz JZSZSFWHRVDXFV-MRXNPFEDSA-N 1 1 384.263 2.440 20 0 GEADMO COC(=O)c1cc(Br)ccc1NC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC000904389988 654308733 /nfs/dbraw/zinc/30/87/33/654308733.db2.gz ZYRVULSIWJDWCS-UHFFFAOYSA-N 1 1 394.229 2.179 20 0 GEADMO COc1cc(CN2CCNCC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000904397630 654309226 /nfs/dbraw/zinc/30/92/26/654309226.db2.gz HNPADVQAZRKSLU-UHFFFAOYSA-N 1 1 394.260 2.054 20 0 GEADMO C[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@H](C)[N@@H+]1CCO ZINC000853665650 654314224 /nfs/dbraw/zinc/31/42/24/654314224.db2.gz AMIISLXBOSHZAG-DTORHVGOSA-N 1 1 388.697 2.265 20 0 GEADMO CN(C)S(=O)(=O)N(CCc1c[nH+]cn1C)c1ccccc1Br ZINC000853674143 654314728 /nfs/dbraw/zinc/31/47/28/654314728.db2.gz SLDLDBTURRDBSV-UHFFFAOYSA-N 1 1 387.303 2.038 20 0 GEADMO CCOC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)on1 ZINC000872227452 654317856 /nfs/dbraw/zinc/31/78/56/654317856.db2.gz FHOKVSLOEAGMDP-GFCCVEGCSA-N 1 1 399.241 2.143 20 0 GEADMO C[C@@](CO)(NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984084 654322031 /nfs/dbraw/zinc/32/20/31/654322031.db2.gz PTHKJGCRNXFNLS-UGSOOPFHSA-N 1 1 396.329 2.440 20 0 GEADMO Cc1nc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(Br)n1C ZINC000804950023 654327928 /nfs/dbraw/zinc/32/79/28/654327928.db2.gz LAXDLHDRCAQOEQ-WDEREUQCSA-N 1 1 393.351 2.032 20 0 GEADMO O=C(C[N@@H+]1CCCN(c2nc(Cl)nc3sccc32)CC1)N1CCCC1 ZINC000872404062 654329769 /nfs/dbraw/zinc/32/97/69/654329769.db2.gz JDRFKURZIWQLBR-UHFFFAOYSA-N 1 1 379.917 2.479 20 0 GEADMO COc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892159318 654331946 /nfs/dbraw/zinc/33/19/46/654331946.db2.gz ILLCMWJHDDNJND-RDTXWAMCSA-N 1 1 396.329 2.425 20 0 GEADMO O=C(c1sccc1SC(F)F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000834536656 654332522 /nfs/dbraw/zinc/33/25/22/654332522.db2.gz LPKGECWLEDTWDB-JTQLQIEISA-N 1 1 375.466 2.099 20 0 GEADMO C[N@H+]1C[C@H]2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000892215574 654334326 /nfs/dbraw/zinc/33/43/26/654334326.db2.gz YGNKALQLIHWGJE-DOMZBBRYSA-N 1 1 395.301 2.123 20 0 GEADMO C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1nc(Br)cs1 ZINC000834571652 654336203 /nfs/dbraw/zinc/33/62/03/654336203.db2.gz VNAWBIDQQFABSJ-MNOVXSKESA-N 1 1 375.336 2.144 20 0 GEADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872440022 654336432 /nfs/dbraw/zinc/33/64/32/654336432.db2.gz WZJMBSQGALIDCE-WBVLODKDSA-N 1 1 379.592 2.465 20 0 GEADMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)C1 ZINC000872448060 654338708 /nfs/dbraw/zinc/33/87/08/654338708.db2.gz IQPIBGFSMLHOKU-LBPRGKRZSA-N 1 1 385.917 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/nfs/dbraw/zinc/34/36/18/654343618.db2.gz JDFGUDGDGAIDAM-CYBMUJFWSA-N 1 1 382.258 2.255 20 0 GEADMO CCC[N@H+](C)[C@@H](CNC(=O)NCCS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000805077413 654346270 /nfs/dbraw/zinc/34/62/70/654346270.db2.gz WDKMUSGWQYSCMZ-INIZCTEOSA-N 1 1 389.949 2.457 20 0 GEADMO CCC[N@@H+](C)[C@@H](CNC(=O)NCCS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000805077413 654346273 /nfs/dbraw/zinc/34/62/73/654346273.db2.gz WDKMUSGWQYSCMZ-INIZCTEOSA-N 1 1 389.949 2.457 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892555809 654351240 /nfs/dbraw/zinc/35/12/40/654351240.db2.gz WTFKJWFMWMQRDP-CQSZACIVSA-N 1 1 397.317 2.432 20 0 GEADMO CCn1c(C[NH2+][C@H](C)C[S@](C)=O)nc(Br)c1Br ZINC000921990959 654352359 /nfs/dbraw/zinc/35/23/59/654352359.db2.gz SENRBXHIKATGST-GJEGPGMTSA-N 1 1 387.141 2.285 20 0 GEADMO Cc1nc(Br)sc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000854346951 654352553 /nfs/dbraw/zinc/35/25/53/654352553.db2.gz VRGPWIIMNCNTLE-LBPRGKRZSA-N 1 1 388.331 2.398 20 0 GEADMO O=C(CCSc1nc2ccccc2s1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854355316 654355366 /nfs/dbraw/zinc/35/53/66/654355366.db2.gz YYIHXCAAWAZWDM-AWEZNQCLSA-N 1 1 376.551 2.285 20 0 GEADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892704985 654360566 /nfs/dbraw/zinc/36/05/66/654360566.db2.gz WEBBVHNHCGKQGC-AWEZNQCLSA-N 1 1 380.901 2.093 20 0 GEADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835151725 654365696 /nfs/dbraw/zinc/36/56/96/654365696.db2.gz HIJPPOROHMHPCB-CYBMUJFWSA-N 1 1 397.317 2.281 20 0 GEADMO Cc1cc(Br)nc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000835181943 654369127 /nfs/dbraw/zinc/36/91/27/654369127.db2.gz HAHOCKPQURMQDM-ZDUSSCGKSA-N 1 1 397.317 2.424 20 0 GEADMO Cc1nc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000922123509 654370141 /nfs/dbraw/zinc/37/01/41/654370141.db2.gz LAKZGGPONQERFU-JTQLQIEISA-N 1 1 382.349 2.118 20 0 GEADMO CCn1c(C[NH2+][C@H](C)CC(=O)NC)nc(Br)c1Br ZINC000922161302 654372791 /nfs/dbraw/zinc/37/27/91/654372791.db2.gz 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CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000922492381 654397410 /nfs/dbraw/zinc/39/74/10/654397410.db2.gz RAUYHPYCVLJDOW-UHFFFAOYSA-N 1 1 379.554 2.019 20 0 GEADMO COc1ccc(Cl)cc1C[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000922494938 654397678 /nfs/dbraw/zinc/39/76/78/654397678.db2.gz BPUZECBOWNVDCI-UHFFFAOYSA-N 1 1 377.750 2.463 20 0 GEADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1csc(I)n1 ZINC000855162850 654399081 /nfs/dbraw/zinc/39/90/81/654399081.db2.gz OEOAWOQPIUUZRO-QMMMGPOBSA-N 1 1 379.267 2.350 20 0 GEADMO CO[C@@]1(C[NH2+]Cc2cc(C)c(F)cc2Br)CCS(=O)(=O)C1 ZINC000922618252 654404157 /nfs/dbraw/zinc/40/41/57/654404157.db2.gz JGQOWORBFPOYCN-CQSZACIVSA-N 1 1 380.279 2.190 20 0 GEADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739167 654411098 /nfs/dbraw/zinc/41/10/98/654411098.db2.gz CFXZWVJKZUFIRY-UHFFFAOYSA-N 1 1 381.947 2.294 20 0 GEADMO Cc1sc(Br)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346436 654414252 /nfs/dbraw/zinc/41/42/52/654414252.db2.gz 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ZINC000922980292 654423289 /nfs/dbraw/zinc/42/32/89/654423289.db2.gz SUHARFFUXIIRHV-LBPRGKRZSA-N 1 1 380.413 2.238 20 0 GEADMO Cn1ccc(-n2cc(C[N@H+](C)CCc3ccc(Br)cc3)nn2)n1 ZINC000906267480 654424407 /nfs/dbraw/zinc/42/44/07/654424407.db2.gz TZHBXVGQQRYMOU-UHFFFAOYSA-N 1 1 375.274 2.438 20 0 GEADMO Cn1ccc(-n2cc(C[N@@H+](C)CCc3ccc(Br)cc3)nn2)n1 ZINC000906267480 654424411 /nfs/dbraw/zinc/42/44/11/654424411.db2.gz TZHBXVGQQRYMOU-UHFFFAOYSA-N 1 1 375.274 2.438 20 0 GEADMO CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000923126124 654427679 /nfs/dbraw/zinc/42/76/79/654427679.db2.gz HGRDAGSOWMFXJX-KBPBESRZSA-N 1 1 382.306 2.397 20 0 GEADMO Cn1nc(Br)nc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000893871169 654428377 /nfs/dbraw/zinc/42/83/77/654428377.db2.gz HDEYQHUFFLLQSB-YVMONPNESA-N 1 1 376.302 2.409 20 0 GEADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2nscc2I)C1 ZINC000906432832 654436544 /nfs/dbraw/zinc/43/65/44/654436544.db2.gz BOHCZRPIRJOCPL-SECBINFHSA-N 1 1 379.267 2.208 20 0 GEADMO CCn1c2ccc(Br)cc2nc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000893999649 654437026 /nfs/dbraw/zinc/43/70/26/654437026.db2.gz IXMZMFQLBBKVMV-LBPRGKRZSA-N 1 1 386.315 2.486 20 0 GEADMO COC(=O)[C@H]1CC12CC[NH+](Cc1sc(N3CCOCC3)nc1Cl)CC2 ZINC000894029515 654440221 /nfs/dbraw/zinc/44/02/21/654440221.db2.gz ZVXNRKJGSVNZKE-GFCCVEGCSA-N 1 1 385.917 2.408 20 0 GEADMO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1Cl ZINC000855812178 654441405 /nfs/dbraw/zinc/44/14/05/654441405.db2.gz RKYJQPNRQVPMPK-ZDUSSCGKSA-N 1 1 385.917 2.124 20 0 GEADMO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)cn1 ZINC000855814439 654441515 /nfs/dbraw/zinc/44/15/15/654441515.db2.gz DTNJLLZTIPOSBN-LBPRGKRZSA-N 1 1 385.917 2.275 20 0 GEADMO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000873666544 654446151 /nfs/dbraw/zinc/44/61/51/654446151.db2.gz KDOIFGSGMLJJKH-STQMWFEESA-N 1 1 396.285 2.139 20 0 GEADMO CN(C)[C@H](C[NH2+]Cc1c(I)cnn1C)Cc1ccccc1 ZINC000894150276 654450045 /nfs/dbraw/zinc/45/00/45/654450045.db2.gz ZBARQRGHBHQRFK-AWEZNQCLSA-N 1 1 398.292 2.287 20 0 GEADMO O=C(c1nscc1I)N1CC[NH+](C2CCC2)CC1 ZINC000906685140 654459786 /nfs/dbraw/zinc/45/97/86/654459786.db2.gz HSUPQTYQCDXIAE-UHFFFAOYSA-N 1 1 377.251 2.058 20 0 GEADMO Cn1cc(CNCC[N@@H+](C)C2CCCCC2)c(I)n1 ZINC000894206052 654455862 /nfs/dbraw/zinc/45/58/62/654455862.db2.gz DJUBHHGISALJFT-UHFFFAOYSA-N 1 1 376.286 2.379 20 0 GEADMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873744572 654457171 /nfs/dbraw/zinc/45/71/71/654457171.db2.gz JPFZQTRBCSHRPY-UHFFFAOYSA-N 1 1 398.301 2.438 20 0 GEADMO O[C@@H](COc1ccc(Cl)cc1Br)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515596 654458708 /nfs/dbraw/zinc/45/87/08/654458708.db2.gz IICBZGCCSRHQCJ-OUCADQQQSA-N 1 1 389.721 2.384 20 0 GEADMO Cc1cc(OCC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000906676865 654459143 /nfs/dbraw/zinc/45/91/43/654459143.db2.gz HKCHBOTUVNUCNN-CQSZACIVSA-N 1 1 398.345 2.136 20 0 GEADMO 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CC[N@@H+](CCO)CCNC(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000183956679 532330344 /nfs/dbraw/zinc/33/03/44/532330344.db2.gz GFMZAKBVGOFYRX-UHFFFAOYSA-N 1 1 380.286 2.350 20 0 GEADMO CC[N@@H+](CCO)CCNC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000183982271 532330572 /nfs/dbraw/zinc/33/05/72/532330572.db2.gz KIICUNMDSNKFJP-UHFFFAOYSA-N 1 1 379.551 2.372 20 0 GEADMO CC(C)c1n[nH]c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1Br ZINC000184067474 532330861 /nfs/dbraw/zinc/33/08/61/532330861.db2.gz SWMDVOANSASGJI-LBPRGKRZSA-N 1 1 386.338 2.051 20 0 GEADMO C[NH+]1CCN(CCC(C)(C)NC(=O)COc2cccc(Br)c2)CC1 ZINC000184173762 532331064 /nfs/dbraw/zinc/33/10/64/532331064.db2.gz JMPFDFDJZCTHRF-UHFFFAOYSA-N 1 1 398.345 2.360 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184329350 532332004 /nfs/dbraw/zinc/33/20/04/532332004.db2.gz YFWFQZPUNSSWKY-LSDHHAIUSA-N 1 1 398.345 2.359 20 0 GEADMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000184503071 532333153 /nfs/dbraw/zinc/33/31/53/532333153.db2.gz 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ZINC000188652154 532348840 /nfs/dbraw/zinc/34/88/40/532348840.db2.gz XKSCYLRCLHJPCE-LBPRGKRZSA-N 1 1 385.302 2.375 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@H+]1CC(C)(C)O ZINC000188679853 532349018 /nfs/dbraw/zinc/34/90/18/532349018.db2.gz GLTNXWXFVSYJLI-GFCCVEGCSA-N 1 1 387.293 2.434 20 0 GEADMO C[C@@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@H+]1CC(C)(C)O ZINC000188654648 532349106 /nfs/dbraw/zinc/34/91/06/532349106.db2.gz UEVBALFVDAHKDJ-LLVKDONJSA-N 1 1 375.332 2.357 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1Br ZINC000188749710 532349446 /nfs/dbraw/zinc/34/94/46/532349446.db2.gz BNUCVLNJQOBOEM-ZDUSSCGKSA-N 1 1 398.301 2.387 20 0 GEADMO CCOc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC000188753251 532349563 /nfs/dbraw/zinc/34/95/63/532349563.db2.gz UMCBEZQNYMCTEA-NSHDSACASA-N 1 1 398.301 2.385 20 0 GEADMO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)[NH+](C)C ZINC000189112960 532350984 /nfs/dbraw/zinc/35/09/84/532350984.db2.gz HNIZHYYMJZAJLO-MRXNPFEDSA-N 1 1 390.571 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398.345 2.359 20 0 GEADMO COC[C@]1(CO)CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625461884 532429542 /nfs/dbraw/zinc/42/95/42/532429542.db2.gz OYBMCVDWNRRXOW-DOTOQJQBSA-N 1 1 383.286 2.033 20 0 GEADMO Cc1nc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1Br ZINC000281829177 532435410 /nfs/dbraw/zinc/43/54/10/532435410.db2.gz NKHNQALNNUCAAZ-UHFFFAOYSA-N 1 1 384.322 2.300 20 0 GEADMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000295340560 532435546 /nfs/dbraw/zinc/43/55/46/532435546.db2.gz HYCBQGMKRFBDOH-AGIUHOORSA-N 1 1 385.302 2.165 20 0 GEADMO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000626153382 532435733 /nfs/dbraw/zinc/43/57/33/532435733.db2.gz HGDHBTZJCHBEDF-MRXNPFEDSA-N 1 1 396.329 2.398 20 0 GEADMO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000626153382 532435735 /nfs/dbraw/zinc/43/57/35/532435735.db2.gz HGDHBTZJCHBEDF-MRXNPFEDSA-N 1 1 396.329 2.398 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)C1 ZINC000518088038 532435742 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COc1cc(Br)c(C[NH+]2CCC(N3CCNC3=O)CC2)cc1OC ZINC000193978796 532441305 /nfs/dbraw/zinc/44/13/05/532441305.db2.gz RPPLKOCCLMATGJ-UHFFFAOYSA-N 1 1 398.301 2.456 20 0 GEADMO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000650137994 532437185 /nfs/dbraw/zinc/43/71/85/532437185.db2.gz DMNWQPILDYGMKM-PBHICJAKSA-N 1 1 390.281 2.341 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCSC2)cc1Br ZINC000467237142 532441636 /nfs/dbraw/zinc/44/16/36/532441636.db2.gz UGWWZHRKIRLHGO-GFCCVEGCSA-N 1 1 386.315 2.071 20 0 GEADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOc3ccc(Br)cc32)C[C@H](C)O1 ZINC000467136182 532439623 /nfs/dbraw/zinc/43/96/23/532439623.db2.gz GXFYNYRBISDUEX-GUTXKFCHSA-N 1 1 385.302 2.118 20 0 GEADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOc3ccc(Br)cc32)C[C@H](C)O1 ZINC000467136182 532439626 /nfs/dbraw/zinc/43/96/26/532439626.db2.gz GXFYNYRBISDUEX-GUTXKFCHSA-N 1 1 385.302 2.118 20 0 GEADMO O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)Nc1cccc(I)c1 ZINC000373278339 532440361 /nfs/dbraw/zinc/44/03/61/532440361.db2.gz NOGKTXSCQVBRKS-SMDDNHRTSA-N 1 1 386.233 2.341 20 0 GEADMO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000467232742 532442247 /nfs/dbraw/zinc/44/22/47/532442247.db2.gz YNNUFZWPJUJMHN-MRVPVSSYSA-N 1 1 388.212 2.019 20 0 GEADMO CSC[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467247279 532442873 /nfs/dbraw/zinc/44/28/73/532442873.db2.gz GAMYTMIRTHRHLC-JTQLQIEISA-N 1 1 388.331 2.317 20 0 GEADMO OCC[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218211 532443286 /nfs/dbraw/zinc/44/32/86/532443286.db2.gz GQJOLOITVDCOMB-DOMZBBRYSA-N 1 1 376.266 2.422 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000194194796 532444805 /nfs/dbraw/zinc/44/48/05/532444805.db2.gz MYPSRIPKWJZRIX-AWEZNQCLSA-N 1 1 375.460 2.497 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000194194796 532444815 /nfs/dbraw/zinc/44/48/15/532444815.db2.gz MYPSRIPKWJZRIX-AWEZNQCLSA-N 1 1 375.460 2.497 20 0 GEADMO COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000682433768 532444884 /nfs/dbraw/zinc/44/48/84/532444884.db2.gz XGJZWSDRBVYCCJ-CQSZACIVSA-N 1 1 398.301 2.087 20 0 GEADMO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000467421045 532446637 /nfs/dbraw/zinc/44/66/37/532446637.db2.gz WLRPTCKQOOOKFV-HNNXBMFYSA-N 1 1 381.519 2.432 20 0 GEADMO O=C(Cc1c(Cl)cccc1Br)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627270646 532448783 /nfs/dbraw/zinc/44/87/83/532448783.db2.gz KOBVROBGAJPQLK-NWDGAFQWSA-N 1 1 387.705 2.313 20 0 GEADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000592288845 532446218 /nfs/dbraw/zinc/44/62/18/532446218.db2.gz ZDOVGEPUDCMJTP-LBPRGKRZSA-N 1 1 384.395 2.234 20 0 GEADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000592288845 532446221 /nfs/dbraw/zinc/44/62/21/532446221.db2.gz ZDOVGEPUDCMJTP-LBPRGKRZSA-N 1 1 384.395 2.234 20 0 GEADMO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCn1cc(Br)cn1 ZINC000561791967 532452028 /nfs/dbraw/zinc/45/20/28/532452028.db2.gz HGXQHUXZENIKRS-UHFFFAOYSA-N 1 1 395.257 2.335 20 0 GEADMO CSc1cc(Br)ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627270240 532449780 /nfs/dbraw/zinc/44/97/80/532449780.db2.gz DWVLNLVBRGVKRP-STQMWFEESA-N 1 1 385.327 2.452 20 0 GEADMO C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000682876784 532450830 /nfs/dbraw/zinc/45/08/30/532450830.db2.gz IMUHYTKFLDXUAU-BLLLJJGKSA-N 1 1 382.302 2.236 20 0 GEADMO C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000682876784 532450836 /nfs/dbraw/zinc/45/08/36/532450836.db2.gz IMUHYTKFLDXUAU-BLLLJJGKSA-N 1 1 382.302 2.236 20 0 GEADMO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000650709624 532452754 /nfs/dbraw/zinc/45/27/54/532452754.db2.gz ITZADKZNZGXVJC-AWEZNQCLSA-N 1 1 385.339 2.313 20 0 GEADMO CCO[C@H](C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CC1 ZINC000627664224 532453436 /nfs/dbraw/zinc/45/34/36/532453436.db2.gz YYZCXFRACHPLKD-HNNXBMFYSA-N 1 1 397.317 2.350 20 0 GEADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ncc(I)s1 ZINC000561957521 532454239 /nfs/dbraw/zinc/45/42/39/532454239.db2.gz RNFHXJXFBHYVFW-JTQLQIEISA-N 1 1 395.310 2.025 20 0 GEADMO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295506626 532455262 /nfs/dbraw/zinc/45/52/62/532455262.db2.gz PPDKCKKKHZZKRA-ZDUSSCGKSA-N 1 1 385.295 2.147 20 0 GEADMO Brc1ccc(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)cc1 ZINC000373534576 532455339 /nfs/dbraw/zinc/45/53/39/532455339.db2.gz YKIYUIMYKKUYLJ-UHFFFAOYSA-N 1 1 386.257 2.463 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(Cl)c3)C[C@H]2C1 ZINC000194920440 532462473 /nfs/dbraw/zinc/46/24/73/532462473.db2.gz AJRXGBHJPIPPMA-AOOOYVTPSA-N 1 1 386.677 2.061 20 0 GEADMO CCn1cc(Br)cc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000373588274 532458549 /nfs/dbraw/zinc/45/85/49/532458549.db2.gz KQBSNGMHVGCSQN-UHFFFAOYSA-N 1 1 380.290 2.403 20 0 GEADMO C[N@H+]1CC[C@H](CNC(=O)N[C@H](CO)CCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000650997580 532459824 /nfs/dbraw/zinc/45/98/24/532459824.db2.gz IVOUTDWSTMADQX-DVOMOZLQSA-N 1 1 375.847 2.492 20 0 GEADMO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000428765636 532460153 /nfs/dbraw/zinc/46/01/53/532460153.db2.gz KHHHPRCJSFRWEC-MRXNPFEDSA-N 1 1 387.274 2.254 20 0 GEADMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000428775653 532460764 /nfs/dbraw/zinc/46/07/64/532460764.db2.gz CATODOVHLINXHT-MRXNPFEDSA-N 1 1 388.258 2.278 20 0 GEADMO CCOCC[NH+]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651304015 532463654 /nfs/dbraw/zinc/46/36/54/532463654.db2.gz UJTLSCDZGIEBNZ-OAHLLOKOSA-N 1 1 397.313 2.496 20 0 GEADMO C[C@H]1CC[N@H+](CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000519422443 532464446 /nfs/dbraw/zinc/46/44/46/532464446.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 1 378.274 2.192 20 0 GEADMO C[C@H]1CC[N@@H+](CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000519422443 532464456 /nfs/dbraw/zinc/46/44/56/532464456.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 1 378.274 2.192 20 0 GEADMO C[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C1=CC[N@@H+](C)CC1 ZINC000295624550 532464958 /nfs/dbraw/zinc/46/49/58/532464958.db2.gz AQZIIHPVDFCKMD-LBPRGKRZSA-N 1 1 390.285 2.410 20 0 GEADMO C[C@@H]([NH3+])C1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000428899098 532465453 /nfs/dbraw/zinc/46/54/53/532465453.db2.gz WNANCWXMZHASFN-SECBINFHSA-N 1 1 398.248 2.367 20 0 GEADMO C[C@@H]1[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC[N@H+]1C ZINC000428967248 532466431 /nfs/dbraw/zinc/46/64/31/532466431.db2.gz MDJYCWSWOJPFDJ-CKEIUWERSA-N 1 1 398.345 2.382 20 0 GEADMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncnc2cc(Br)sc21 ZINC000651342223 532466624 /nfs/dbraw/zinc/46/66/24/532466624.db2.gz NMXANNDNAZMSIO-NSHDSACASA-N 1 1 384.347 2.892 20 0 GEADMO C[C@@H]1[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CCC[N@H+]1C ZINC000428967249 532466851 /nfs/dbraw/zinc/46/68/51/532466851.db2.gz MDJYCWSWOJPFDJ-CPUCHLNUSA-N 1 1 398.345 2.382 20 0 GEADMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncnc2cc(Br)sc21 ZINC000651342222 532467100 /nfs/dbraw/zinc/46/71/00/532467100.db2.gz NMXANNDNAZMSIO-LLVKDONJSA-N 1 1 384.347 2.892 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3Br)C[C@H]2C1 ZINC000194923405 532462861 /nfs/dbraw/zinc/46/28/61/532462861.db2.gz OTDNSTIKDOKSSI-AOOOYVTPSA-N 1 1 386.677 2.061 20 0 GEADMO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000683620353 532463129 /nfs/dbraw/zinc/46/31/29/532463129.db2.gz RKOLVPQPNDYNPV-JSGCOSHPSA-N 1 1 378.270 2.182 20 0 GEADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(Br)c3)C[C@H]2C1 ZINC000194917605 532463380 /nfs/dbraw/zinc/46/33/80/532463380.db2.gz WXVPWNXENNXRMU-AOOOYVTPSA-N 1 1 386.677 2.061 20 0 GEADMO CCn1cc(C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)cn1 ZINC000295622699 532463476 /nfs/dbraw/zinc/46/34/76/532463476.db2.gz HAHOQLXWVCYXML-GFCCVEGCSA-N 1 1 395.301 2.469 20 0 GEADMO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000519535630 532467670 /nfs/dbraw/zinc/46/76/70/532467670.db2.gz AWALDJGKZQECRQ-UHFFFAOYSA-N 1 1 382.404 2.111 20 0 GEADMO O=C(NCC[NH+]1CCSCC1)c1ccccc1-n1cc(Br)cn1 ZINC000562516005 532468215 /nfs/dbraw/zinc/46/82/15/532468215.db2.gz KDUORFNGSHOBQP-UHFFFAOYSA-N 1 1 395.326 2.413 20 0 GEADMO C[C@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000651367068 532468370 /nfs/dbraw/zinc/46/83/70/532468370.db2.gz PCZRFVKQKFDCQO-HIFRSBDPSA-N 1 1 397.313 2.400 20 0 GEADMO CC(C)C[C@@H](C[NH3+])NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000429319400 532473712 /nfs/dbraw/zinc/47/37/12/532473712.db2.gz RQJSZLKBHJAWDX-JTQLQIEISA-N 1 1 386.237 2.271 20 0 GEADMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684182974 532470697 /nfs/dbraw/zinc/47/06/97/532470697.db2.gz MRORCCZVZMMBSR-HUUCEWRRSA-N 1 1 388.270 2.368 20 0 GEADMO C[N@H+]1CC[C@H](C(=O)NCc2c(Br)cncc2Br)C1 ZINC000562555522 532471748 /nfs/dbraw/zinc/47/17/48/532471748.db2.gz BIWCECQKEQDYIF-QMMMGPOBSA-N 1 1 377.080 2.175 20 0 GEADMO COC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000468836718 532477432 /nfs/dbraw/zinc/47/74/32/532477432.db2.gz FOVOIZUEDNNMLK-UHFFFAOYSA-N 1 1 380.432 2.225 20 0 GEADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000282579716 532480242 /nfs/dbraw/zinc/48/02/42/532480242.db2.gz LFCDSBQDROKHHD-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000282579716 532480247 /nfs/dbraw/zinc/48/02/47/532480247.db2.gz LFCDSBQDROKHHD-LLVKDONJSA-N 1 1 397.722 2.102 20 0 GEADMO Ic1cc2ncnc(N[C@H]3CC[N@H+](C4CC4)C3)c2s1 ZINC000593458596 532481710 /nfs/dbraw/zinc/48/17/10/532481710.db2.gz TWGAYIAJRPYVSX-QMMMGPOBSA-N 1 1 386.262 2.945 20 0 GEADMO C[NH+]1CCN([C@H](CNC(=O)c2nc3c(s2)CCC3)c2cccs2)CC1 ZINC000562782587 532482010 /nfs/dbraw/zinc/48/20/10/532482010.db2.gz ZQWNEBSZKZNZAT-CQSZACIVSA-N 1 1 376.551 2.412 20 0 GEADMO CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CN1CCOCC1 ZINC000519908251 532484320 /nfs/dbraw/zinc/48/43/20/532484320.db2.gz OUAMGODNLAUPLS-INIZCTEOSA-N 1 1 389.309 2.492 20 0 GEADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429976370 532485687 /nfs/dbraw/zinc/48/56/87/532485687.db2.gz VARGHERXESAHGB-LBPRGKRZSA-N 1 1 380.290 2.902 20 0 GEADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429948287 532485881 /nfs/dbraw/zinc/48/58/81/532485881.db2.gz PMRSLYRXVVPMLF-BXUZGUMPSA-N 1 1 378.274 2.797 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000374033741 532486504 /nfs/dbraw/zinc/48/65/04/532486504.db2.gz NCEWBWDTLHUGNU-PBHICJAKSA-N 1 1 387.293 2.418 20 0 GEADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000374033741 532486507 /nfs/dbraw/zinc/48/65/07/532486507.db2.gz NCEWBWDTLHUGNU-PBHICJAKSA-N 1 1 387.293 2.418 20 0 GEADMO C[NH+]1CCN(CC2(C)CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000430099973 532488452 /nfs/dbraw/zinc/48/84/52/532488452.db2.gz MTJUTCMHSQXKSC-UHFFFAOYSA-N 1 1 383.945 2.460 20 0 GEADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000685025495 532490198 /nfs/dbraw/zinc/49/01/98/532490198.db2.gz QTNJZYAOGDWVLB-MRVPVSSYSA-N 1 1 392.656 2.391 20 0 GEADMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000520385588 532491238 /nfs/dbraw/zinc/49/12/38/532491238.db2.gz MYGYJLSNPOAUFC-CYBMUJFWSA-N 1 1 383.901 2.082 20 0 GEADMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000520385588 532491248 /nfs/dbraw/zinc/49/12/48/532491248.db2.gz MYGYJLSNPOAUFC-CYBMUJFWSA-N 1 1 383.901 2.082 20 0 GEADMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)ccc1Br ZINC000430219124 532493393 /nfs/dbraw/zinc/49/33/93/532493393.db2.gz KXHYVTPDPFPAQV-INIZCTEOSA-N 1 1 392.297 2.492 20 0 GEADMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)ccc1Br ZINC000430219124 532493396 /nfs/dbraw/zinc/49/33/96/532493396.db2.gz KXHYVTPDPFPAQV-INIZCTEOSA-N 1 1 392.297 2.492 20 0 GEADMO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000430274906 532494427 /nfs/dbraw/zinc/49/44/27/532494427.db2.gz FWLDZBDGBMOYHM-GFCCVEGCSA-N 1 1 385.917 2.427 20 0 GEADMO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000430274906 532494435 /nfs/dbraw/zinc/49/44/35/532494435.db2.gz FWLDZBDGBMOYHM-GFCCVEGCSA-N 1 1 385.917 2.427 20 0 GEADMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000520647569 532497390 /nfs/dbraw/zinc/49/73/90/532497390.db2.gz VEZKZJKMRWLDTH-NSHDSACASA-N 1 1 394.273 2.141 20 0 GEADMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000520970443 532502197 /nfs/dbraw/zinc/50/21/97/532502197.db2.gz IWBRYYAXVNJCOW-XJKSGUPXSA-N 1 1 394.313 2.216 20 0 GEADMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000520970443 532502198 /nfs/dbraw/zinc/50/21/98/532502198.db2.gz IWBRYYAXVNJCOW-XJKSGUPXSA-N 1 1 394.313 2.216 20 0 GEADMO COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000563364521 532502601 /nfs/dbraw/zinc/50/26/01/532502601.db2.gz OGBIIJMFKUDISU-IRXDYDNUSA-N 1 1 397.313 2.460 20 0 GEADMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469485746 532502978 /nfs/dbraw/zinc/50/29/78/532502978.db2.gz KKEDEJWBZGCVTN-CYBMUJFWSA-N 1 1 384.318 2.418 20 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Cc1nn(C)c(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)c1C(F)F ZINC000333132499 532864194 /nfs/dbraw/zinc/86/41/94/532864194.db2.gz ICVGUTNMRSDPDM-UHFFFAOYSA-N 1 1 376.473 2.305 20 0 GEADMO Cc1nn(C)c(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)c1C(F)F ZINC000333132499 532864196 /nfs/dbraw/zinc/86/41/96/532864196.db2.gz ICVGUTNMRSDPDM-UHFFFAOYSA-N 1 1 376.473 2.305 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333159890 532865452 /nfs/dbraw/zinc/86/54/52/532865452.db2.gz LSGYNPUOIUIAMT-AWEZNQCLSA-N 1 1 395.301 2.186 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275139098 532865764 /nfs/dbraw/zinc/86/57/64/532865764.db2.gz URUCGDYOXUUZNU-VHSXEESVSA-N 1 1 378.782 2.062 20 0 GEADMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275139098 532865766 /nfs/dbraw/zinc/86/57/66/532865766.db2.gz URUCGDYOXUUZNU-VHSXEESVSA-N 1 1 378.782 2.062 20 0 GEADMO Brc1ccc(C2([NH2+]Cc3nnc4n3CCOC4)CCOCC2)cc1 ZINC000333277422 532866565 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380.286 2.458 20 0 GEADMO COc1ccc(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1Br ZINC000416285846 532869478 /nfs/dbraw/zinc/86/94/78/532869478.db2.gz AGCCAWPGAPSAIF-UONOGXRCSA-N 1 1 399.329 2.304 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416297616 532869662 /nfs/dbraw/zinc/86/96/62/532869662.db2.gz PVIGESDGXXMFLQ-QLFBSQMISA-N 1 1 399.329 2.438 20 0 GEADMO Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416297616 532869665 /nfs/dbraw/zinc/86/96/65/532869665.db2.gz PVIGESDGXXMFLQ-QLFBSQMISA-N 1 1 399.329 2.438 20 0 GEADMO Cc1ccc(OCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416286002 532869826 /nfs/dbraw/zinc/86/98/26/532869826.db2.gz AKGUQZJWGBSXQT-HUUCEWRRSA-N 1 1 399.329 2.440 20 0 GEADMO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416305036 532870272 /nfs/dbraw/zinc/87/02/72/532870272.db2.gz ZYYSHYXSEJZGQH-IHRRRGAJSA-N 1 1 385.302 2.130 20 0 GEADMO 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O=C(Nc1nccs1)[C@@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000366469563 532917704 /nfs/dbraw/zinc/91/77/04/532917704.db2.gz RIUJLEAVAKYUAD-KGLIPLIRSA-N 1 1 381.523 2.433 20 0 GEADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(I)cc3)C2)C1 ZINC000366555198 532918832 /nfs/dbraw/zinc/91/88/32/532918832.db2.gz CYTYASDBDRYUGM-MRXNPFEDSA-N 1 1 384.261 2.388 20 0 GEADMO O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000366651907 532920062 /nfs/dbraw/zinc/92/00/62/532920062.db2.gz JHPSCQLROIHGAZ-KBPBESRZSA-N 1 1 376.881 2.089 20 0 GEADMO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000293009059 532921069 /nfs/dbraw/zinc/92/10/69/532921069.db2.gz NVDGYVGFDSTVSQ-JKSUJKDBSA-N 1 1 387.571 2.061 20 0 GEADMO C[C@@H](C(=O)N1CC[C@H](Nc2cccc(Br)c2)C1)N1CC[NH+](C)CC1 ZINC000366811418 532921298 /nfs/dbraw/zinc/92/12/98/532921298.db2.gz QCJMHNIRXDHGRK-YOEHRIQHSA-N 1 1 395.345 2.098 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293061571 532921532 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/nfs/dbraw/zinc/93/66/70/532936670.db2.gz GRRKRTLSBATMDU-CABCVRRESA-N 1 1 382.302 2.454 20 0 GEADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000368974372 532936271 /nfs/dbraw/zinc/93/62/71/532936271.db2.gz NQFOGRAEVQLBIW-AWEZNQCLSA-N 1 1 381.314 2.396 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369025953 532936426 /nfs/dbraw/zinc/93/64/26/532936426.db2.gz GRRKRTLSBATMDU-LSDHHAIUSA-N 1 1 382.302 2.454 20 0 GEADMO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369541996 532939976 /nfs/dbraw/zinc/93/99/76/532939976.db2.gz XJTHKFISIYPZGW-YPMHNXCESA-N 1 1 388.946 2.415 20 0 GEADMO CC[N@H+]1CC[C@H](CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294337189 532938129 /nfs/dbraw/zinc/93/81/29/532938129.db2.gz AJUCTMOPZUESQG-GFCCVEGCSA-N 1 1 378.274 2.101 20 0 GEADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Br)cc3O)CC2)C1 ZINC000369340916 532938627 /nfs/dbraw/zinc/93/86/27/532938627.db2.gz BCRLGGADSOJWJN-AWEZNQCLSA-N 1 1 382.302 2.007 20 0 GEADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334237 532938650 /nfs/dbraw/zinc/93/86/50/532938650.db2.gz DIKNGGXMFNBQOJ-LBPRGKRZSA-N 1 1 386.359 2.338 20 0 GEADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334237 532938652 /nfs/dbraw/zinc/93/86/52/532938652.db2.gz DIKNGGXMFNBQOJ-LBPRGKRZSA-N 1 1 386.359 2.338 20 0 GEADMO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369497919 532939525 /nfs/dbraw/zinc/93/95/25/532939525.db2.gz GFRZGWPFZVOTJF-GFCCVEGCSA-N 1 1 384.249 2.223 20 0 GEADMO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000369531660 532939733 /nfs/dbraw/zinc/93/97/33/532939733.db2.gz LLZXESHEZYIAGT-JTQLQIEISA-N 1 1 378.420 2.191 20 0 GEADMO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000369531660 532939734 /nfs/dbraw/zinc/93/97/34/532939734.db2.gz LLZXESHEZYIAGT-JTQLQIEISA-N 1 1 378.420 2.191 20 0 GEADMO COCCC[N@H+]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000369903746 532941222 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COc1ccc(Br)cc1/C=C/C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370780493 532945352 /nfs/dbraw/zinc/94/53/52/532945352.db2.gz SKJAIARXVILLEZ-AUYOJAJCSA-N 1 1 395.297 2.404 20 0 GEADMO COc1cccc(-n2cc(C[NH2+][C@@H](C)Cn3cc(Br)cn3)nn2)c1 ZINC000370660049 532944665 /nfs/dbraw/zinc/94/46/65/532944665.db2.gz ILXTVMJZBWOQJE-LBPRGKRZSA-N 1 1 391.273 2.413 20 0 GEADMO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371373899 532947908 /nfs/dbraw/zinc/94/79/08/532947908.db2.gz CGTMGNRPPXSPDR-NVXWUHKLSA-N 1 1 385.961 2.295 20 0 GEADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000371608907 532948963 /nfs/dbraw/zinc/94/89/63/532948963.db2.gz VESRLAWEICVTEG-HUUCEWRRSA-N 1 1 392.297 2.081 20 0 GEADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000371054624 532946763 /nfs/dbraw/zinc/94/67/63/532946763.db2.gz NUKFZQBKCLKBQT-OAHLLOKOSA-N 1 1 389.924 2.021 20 0 GEADMO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000371854272 532949645 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Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000737246413 598829231 /nfs/dbraw/zinc/82/92/31/598829231.db2.gz UBJSFIVYOAHBHP-HNNXBMFYSA-N 1 1 396.430 2.418 20 0 GEADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736266859 598868523 /nfs/dbraw/zinc/86/85/23/598868523.db2.gz KPSMVJYJZZBGTK-IAGOWNOFSA-N 1 1 398.511 2.359 20 0 GEADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267149 598871240 /nfs/dbraw/zinc/87/12/40/598871240.db2.gz MBQKBUIMIMKGCE-DLBZAZTESA-N 1 1 397.527 2.392 20 0 GEADMO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736608386 598872351 /nfs/dbraw/zinc/87/23/51/598872351.db2.gz JLTHKFJKIZLHMJ-OCCSQVGLSA-N 1 1 376.461 2.152 20 0 GEADMO CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736608386 598872353 /nfs/dbraw/zinc/87/23/53/598872353.db2.gz JLTHKFJKIZLHMJ-OCCSQVGLSA-N 1 1 376.461 2.152 20 0 GEADMO COC(=O)[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736894729 598884580 /nfs/dbraw/zinc/88/45/80/598884580.db2.gz HTLYYWQOWPUOIO-KXBFYZLASA-N 1 1 394.479 2.191 20 0 GEADMO CC(C)[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735699947 598907253 /nfs/dbraw/zinc/90/72/53/598907253.db2.gz DOVSAJRVAAXICL-INIZCTEOSA-N 1 1 385.516 2.376 20 0 GEADMO C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000736792466 598916908 /nfs/dbraw/zinc/91/69/08/598916908.db2.gz DUJOCZGCYOQPPF-RTBURBONSA-N 1 1 379.464 2.096 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000737032601 598983148 /nfs/dbraw/zinc/98/31/48/598983148.db2.gz MNTWHKGSMDBUFW-UHFFFAOYSA-N 1 1 394.479 2.466 20 0 GEADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000737032481 598984981 /nfs/dbraw/zinc/98/49/81/598984981.db2.gz LFPRNTIAGUIHJZ-OAHLLOKOSA-N 1 1 395.467 2.083 20 0 GEADMO CCC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 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/nfs/dbraw/zinc/28/45/01/606284501.db2.gz NZKKDPGBMUKGIZ-OAHLLOKOSA-N 1 1 392.463 2.222 20 0 GEADMO C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(Cl)nc1 ZINC000821597688 606434388 /nfs/dbraw/zinc/43/43/88/606434388.db2.gz CQSPHXDLTKVTNS-UHFFFAOYSA-N 1 1 377.861 2.437 20 0 GEADMO Cc1cc(N2CCC[C@@H](OC(=O)c3cc(-c4nn[nH]n4)cs3)C2)nc(C)[nH+]1 ZINC000822207267 606466882 /nfs/dbraw/zinc/46/68/82/606466882.db2.gz QBEHNIINMXTMQQ-CYBMUJFWSA-N 1 1 385.453 2.161 20 0 GEADMO O=C(CC[N@H+]1CCOC[C@H]1Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969618 606523695 /nfs/dbraw/zinc/52/36/95/606523695.db2.gz UBLXECDKFCLTQU-QGZVFWFLSA-N 1 1 392.463 2.139 20 0 GEADMO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823099175 606551471 /nfs/dbraw/zinc/55/14/71/606551471.db2.gz ZIJCHTMBRBGMGW-LJQANCHMSA-N 1 1 390.491 2.090 20 0 GEADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822477553 606602739 /nfs/dbraw/zinc/60/27/39/606602739.db2.gz MNEBHMIREWTPAC-CXAGYDPISA-N 1 1 380.456 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20 0 GEADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451573247 650126668 /nfs/dbraw/zinc/12/66/68/650126668.db2.gz UIBHZEWLTDJGLY-AWEZNQCLSA-N 1 1 383.286 2.260 20 0 GEADMO Cc1cc(NC(=O)[C@H](C)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000451650834 650128780 /nfs/dbraw/zinc/12/87/80/650128780.db2.gz FOZAUHCJJFTVPU-ZNMIVQPWSA-N 1 1 398.345 2.471 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451862520 650148169 /nfs/dbraw/zinc/14/81/69/650148169.db2.gz OSLBTIGTQFCVRW-CABCVRRESA-N 1 1 394.313 2.103 20 0 GEADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451862520 650148173 /nfs/dbraw/zinc/14/81/73/650148173.db2.gz OSLBTIGTQFCVRW-CABCVRRESA-N 1 1 394.313 2.103 20 0 GEADMO COC[C@@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000451930312 650154605 /nfs/dbraw/zinc/15/46/05/650154605.db2.gz QQJNZBZTWMTNJZ-INIZCTEOSA-N 1 1 389.265 2.248 20 0 GEADMO COC[C@]1(CO)CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000451933237 650154870 /nfs/dbraw/zinc/15/48/70/650154870.db2.gz UJYCEXIOOVMRKS-MRXNPFEDSA-N 1 1 382.258 2.330 20 0 GEADMO COC[C@]1(CO)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000451933237 650154872 /nfs/dbraw/zinc/15/48/72/650154872.db2.gz UJYCEXIOOVMRKS-MRXNPFEDSA-N 1 1 382.258 2.330 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000452124728 650175304 /nfs/dbraw/zinc/17/53/04/650175304.db2.gz WSRLECIKSVTVJI-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000452124728 650175309 /nfs/dbraw/zinc/17/53/09/650175309.db2.gz WSRLECIKSVTVJI-NSHDSACASA-N 1 1 379.810 2.296 20 0 GEADMO C[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@H+](C2CC2)C1 ZINC000452171351 650176415 /nfs/dbraw/zinc/17/64/15/650176415.db2.gz KERYJOMMITUYQC-LBPRGKRZSA-N 1 1 381.318 2.466 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452353810 650181061 /nfs/dbraw/zinc/18/10/61/650181061.db2.gz UXRDMCRDJMWCJH-UKRRQHHQSA-N 1 1 385.302 2.179 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c(F)cc(Br)cc1F ZINC000452361288 650181545 /nfs/dbraw/zinc/18/15/45/650181545.db2.gz JWXXPGSEMCEBAO-LLVKDONJSA-N 1 1 377.229 2.304 20 0 GEADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)C1(c2ccc(Br)cc2)CC1 ZINC000452356196 650181643 /nfs/dbraw/zinc/18/16/43/650181643.db2.gz ZSAXILKUBISJSG-MRXNPFEDSA-N 1 1 381.314 2.444 20 0 GEADMO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452361697 650181932 /nfs/dbraw/zinc/18/19/32/650181932.db2.gz KBNVJBLJSLGSCP-UKRRQHHQSA-N 1 1 385.302 2.179 20 0 GEADMO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452366757 650182320 /nfs/dbraw/zinc/18/23/20/650182320.db2.gz PAXVCCGBTCOPTH-HNNXBMFYSA-N 1 1 394.313 2.436 20 0 GEADMO O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452379489 650182916 /nfs/dbraw/zinc/18/29/16/650182916.db2.gz CJICGKBVDHSAHF-NSHDSACASA-N 1 1 391.256 2.233 20 0 GEADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c(F)ccc(Br)c1F ZINC000452379723 650183064 /nfs/dbraw/zinc/18/30/64/650183064.db2.gz RHCBDUXLTKUXNN-JTQLQIEISA-N 1 1 377.229 2.304 20 0 GEADMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452383459 650183479 /nfs/dbraw/zinc/18/34/79/650183479.db2.gz AQQSDBBFXYKAOD-UKRRQHHQSA-N 1 1 385.302 2.179 20 0 GEADMO CC(C)c1[nH+]ccn1CCC(=O)NCCn1cc(Br)ccc1=O ZINC000452724741 650194312 /nfs/dbraw/zinc/19/43/12/650194312.db2.gz CZVBBZKIFNSTJW-UHFFFAOYSA-N 1 1 381.274 2.137 20 0 GEADMO CCN(CCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000453065741 650205719 /nfs/dbraw/zinc/20/57/19/650205719.db2.gz KGHBBDLYUQSTMW-MRXNPFEDSA-N 1 1 384.933 2.424 20 0 GEADMO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000453607501 650210340 /nfs/dbraw/zinc/21/03/40/650210340.db2.gz GCOAZOAAGDSJDF-NWDGAFQWSA-N 1 1 397.317 2.328 20 0 GEADMO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000453652327 650212646 /nfs/dbraw/zinc/21/26/46/650212646.db2.gz OODICLXPVFHIDG-SNVBAGLBSA-N 1 1 384.249 2.188 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cnc2C)[C@H](C)C1 ZINC000453710049 650218479 /nfs/dbraw/zinc/21/84/79/650218479.db2.gz DZUVMAXZTXXEPK-IAQYHMDHSA-N 1 1 397.317 2.280 20 0 GEADMO O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453724795 650220078 /nfs/dbraw/zinc/22/00/78/650220078.db2.gz JDLZIGGYONOZEZ-UHFFFAOYSA-N 1 1 386.677 2.419 20 0 GEADMO O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453724795 650220084 /nfs/dbraw/zinc/22/00/84/650220084.db2.gz JDLZIGGYONOZEZ-UHFFFAOYSA-N 1 1 386.677 2.419 20 0 GEADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000453978366 650242431 /nfs/dbraw/zinc/24/24/31/650242431.db2.gz PKXIOFZUUAFNMI-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000453978366 650242441 /nfs/dbraw/zinc/24/24/41/650242441.db2.gz PKXIOFZUUAFNMI-LBPRGKRZSA-N 1 1 386.265 2.469 20 0 GEADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000453989308 650243829 /nfs/dbraw/zinc/24/38/29/650243829.db2.gz ADKRDVMAWSCXPM-LBPRGKRZSA-N 1 1 398.301 2.339 20 0 GEADMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000453995247 650244483 /nfs/dbraw/zinc/24/44/83/650244483.db2.gz LJARWPXMHMWYGY-GFCCVEGCSA-N 1 1 398.301 2.339 20 0 GEADMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000454065976 650250261 /nfs/dbraw/zinc/25/02/61/650250261.db2.gz GYIDMGAXUACPCU-UHFFFAOYSA-N 1 1 394.313 2.329 20 0 GEADMO COc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000454069247 650250610 /nfs/dbraw/zinc/25/06/10/650250610.db2.gz MGHHHXBQVPLSOF-UHFFFAOYSA-N 1 1 398.301 2.387 20 0 GEADMO COc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000454087655 650251948 /nfs/dbraw/zinc/25/19/48/650251948.db2.gz GTRHLCDMWDCVFT-GFCCVEGCSA-N 1 1 398.301 2.337 20 0 GEADMO C[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)O1 ZINC000454109424 650253749 /nfs/dbraw/zinc/25/37/49/650253749.db2.gz CLCUVXVPIRHSEN-BXUZGUMPSA-N 1 1 398.301 2.133 20 0 GEADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000454106804 650253915 /nfs/dbraw/zinc/25/39/15/650253915.db2.gz RESUHRQIMWRZNJ-GFCCVEGCSA-N 1 1 386.265 2.468 20 0 GEADMO Cc1c[nH+]c(N[C@@H](CO)CC(F)(F)F)nc1N[C@@H](CO)CC(F)(F)F ZINC000535987198 650262071 /nfs/dbraw/zinc/26/20/71/650262071.db2.gz SCIXDJLXRPBARL-RKDXNWHRSA-N 1 1 376.301 2.235 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)NCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000454532392 650269012 /nfs/dbraw/zinc/26/90/12/650269012.db2.gz CACQYMXMEMOACY-LBPRGKRZSA-N 1 1 376.284 2.392 20 0 GEADMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000454696769 650276299 /nfs/dbraw/zinc/27/62/99/650276299.db2.gz MQUNTYJNPQAMJH-GFCCVEGCSA-N 1 1 386.290 2.426 20 0 GEADMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Br)c1 ZINC000454704066 650276821 /nfs/dbraw/zinc/27/68/21/650276821.db2.gz VJYPMYQECSXKEP-GFCCVEGCSA-N 1 1 386.290 2.426 20 0 GEADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1c(F)cc(Br)cc1F ZINC000454875618 650281608 /nfs/dbraw/zinc/28/16/08/650281608.db2.gz WLAUXXMPAYDFBT-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1c(F)cc(Br)cc1F ZINC000454875618 650281611 /nfs/dbraw/zinc/28/16/11/650281611.db2.gz WLAUXXMPAYDFBT-SECBINFHSA-N 1 1 378.217 2.258 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCn1cc(Br)ccc1=O ZINC000454977597 650285932 /nfs/dbraw/zinc/28/59/32/650285932.db2.gz HGKVREWHUZKJTO-ZDUSSCGKSA-N 1 1 387.322 2.030 20 0 GEADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000455026257 650287467 /nfs/dbraw/zinc/28/74/67/650287467.db2.gz YQDIKBVRLQXKSL-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000455026257 650287470 /nfs/dbraw/zinc/28/74/70/650287470.db2.gz YQDIKBVRLQXKSL-VIFPVBQESA-N 1 1 378.217 2.258 20 0 GEADMO COc1cc(Br)cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000455041680 650288346 /nfs/dbraw/zinc/28/83/46/650288346.db2.gz FQYGADAVZHJVQK-AWEZNQCLSA-N 1 1 386.290 2.426 20 0 GEADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455553174 650307953 /nfs/dbraw/zinc/30/79/53/650307953.db2.gz MBRVNQOEKWEJJZ-XHSDSOJGSA-N 1 1 394.313 2.009 20 0 GEADMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455709973 650314122 /nfs/dbraw/zinc/31/41/22/650314122.db2.gz SBOVOKYPKMFCNX-NWDGAFQWSA-N 1 1 380.436 2.153 20 0 GEADMO Cc1csc([C@@H](NC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)C(F)(F)F)n1 ZINC000455717402 650314144 /nfs/dbraw/zinc/31/41/44/650314144.db2.gz ZYIPDQAIAFRIGX-VXGBXAGGSA-N 1 1 380.436 2.153 20 0 GEADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cn2)[C@@H](C)C1 ZINC000455731154 650314734 /nfs/dbraw/zinc/31/47/34/650314734.db2.gz AWYCNFDOIRBMAW-SMDDNHRTSA-N 1 1 387.265 2.489 20 0 GEADMO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000455855572 650322140 /nfs/dbraw/zinc/32/21/40/650322140.db2.gz ZJQNMSREDDRGKO-VXGBXAGGSA-N 1 1 395.305 2.734 20 0 GEADMO CN(C)c1cc(NC(=O)NCC[NH+]2CCSCC2)ncc1Br ZINC000455866246 650324069 /nfs/dbraw/zinc/32/40/69/650324069.db2.gz MXGHKKJYAGFKPN-UHFFFAOYSA-N 1 1 388.335 2.080 20 0 GEADMO C[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)[N@H+]1CCCC[C@H]1C ZINC000455839533 650321281 /nfs/dbraw/zinc/32/12/81/650321281.db2.gz HPFBNDUSRDUNIO-VXGBXAGGSA-N 1 1 395.305 2.876 20 0 GEADMO C[C@@H]1CN(C(=O)c2ccc(I)cn2)CC[N@H+](C2CC2)C1 ZINC000456025249 650327757 /nfs/dbraw/zinc/32/77/57/650327757.db2.gz CHCOBERLHFTFNL-NSHDSACASA-N 1 1 385.249 2.243 20 0 GEADMO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000456131303 650331649 /nfs/dbraw/zinc/33/16/49/650331649.db2.gz QTIQNXHBUSNZAK-LSDHHAIUSA-N 1 1 399.285 2.224 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000456214875 650334292 /nfs/dbraw/zinc/33/42/92/650334292.db2.gz SXNNAORSFPQGMN-RMHZUWNSSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)[N@@H+]1CCO ZINC000456214875 650334293 /nfs/dbraw/zinc/33/42/93/650334293.db2.gz SXNNAORSFPQGMN-RMHZUWNSSA-N 1 1 381.314 2.466 20 0 GEADMO C[C@H](C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[NH+](C)CC1 ZINC000456274288 650335703 /nfs/dbraw/zinc/33/57/03/650335703.db2.gz JDJDRGXTIQQYOT-IAQYHMDHSA-N 1 1 384.293 2.328 20 0 GEADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[C@](C)(O)C2CC2)CC1 ZINC000456559870 650348446 /nfs/dbraw/zinc/34/84/46/650348446.db2.gz DWFAMZVDSYINFP-KRWDZBQOSA-N 1 1 397.317 2.086 20 0 GEADMO CO[C@@H](C)CCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456562206 650348521 /nfs/dbraw/zinc/34/85/21/650348521.db2.gz FYNINQWSCVUFFU-LBPRGKRZSA-N 1 1 385.306 2.350 20 0 GEADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000540063638 650348616 /nfs/dbraw/zinc/34/86/16/650348616.db2.gz XEMZFGGTZXDBFK-UHFFFAOYSA-N 1 1 384.267 2.186 20 0 GEADMO Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000500500568 650379883 /nfs/dbraw/zinc/37/98/83/650379883.db2.gz RIEAZEIIQLNGEC-INIZCTEOSA-N 1 1 385.961 2.439 20 0 GEADMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000501326449 650389834 /nfs/dbraw/zinc/38/98/34/650389834.db2.gz VSYZBQUCMSIBSC-CQSZACIVSA-N 1 1 380.432 2.488 20 0 GEADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000457958415 650390766 /nfs/dbraw/zinc/39/07/66/650390766.db2.gz WEEHZNSKMFKAQX-GXTWGEPZSA-N 1 1 377.432 2.061 20 0 GEADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000457958415 650390768 /nfs/dbraw/zinc/39/07/68/650390768.db2.gz WEEHZNSKMFKAQX-GXTWGEPZSA-N 1 1 377.432 2.061 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000501390895 650390893 /nfs/dbraw/zinc/39/08/93/650390893.db2.gz FYFPOQBRRQAUFE-MRXNPFEDSA-N 1 1 391.896 2.353 20 0 GEADMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(I)cc1Cl ZINC000501480495 650392743 /nfs/dbraw/zinc/39/27/43/650392743.db2.gz ORZPWVDJLHVAGX-QMMMGPOBSA-N 1 1 387.670 2.467 20 0 GEADMO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000458013745 650392802 /nfs/dbraw/zinc/39/28/02/650392802.db2.gz NNNGIPARVFNMBE-CVEARBPZSA-N 1 1 398.345 2.302 20 0 GEADMO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000501835898 650398151 /nfs/dbraw/zinc/39/81/51/650398151.db2.gz GRFUDCLZXHLGKU-CQSZACIVSA-N 1 1 396.329 2.113 20 0 GEADMO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000458379522 650401396 /nfs/dbraw/zinc/40/13/96/650401396.db2.gz GQJUZNMPBXOOQD-AWEZNQCLSA-N 1 1 398.345 2.302 20 0 GEADMO O=C(NCCc1ccc(Br)cc1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458384494 650401606 /nfs/dbraw/zinc/40/16/06/650401606.db2.gz AALPCESEEKKOOM-MRXNPFEDSA-N 1 1 384.318 2.138 20 0 GEADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000502683188 650409843 /nfs/dbraw/zinc/40/98/43/650409843.db2.gz XEJLKOXEPUCIDV-QWRGUYRKSA-N 1 1 376.320 2.280 20 0 GEADMO CC[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000458467332 650404073 /nfs/dbraw/zinc/40/40/73/650404073.db2.gz CVIVPJSGJGJGTM-WDEREUQCSA-N 1 1 380.436 2.321 20 0 GEADMO CC[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000458467332 650404077 /nfs/dbraw/zinc/40/40/77/650404077.db2.gz CVIVPJSGJGJGTM-WDEREUQCSA-N 1 1 380.436 2.321 20 0 GEADMO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458689685 650407908 /nfs/dbraw/zinc/40/79/08/650407908.db2.gz NRSAZHALKHZMFK-INIZCTEOSA-N 1 1 384.318 2.404 20 0 GEADMO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000502694914 650410035 /nfs/dbraw/zinc/41/00/35/650410035.db2.gz UHGPNUNDOBTHBP-ZDUSSCGKSA-N 1 1 375.893 2.426 20 0 GEADMO O=S1(=O)CCC(O)(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000502694914 650410038 /nfs/dbraw/zinc/41/00/38/650410038.db2.gz UHGPNUNDOBTHBP-ZDUSSCGKSA-N 1 1 375.893 2.426 20 0 GEADMO COC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000503217641 650416249 /nfs/dbraw/zinc/41/62/49/650416249.db2.gz OQKGLSXEQJTNES-SUYBPPKGSA-N 1 1 386.286 2.320 20 0 GEADMO O=C(NCC[N@H+]1CCCOCC1)N1CCc2cc(Br)cc(F)c21 ZINC000458843106 650411436 /nfs/dbraw/zinc/41/14/36/650411436.db2.gz MKVMVMCSHGYYRK-UHFFFAOYSA-N 1 1 386.265 2.383 20 0 GEADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000458891061 650413621 /nfs/dbraw/zinc/41/36/21/650413621.db2.gz UMJAAJCMRZOAOE-OAHLLOKOSA-N 1 1 390.709 2.011 20 0 GEADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000458947567 650415223 /nfs/dbraw/zinc/41/52/23/650415223.db2.gz TVGRWVAGWKGABF-MLGOLLRUSA-N 1 1 390.311 2.469 20 0 GEADMO O=C(NCCc1cccc(Br)c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000459156115 650420098 /nfs/dbraw/zinc/42/00/98/650420098.db2.gz WJQCVKUGFNQDDY-MRXNPFEDSA-N 1 1 384.318 2.138 20 0 GEADMO NC(=O)Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)nn1 ZINC000459393884 650423849 /nfs/dbraw/zinc/42/38/49/650423849.db2.gz GJVMRYGWKMSFPW-UHFFFAOYSA-N 1 1 378.274 2.085 20 0 GEADMO CCOc1cc(CNC2(CCO)CC[NH+](C)CC2)cc(Br)c1O ZINC000459486825 650425838 /nfs/dbraw/zinc/42/58/38/650425838.db2.gz XDAOMPVXKPUWTF-UHFFFAOYSA-N 1 1 387.318 2.490 20 0 GEADMO Cc1cc(I)ccc1NC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459546976 650428129 /nfs/dbraw/zinc/42/81/29/650428129.db2.gz JHAJKWQTRPDEDJ-UHFFFAOYSA-N 1 1 389.281 2.468 20 0 GEADMO COCC[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000505018478 650434353 /nfs/dbraw/zinc/43/43/53/650434353.db2.gz KUMZDFRDMUUBQL-NVXWUHKLSA-N 1 1 390.311 2.437 20 0 GEADMO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000459929685 650435491 /nfs/dbraw/zinc/43/54/91/650435491.db2.gz RMYFLMWSCCHYAJ-MRXNPFEDSA-N 1 1 396.329 2.206 20 0 GEADMO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000459929685 650435493 /nfs/dbraw/zinc/43/54/93/650435493.db2.gz RMYFLMWSCCHYAJ-MRXNPFEDSA-N 1 1 396.329 2.206 20 0 GEADMO C[N@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000460261955 650440923 /nfs/dbraw/zinc/44/09/23/650440923.db2.gz ZHZOMHFIMWBSOA-KRWDZBQOSA-N 1 1 384.318 2.093 20 0 GEADMO CC[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)Cc1cccc(Br)c1 ZINC000460272567 650441283 /nfs/dbraw/zinc/44/12/83/650441283.db2.gz ZDXYQKKIHYNFRH-KBXCAEBGSA-N 1 1 398.345 2.384 20 0 GEADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000506012513 650442715 /nfs/dbraw/zinc/44/27/15/650442715.db2.gz NYLJUEZQRLCNKZ-AWEZNQCLSA-N 1 1 395.301 2.183 20 0 GEADMO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1F ZINC000461092782 650449221 /nfs/dbraw/zinc/44/92/21/650449221.db2.gz YOCMOOVQDCGINO-XUJVJEKNSA-N 1 1 390.908 2.459 20 0 GEADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000461638679 650457945 /nfs/dbraw/zinc/45/79/45/650457945.db2.gz XXZQDZHDOWFXOV-KBPBESRZSA-N 1 1 389.949 2.243 20 0 GEADMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)cc2O)CCCO1 ZINC000507565756 650462999 /nfs/dbraw/zinc/46/29/99/650462999.db2.gz JZOCNCXZZHCWLJ-CYBMUJFWSA-N 1 1 385.302 2.314 20 0 GEADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000507931681 650469964 /nfs/dbraw/zinc/46/99/64/650469964.db2.gz XHYIAMHUURBCCA-UHFFFAOYSA-N 1 1 394.317 2.403 20 0 GEADMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000462346044 650476620 /nfs/dbraw/zinc/47/66/20/650476620.db2.gz BQTCMSFSGKLFJU-CABCVRRESA-N 1 1 385.302 2.212 20 0 GEADMO C[N@@H+](CCNS(=O)(=O)c1ccc(Br)cn1)C1CCCCC1 ZINC000462534355 650483162 /nfs/dbraw/zinc/48/31/62/650483162.db2.gz DVINNBXUQGHQLU-UHFFFAOYSA-N 1 1 376.320 2.387 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000508875474 650484226 /nfs/dbraw/zinc/48/42/26/650484226.db2.gz ADDFGXMUGDALFG-JTQLQIEISA-N 1 1 381.281 2.153 20 0 GEADMO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000508875474 650484227 /nfs/dbraw/zinc/48/42/27/650484227.db2.gz ADDFGXMUGDALFG-JTQLQIEISA-N 1 1 381.281 2.153 20 0 GEADMO CSc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000509205132 650489953 /nfs/dbraw/zinc/48/99/53/650489953.db2.gz ZZONBRCJEAMRIU-CRAIPNDOSA-N 1 1 383.583 2.055 20 0 GEADMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412747 650495092 /nfs/dbraw/zinc/49/50/92/650495092.db2.gz JEBIVQKDRWKKDQ-OAHLLOKOSA-N 1 1 382.346 2.476 20 0 GEADMO C[C@@H]1CN(C(=O)COc2ccc(I)cc2)[C@@H](C)C[N@H+]1C ZINC000509639555 650498141 /nfs/dbraw/zinc/49/81/41/650498141.db2.gz KRYNRXBSZHHMBG-NEPJUHHUSA-N 1 1 388.249 2.221 20 0 GEADMO C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@H+]1C ZINC000465704756 650498820 /nfs/dbraw/zinc/49/88/20/650498820.db2.gz KJZAKDYOCPYJBN-AAEUAGOBSA-N 1 1 380.290 2.379 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)CC[N@H+]1C ZINC000465704757 650498909 /nfs/dbraw/zinc/49/89/09/650498909.db2.gz KJZAKDYOCPYJBN-DGCLKSJQSA-N 1 1 380.290 2.379 20 0 GEADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCCO2)cc1Br ZINC000467122402 650503109 /nfs/dbraw/zinc/50/31/09/650503109.db2.gz MUOZXNGPMVAXRL-CQSZACIVSA-N 1 1 398.301 2.135 20 0 GEADMO CCn1nccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000509971374 650504808 /nfs/dbraw/zinc/50/48/08/650504808.db2.gz LQPZZKAMNFENRN-UHFFFAOYSA-N 1 1 394.273 2.304 20 0 GEADMO C[C@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)N1CC[NH+](C)CC1 ZINC000469498621 650510724 /nfs/dbraw/zinc/51/07/24/650510724.db2.gz ZGIRZBLAVKCCNZ-CYBMUJFWSA-N 1 1 383.334 2.085 20 0 GEADMO C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCCOC1 ZINC000510104006 650506816 /nfs/dbraw/zinc/50/68/16/650506816.db2.gz WJVXTDFDBMNELW-CQSZACIVSA-N 1 1 387.311 2.148 20 0 GEADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000510205437 650508556 /nfs/dbraw/zinc/50/85/56/650508556.db2.gz DLYMUXLJVHOPSD-AWEZNQCLSA-N 1 1 398.301 2.083 20 0 GEADMO C[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1I ZINC000469407731 650509807 /nfs/dbraw/zinc/50/98/07/650509807.db2.gz JFJVVBJSBKXXAS-LBPRGKRZSA-N 1 1 388.249 2.223 20 0 GEADMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCOc1ccccc1I ZINC000469407731 650509809 /nfs/dbraw/zinc/50/98/09/650509809.db2.gz JFJVVBJSBKXXAS-LBPRGKRZSA-N 1 1 388.249 2.223 20 0 GEADMO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+](CC)CCO ZINC000470279433 650512477 /nfs/dbraw/zinc/51/24/77/650512477.db2.gz KSUJXYGPEVHETP-HNNXBMFYSA-N 1 1 386.334 2.384 20 0 GEADMO COc1ccc(NC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000470349345 650513491 /nfs/dbraw/zinc/51/34/91/650513491.db2.gz HQPBBPYBRUASHS-GFCCVEGCSA-N 1 1 386.290 2.378 20 0 GEADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000511059891 650524793 /nfs/dbraw/zinc/52/47/93/650524793.db2.gz PIUIVHYHYKAQLQ-OAHLLOKOSA-N 1 1 380.432 2.484 20 0 GEADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000511059891 650524799 /nfs/dbraw/zinc/52/47/99/650524799.db2.gz PIUIVHYHYKAQLQ-OAHLLOKOSA-N 1 1 380.432 2.484 20 0 GEADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000511059479 650524808 /nfs/dbraw/zinc/52/48/08/650524808.db2.gz MJRWRUCARRLSGY-CYBMUJFWSA-N 1 1 380.432 2.440 20 0 GEADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000511059479 650524809 /nfs/dbraw/zinc/52/48/09/650524809.db2.gz MJRWRUCARRLSGY-CYBMUJFWSA-N 1 1 380.432 2.440 20 0 GEADMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927559 650521177 /nfs/dbraw/zinc/52/11/77/650521177.db2.gz IBYONMMWBXNQLZ-JMSVASOKSA-N 1 1 377.913 2.076 20 0 GEADMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510927559 650521178 /nfs/dbraw/zinc/52/11/78/650521178.db2.gz IBYONMMWBXNQLZ-JMSVASOKSA-N 1 1 377.913 2.076 20 0 GEADMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000511081111 650525601 /nfs/dbraw/zinc/52/56/01/650525601.db2.gz MCIUFIRUUPAPQD-HNNXBMFYSA-N 1 1 380.432 2.440 20 0 GEADMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000511081111 650525603 /nfs/dbraw/zinc/52/56/03/650525603.db2.gz MCIUFIRUUPAPQD-HNNXBMFYSA-N 1 1 380.432 2.440 20 0 GEADMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)sc2c1 ZINC000511126270 650527398 /nfs/dbraw/zinc/52/73/98/650527398.db2.gz OPMRNUVYSOHWOM-ZDUSSCGKSA-N 1 1 383.539 2.408 20 0 GEADMO COc1ccc2nc(C[N@H+]3CCC[C@@H](CN(C)S(C)(=O)=O)C3)sc2c1 ZINC000511126270 650527402 /nfs/dbraw/zinc/52/74/02/650527402.db2.gz OPMRNUVYSOHWOM-ZDUSSCGKSA-N 1 1 383.539 2.408 20 0 GEADMO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000474102495 650527622 /nfs/dbraw/zinc/52/76/22/650527622.db2.gz FOBXQWMEWGUYHG-WDEREUQCSA-N 1 1 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650731111 /nfs/dbraw/zinc/73/11/11/650731111.db2.gz MYJCAOGFXIMABY-NSHDSACASA-N 1 1 398.301 2.163 20 0 GEADMO Cn1cc(Br)cc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1=O ZINC000530960624 650732002 /nfs/dbraw/zinc/73/20/02/650732002.db2.gz LTFARXGPUFOQOS-UHFFFAOYSA-N 1 1 385.306 2.486 20 0 GEADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000487548147 650735379 /nfs/dbraw/zinc/73/53/79/650735379.db2.gz BDLUSRLXASEABT-GXFFZTMASA-N 1 1 379.258 2.313 20 0 GEADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000487572828 650735909 /nfs/dbraw/zinc/73/59/09/650735909.db2.gz MGTWVYWLLGARCD-MFKMUULPSA-N 1 1 379.258 2.313 20 0 GEADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O ZINC000531389022 650738017 /nfs/dbraw/zinc/73/80/17/650738017.db2.gz REWHHEHAHOZTBT-HNNXBMFYSA-N 1 1 393.285 2.197 20 0 GEADMO Cc1ccc(S[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000531570278 650741390 /nfs/dbraw/zinc/74/13/90/650741390.db2.gz KHBIYNWKUZFKJO-JKSUJKDBSA-N 1 1 384.567 2.053 20 0 GEADMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000008309843 642350772 /nfs/dbraw/zinc/35/07/72/642350772.db2.gz BBRRBAPAKUBTDT-UHFFFAOYSA-N 1 1 381.523 2.377 20 0 GEADMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000008309843 642350779 /nfs/dbraw/zinc/35/07/79/642350779.db2.gz BBRRBAPAKUBTDT-UHFFFAOYSA-N 1 1 381.523 2.377 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000014930143 642377862 /nfs/dbraw/zinc/37/78/62/642377862.db2.gz YFKQSTOEWRAQIF-LBPRGKRZSA-N 1 1 381.885 2.446 20 0 GEADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000014930143 642377866 /nfs/dbraw/zinc/37/78/66/642377866.db2.gz YFKQSTOEWRAQIF-LBPRGKRZSA-N 1 1 381.885 2.446 20 0 GEADMO COc1cc(Br)ccc1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000488550028 650747923 /nfs/dbraw/zinc/74/79/23/650747923.db2.gz YERSOCQSWZIZLV-UHFFFAOYSA-N 1 1 396.289 2.257 20 0 GEADMO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000532479376 650748394 /nfs/dbraw/zinc/74/83/94/650748394.db2.gz BQJDCORMBWWGIA-CJNGLKHVSA-N 1 1 384.318 2.213 20 0 GEADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)CN1CCCC1 ZINC000532479376 650748402 /nfs/dbraw/zinc/74/84/02/650748402.db2.gz BQJDCORMBWWGIA-CJNGLKHVSA-N 1 1 384.318 2.213 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000488610870 650749074 /nfs/dbraw/zinc/74/90/74/650749074.db2.gz RVKMOYYXEGQLOC-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000488610870 650749077 /nfs/dbraw/zinc/74/90/77/650749077.db2.gz RVKMOYYXEGQLOC-HNNXBMFYSA-N 1 1 382.302 2.495 20 0 GEADMO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026465847 642432991 /nfs/dbraw/zinc/43/29/91/642432991.db2.gz OZVLIJXQMKODFQ-CYBMUJFWSA-N 1 1 387.267 2.242 20 0 GEADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000026465847 642432995 /nfs/dbraw/zinc/43/29/95/642432995.db2.gz OZVLIJXQMKODFQ-CYBMUJFWSA-N 1 1 387.267 2.242 20 0 GEADMO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000489032456 650754104 /nfs/dbraw/zinc/75/41/04/650754104.db2.gz AOGVDISHDCNKJZ-ABAIWWIYSA-N 1 1 386.265 2.158 20 0 GEADMO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1C1CC1)c1ccccc1Cl ZINC000029051449 642457291 /nfs/dbraw/zinc/45/72/91/642457291.db2.gz UHYATYNWYCPNEE-AWEZNQCLSA-N 1 1 380.905 2.173 20 0 GEADMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000029673042 642466550 /nfs/dbraw/zinc/46/65/50/642466550.db2.gz AQFLVEAOBNIYRW-UHFFFAOYSA-N 1 1 387.311 2.076 20 0 GEADMO CCC[N@@H+](CCC(=O)NC(=O)NC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000029973337 642472626 /nfs/dbraw/zinc/47/26/26/642472626.db2.gz JQKRZAWAAXZQEW-UHFFFAOYSA-N 1 1 389.283 2.490 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000489276051 650756858 /nfs/dbraw/zinc/75/68/58/650756858.db2.gz IKWYRXYWZREKTG-NEPJUHHUSA-N 1 1 388.281 2.185 20 0 GEADMO CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000489331060 650757697 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C[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000416498486 648150025 /nfs/dbraw/zinc/15/00/25/648150025.db2.gz XOWTZJUGMPQIJE-LLVKDONJSA-N 1 1 384.299 2.227 20 0 GEADMO COc1cc(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000416559965 648171674 /nfs/dbraw/zinc/17/16/74/648171674.db2.gz RKFCUQONFDJZJP-LBPRGKRZSA-N 1 1 376.906 2.367 20 0 GEADMO COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+](C)C1 ZINC000416778004 648212201 /nfs/dbraw/zinc/21/22/01/648212201.db2.gz XHKFTHJNDHCUBW-SNVBAGLBSA-N 1 1 388.237 2.157 20 0 GEADMO COc1cc(Br)cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000416949690 648218362 /nfs/dbraw/zinc/21/83/62/648218362.db2.gz LMKILRWIOVVNFQ-VXGBXAGGSA-N 1 1 386.290 2.377 20 0 GEADMO COc1cc(Br)cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000416949690 648218363 /nfs/dbraw/zinc/21/83/63/648218363.db2.gz LMKILRWIOVVNFQ-VXGBXAGGSA-N 1 1 386.290 2.377 20 0 GEADMO Cc1csc([C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C(F)(F)F)n1 ZINC000417175442 648228593 /nfs/dbraw/zinc/22/85/93/648228593.db2.gz JMZGTTQCGQGTQN-UTUOFQBUSA-N 1 1 380.436 2.151 20 0 GEADMO O=C(NCC[C@H]1CC[NH2+]C1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417718816 648258571 /nfs/dbraw/zinc/25/85/71/648258571.db2.gz CATFTGIHXYPVEH-LLVKDONJSA-N 1 1 393.289 2.033 20 0 GEADMO O=C(NCC[C@H]1CC[NH2+]C1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417718816 648258573 /nfs/dbraw/zinc/25/85/73/648258573.db2.gz CATFTGIHXYPVEH-LLVKDONJSA-N 1 1 393.289 2.033 20 0 GEADMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000417721097 648259281 /nfs/dbraw/zinc/25/92/81/648259281.db2.gz FKPNYKPFDSGAAU-GWCFXTLKSA-N 1 1 393.289 2.031 20 0 GEADMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000417721097 648259284 /nfs/dbraw/zinc/25/92/84/648259284.db2.gz FKPNYKPFDSGAAU-GWCFXTLKSA-N 1 1 393.289 2.031 20 0 GEADMO C[NH2+][C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000417739696 648261012 /nfs/dbraw/zinc/26/10/12/648261012.db2.gz WZGNWJFLSDSUPU-CYBMUJFWSA-N 1 1 393.289 2.128 20 0 GEADMO C[NH2+][C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000417739696 648261016 /nfs/dbraw/zinc/26/10/16/648261016.db2.gz WZGNWJFLSDSUPU-CYBMUJFWSA-N 1 1 393.289 2.128 20 0 GEADMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000418094501 648279168 /nfs/dbraw/zinc/27/91/68/648279168.db2.gz UTNVFEFLLVESMA-NSHDSACASA-N 1 1 376.213 2.340 20 0 GEADMO COCCN(Cc1cc(Br)cs1)C(=O)NCC(F)(F)C[NH3+] ZINC000418530383 648300518 /nfs/dbraw/zinc/30/05/18/648300518.db2.gz ZHKKTLUOGNUTJU-UHFFFAOYSA-N 1 1 386.262 2.263 20 0 GEADMO CC[C@H](C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)OC ZINC000419212356 648342297 /nfs/dbraw/zinc/34/22/97/648342297.db2.gz ZTTASZYJNNHUFG-OAHLLOKOSA-N 1 1 385.302 2.397 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc2c(cc1Br)OCCO2 ZINC000419328445 648347458 /nfs/dbraw/zinc/34/74/58/648347458.db2.gz OUSIGXTXRFLKDD-QWHCGFSZSA-N 1 1 385.302 2.107 20 0 GEADMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000419346471 648348934 /nfs/dbraw/zinc/34/89/34/648348934.db2.gz NNPMMQQWBCGGBT-CQSZACIVSA-N 1 1 375.252 2.126 20 0 GEADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000419346471 648348940 /nfs/dbraw/zinc/34/89/40/648348940.db2.gz NNPMMQQWBCGGBT-CQSZACIVSA-N 1 1 375.252 2.126 20 0 GEADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1cc(Br)cs1 ZINC000419425060 648352275 /nfs/dbraw/zinc/35/22/75/648352275.db2.gz DOXBLPWMSAGSKP-QWRGUYRKSA-N 1 1 376.320 2.107 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(Br)c(F)c1 ZINC000419451832 648353245 /nfs/dbraw/zinc/35/32/45/648353245.db2.gz VPJIACVGJLDJST-NWDGAFQWSA-N 1 1 388.281 2.185 20 0 GEADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1ccsc1Br ZINC000419506078 648355174 /nfs/dbraw/zinc/35/51/74/648355174.db2.gz MNWNCRMWOQCTNH-GHMZBOCLSA-N 1 1 376.320 2.107 20 0 GEADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420150540 648406121 /nfs/dbraw/zinc/40/61/21/648406121.db2.gz KUGXXMNCRWAJTO-GFCCVEGCSA-N 1 1 380.222 2.367 20 0 GEADMO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H](CN)C(C)(C)C ZINC000420363652 648414090 /nfs/dbraw/zinc/41/40/90/648414090.db2.gz OFIGEXJMHLLKAI-OAHLLOKOSA-N 1 1 386.334 2.249 20 0 GEADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H]2Cc2ccccc2Br)C1=O ZINC000420957375 648458993 /nfs/dbraw/zinc/45/89/93/648458993.db2.gz BLFYVPXPKBQTSV-JSGCOSHPSA-N 1 1 380.286 2.396 20 0 GEADMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Br)NC(=O)NC1CC1 ZINC000420982325 648461231 /nfs/dbraw/zinc/46/12/31/648461231.db2.gz ZOCRXVGHHPIWFT-CQSZACIVSA-N 1 1 380.286 2.444 20 0 GEADMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)NC(=O)NC1CC1 ZINC000420982325 648461234 /nfs/dbraw/zinc/46/12/34/648461234.db2.gz ZOCRXVGHHPIWFT-CQSZACIVSA-N 1 1 380.286 2.444 20 0 GEADMO CN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421000741 648461753 /nfs/dbraw/zinc/46/17/53/648461753.db2.gz KFZVYSCGPKZAEI-AWEZNQCLSA-N 1 1 375.332 2.249 20 0 GEADMO CN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H]1CCC[N@H+]1C ZINC000421000741 648461762 /nfs/dbraw/zinc/46/17/62/648461762.db2.gz KFZVYSCGPKZAEI-AWEZNQCLSA-N 1 1 375.332 2.249 20 0 GEADMO CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421034127 648462371 /nfs/dbraw/zinc/46/23/71/648462371.db2.gz GRKRJCLJYKLPMT-OAHLLOKOSA-N 1 1 375.332 2.395 20 0 GEADMO CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421034127 648462376 /nfs/dbraw/zinc/46/23/76/648462376.db2.gz GRKRJCLJYKLPMT-OAHLLOKOSA-N 1 1 375.332 2.395 20 0 GEADMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000421032156 648462652 /nfs/dbraw/zinc/46/26/52/648462652.db2.gz YSPOGCCAEKJFCR-UKRRQHHQSA-N 1 1 385.302 2.132 20 0 GEADMO O=C1CNC(=O)N1CC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421043956 648463187 /nfs/dbraw/zinc/46/31/87/648463187.db2.gz RQSJSYBCLJTFBH-OAHLLOKOSA-N 1 1 380.286 2.398 20 0 GEADMO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421292097 648484224 /nfs/dbraw/zinc/48/42/24/648484224.db2.gz AAQKLJYKTUFVFP-ZDUSSCGKSA-N 1 1 398.301 2.339 20 0 GEADMO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1F ZINC000421304169 648487123 /nfs/dbraw/zinc/48/71/23/648487123.db2.gz SZRVJQJSMCCENW-NSHDSACASA-N 1 1 386.265 2.388 20 0 GEADMO Cc1cc(CNC(=O)c2ccc(S(C)(=O)=O)s2)cc(N2CCCC2)[nH+]1 ZINC000421554324 648496978 /nfs/dbraw/zinc/49/69/78/648496978.db2.gz KDTLUNQXDQTGLE-UHFFFAOYSA-N 1 1 379.507 2.385 20 0 GEADMO CN(CC(=O)N(C)C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(Br)s1 ZINC000421704342 648505518 /nfs/dbraw/zinc/50/55/18/648505518.db2.gz OKUIJALIMSITBB-LLVKDONJSA-N 1 1 388.331 2.135 20 0 GEADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1cccc(I)c1 ZINC000421709307 648505916 /nfs/dbraw/zinc/50/59/16/648505916.db2.gz DMVBGGMPBMMSID-CYBMUJFWSA-N 1 1 388.249 2.223 20 0 GEADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422088487 648520994 /nfs/dbraw/zinc/52/09/94/648520994.db2.gz HIWFFPDJTIGUMC-LBPRGKRZSA-N 1 1 388.331 2.068 20 0 GEADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000422272143 648531579 /nfs/dbraw/zinc/53/15/79/648531579.db2.gz RPDCZIIISXFJPY-ILXRZTDVSA-N 1 1 381.567 2.087 20 0 GEADMO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422487320 648550879 /nfs/dbraw/zinc/55/08/79/648550879.db2.gz JXGQSXCHNDLFGI-AWEZNQCLSA-N 1 1 396.329 2.256 20 0 GEADMO COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422908553 648576791 /nfs/dbraw/zinc/57/67/91/648576791.db2.gz MWZPAEVMOXZFFN-LRDDRELGSA-N 1 1 384.318 2.308 20 0 GEADMO O=C(Cc1ccc(F)c(Br)c1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423952114 648605033 /nfs/dbraw/zinc/60/50/33/648605033.db2.gz PJUAFWOPMQGOOM-UHFFFAOYSA-N 1 1 398.320 2.463 20 0 GEADMO CN(CC[NH+](C)C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424710229 648641053 /nfs/dbraw/zinc/64/10/53/648641053.db2.gz PNGUZCJBIDJKQT-UHFFFAOYSA-N 1 1 391.331 2.023 20 0 GEADMO O=C(Cc1noc2ccc(Br)cc21)NC[C@H]1CCCC[N@@H+]1CCO ZINC000424860118 648654038 /nfs/dbraw/zinc/65/40/38/648654038.db2.gz DMKHYUAEOMOYLP-CYBMUJFWSA-N 1 1 396.285 2.096 20 0 GEADMO COCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000424997138 648660343 /nfs/dbraw/zinc/66/03/43/648660343.db2.gz FTJZTBZODOHDRB-UHFFFAOYSA-N 1 1 385.306 2.232 20 0 GEADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)CC(=O)NCC(F)(F)F)sc2C1 ZINC000425044755 648662268 /nfs/dbraw/zinc/66/22/68/648662268.db2.gz RYKXBBMUJABQSB-UHFFFAOYSA-N 1 1 378.420 2.307 20 0 GEADMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccccc3I)[C@@H]2C1 ZINC000425060099 648663109 /nfs/dbraw/zinc/66/31/09/648663109.db2.gz UKAANODDMPYKDV-DZGCQCFKSA-N 1 1 384.261 2.386 20 0 GEADMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000425154059 648665200 /nfs/dbraw/zinc/66/52/00/648665200.db2.gz GRGXQBJBJDVBEX-OAHLLOKOSA-N 1 1 386.945 2.397 20 0 GEADMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000425154059 648665204 /nfs/dbraw/zinc/66/52/04/648665204.db2.gz GRGXQBJBJDVBEX-OAHLLOKOSA-N 1 1 386.945 2.397 20 0 GEADMO COCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCCSC1 ZINC000425490895 648680617 /nfs/dbraw/zinc/68/06/17/648680617.db2.gz ZMPGUEWGVHDKEE-ZDUSSCGKSA-N 1 1 378.585 2.342 20 0 GEADMO COCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCCSC1 ZINC000425490895 648680632 /nfs/dbraw/zinc/68/06/32/648680632.db2.gz ZMPGUEWGVHDKEE-ZDUSSCGKSA-N 1 1 378.585 2.342 20 0 GEADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000425510486 648682706 /nfs/dbraw/zinc/68/27/06/648682706.db2.gz MLJMVBWLETUZMA-JKSUJKDBSA-N 1 1 395.297 2.260 20 0 GEADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1OCCCO ZINC000428594026 648740019 /nfs/dbraw/zinc/74/00/19/648740019.db2.gz CCTHAPQRTNHFKU-WFASDCNBSA-N 1 1 385.302 2.482 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nnc(SC)s2)[C@@H](C)C1 ZINC000429154697 648747096 /nfs/dbraw/zinc/74/70/96/648747096.db2.gz HKFNSSLBJFEQNB-STQMWFEESA-N 1 1 387.575 2.196 20 0 GEADMO CC(C)[C@](C)(CN)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000430550477 648763406 /nfs/dbraw/zinc/76/34/06/648763406.db2.gz GKIIMADGGCFJKG-AWEZNQCLSA-N 1 1 375.254 2.193 20 0 GEADMO COc1ccccc1[C@H](CNC(=O)c1nn(C)cc1Br)[NH+](C)C ZINC000432039080 648773756 /nfs/dbraw/zinc/77/37/56/648773756.db2.gz UUYDUYBJUDCASZ-ZDUSSCGKSA-N 1 1 381.274 2.224 20 0 GEADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2nc(C)c(C)s2)[C@@H](C)C1 ZINC000435208027 648782882 /nfs/dbraw/zinc/78/28/82/648782882.db2.gz OZOUGDMCFFPPPJ-WFASDCNBSA-N 1 1 375.560 2.175 20 0 GEADMO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000435986434 648791180 /nfs/dbraw/zinc/79/11/80/648791180.db2.gz AANOBTHCHZACFV-CKEIUWERSA-N 1 1 396.304 2.340 20 0 GEADMO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000435986435 648791270 /nfs/dbraw/zinc/79/12/70/648791270.db2.gz AANOBTHCHZACFV-ZQIUZPCESA-N 1 1 396.304 2.340 20 0 GEADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000436980771 648800573 /nfs/dbraw/zinc/80/05/73/648800573.db2.gz RSHDCFNZQJEKPX-NSHDSACASA-N 1 1 382.873 2.107 20 0 GEADMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000440834630 648815483 /nfs/dbraw/zinc/81/54/83/648815483.db2.gz RTFDYLNLWSNATQ-VIFPVBQESA-N 1 1 383.258 2.490 20 0 GEADMO COC(=O)C[C@H](NC(=O)NCC[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000441021931 648818433 /nfs/dbraw/zinc/81/84/33/648818433.db2.gz QEFBOXTYOXTYBE-HNNXBMFYSA-N 1 1 385.917 2.292 20 0 GEADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(Br)ccc2F)C[C@H]1C ZINC000441080905 648819427 /nfs/dbraw/zinc/81/94/27/648819427.db2.gz QPKCYIMVRRPYNS-MNOVXSKESA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(Br)ccc2F)C[C@H]1C ZINC000441080905 648819428 /nfs/dbraw/zinc/81/94/28/648819428.db2.gz QPKCYIMVRRPYNS-MNOVXSKESA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000441120410 648820930 /nfs/dbraw/zinc/82/09/30/648820930.db2.gz WOJBDARYJDXEKM-WDEREUQCSA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000441120410 648820931 /nfs/dbraw/zinc/82/09/31/648820931.db2.gz WOJBDARYJDXEKM-WDEREUQCSA-N 1 1 386.265 2.468 20 0 GEADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000441121320 648820993 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O=c1c(Br)nn(C[N@@H+]2CCCC[C@H]2C2OCCO2)c2ccccc12 ZINC000755744686 652474818 /nfs/dbraw/zinc/47/48/18/652474818.db2.gz JDVYUKZHXWPNDW-AWEZNQCLSA-N 1 1 394.269 2.344 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CCCC[C@H]2C2OCCO2)c2ccccc12 ZINC000755744686 652474821 /nfs/dbraw/zinc/47/48/21/652474821.db2.gz JDVYUKZHXWPNDW-AWEZNQCLSA-N 1 1 394.269 2.344 20 0 GEADMO O=c1c(Br)nn(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c2ccccc12 ZINC000755744687 652474921 /nfs/dbraw/zinc/47/49/21/652474921.db2.gz JDVYUKZHXWPNDW-CQSZACIVSA-N 1 1 394.269 2.344 20 0 GEADMO O=c1c(Br)nn(C[N@H+]2CCCC[C@@H]2C2OCCO2)c2ccccc12 ZINC000755744687 652474925 /nfs/dbraw/zinc/47/49/25/652474925.db2.gz JDVYUKZHXWPNDW-CQSZACIVSA-N 1 1 394.269 2.344 20 0 GEADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCOc1cccc(Cl)c1Cl ZINC000583174866 652475031 /nfs/dbraw/zinc/47/50/31/652475031.db2.gz LGCOPUCMVFCKJL-UHFFFAOYSA-N 1 1 393.296 2.013 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000583203866 652476849 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CCn1nccc1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000663472055 652501273 /nfs/dbraw/zinc/50/12/73/652501273.db2.gz WQJICAHAIOWNTM-JTQLQIEISA-N 1 1 387.303 2.164 20 0 GEADMO O[C@@H](C[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1)CC1(O)CCOCC1 ZINC000630050747 652501734 /nfs/dbraw/zinc/50/17/34/652501734.db2.gz NMKCVEVXFYGCKS-OAHLLOKOSA-N 1 1 389.323 2.408 20 0 GEADMO Cc1ccc(C[C@H](CO)CNC(=O)C[NH+]2CC(C)(C)C2)cc1Br ZINC000584004462 652505496 /nfs/dbraw/zinc/50/54/96/652505496.db2.gz LSCPZMXOBAJLOJ-HNNXBMFYSA-N 1 1 383.330 2.367 20 0 GEADMO [NH3+]CC(F)(F)CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000584060417 652507847 /nfs/dbraw/zinc/50/78/47/652507847.db2.gz DANMZAYHIVAFSZ-UHFFFAOYSA-N 1 1 375.173 2.099 20 0 GEADMO CCC[N@@H+](CC(=O)OCC)Cn1nc(Br)c(=O)c2ccccc21 ZINC000756908356 652508496 /nfs/dbraw/zinc/50/84/96/652508496.db2.gz FFOJHAMNHAOELU-UHFFFAOYSA-N 1 1 382.258 2.392 20 0 GEADMO CCC[N@H+](CC(=O)OCC)Cn1nc(Br)c(=O)c2ccccc21 ZINC000756908356 652508498 /nfs/dbraw/zinc/50/84/98/652508498.db2.gz 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C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000669657586 652711532 /nfs/dbraw/zinc/71/15/32/652711532.db2.gz IETREYGHBAWAAD-GLQYFDAESA-N 1 1 398.301 2.291 20 0 GEADMO C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1C[N@H+](C)CCO1 ZINC000669657587 652711653 /nfs/dbraw/zinc/71/16/53/652711653.db2.gz IETREYGHBAWAAD-NILFDRSVSA-N 1 1 398.301 2.291 20 0 GEADMO C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000669657587 652711657 /nfs/dbraw/zinc/71/16/57/652711657.db2.gz IETREYGHBAWAAD-NILFDRSVSA-N 1 1 398.301 2.291 20 0 GEADMO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595260226 652711917 /nfs/dbraw/zinc/71/19/17/652711917.db2.gz XTFKGINDMKKYRH-ZJUUUORDSA-N 1 1 384.221 2.494 20 0 GEADMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000669692843 652714138 /nfs/dbraw/zinc/71/41/38/652714138.db2.gz GWKXQTDRZMPMBL-RDBSUJKOSA-N 1 1 377.312 2.120 20 0 GEADMO COC(=O)[C@H](c1ccccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595388672 652718596 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ZINC000919998676 654198644 /nfs/dbraw/zinc/19/86/44/654198644.db2.gz BAYROEVKFJERHX-RISCZKNCSA-N 1 1 387.958 2.467 20 0 GEADMO NC(=O)[C@@](O)(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000851884782 654200228 /nfs/dbraw/zinc/20/02/28/654200228.db2.gz BUYCUVRUNIZBSW-GOSISDBHSA-N 1 1 383.275 2.161 20 0 GEADMO C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000870878700 654202454 /nfs/dbraw/zinc/20/24/54/654202454.db2.gz PVUCADOMRQKIHY-XUJVJEKNSA-N 1 1 382.302 2.355 20 0 GEADMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870889736 654205110 /nfs/dbraw/zinc/20/51/10/654205110.db2.gz ASGBLZGBYLILLD-LRDDRELGSA-N 1 1 382.302 2.300 20 0 GEADMO N[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870890622 654205176 /nfs/dbraw/zinc/20/51/76/654205176.db2.gz VHQZCRQBCHJSMY-DYVFJYSZSA-N 1 1 396.329 2.066 20 0 GEADMO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000920272963 654207522 /nfs/dbraw/zinc/20/75/22/654207522.db2.gz ADIVRSRIKRAFTM-LMSBXDPUSA-N 1 1 386.945 2.406 20 0 GEADMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1c(F)cccc1Cl)C2 ZINC000920273891 654207990 /nfs/dbraw/zinc/20/79/90/654207990.db2.gz LCABRBFIGUCAJQ-JHNDHUHGSA-N 1 1 390.908 2.237 20 0 GEADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[C@H](F)C2)c1 ZINC000903003810 654208457 /nfs/dbraw/zinc/20/84/57/654208457.db2.gz RPILYKGSZOVIPW-LBPRGKRZSA-N 1 1 391.896 2.353 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC000920281801 654208421 /nfs/dbraw/zinc/20/84/21/654208421.db2.gz HIBNPTAPJXQBGS-MUIFIZLQSA-N 1 1 390.908 2.237 20 0 GEADMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000920282574 654209062 /nfs/dbraw/zinc/20/90/62/654209062.db2.gz RRCOLMQSMICTFF-MUIFIZLQSA-N 1 1 390.908 2.237 20 0 GEADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NCC1SCCS1 ZINC000851983536 654210745 /nfs/dbraw/zinc/21/07/45/654210745.db2.gz ZPTPXVVURSEQRA-UHFFFAOYSA-N 1 1 384.546 2.053 20 0 GEADMO CO[C@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)[C@@H]1CCOC1 ZINC000852006489 654212241 /nfs/dbraw/zinc/21/22/41/654212241.db2.gz OQJVYJKFVVZJSU-VXGBXAGGSA-N 1 1 391.331 2.241 20 0 GEADMO Brc1ncn(CCN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000852014094 654212775 /nfs/dbraw/zinc/21/27/75/654212775.db2.gz BEZTVEMYNIZKSN-ZDUSSCGKSA-N 1 1 379.306 2.453 20 0 GEADMO O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000852062746 654215927 /nfs/dbraw/zinc/21/59/27/654215927.db2.gz AAPITRFYPHVZCU-WOSRLPQWSA-N 1 1 388.295 2.189 20 0 GEADMO Cc1cc(Br)c(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000852063856 654215993 /nfs/dbraw/zinc/21/59/93/654215993.db2.gz SPHCFKUZRMVBJD-NEPJUHHUSA-N 1 1 388.331 2.481 20 0 GEADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000852090362 654217275 /nfs/dbraw/zinc/21/72/75/654217275.db2.gz ZNNQPLQRRPDEAG-SHZVTRLKSA-N 1 1 385.496 2.497 20 0 GEADMO C[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000852088929 654217295 /nfs/dbraw/zinc/21/72/95/654217295.db2.gz IYAPWIJJDBUDAM-CANCMXDXSA-N 1 1 379.448 2.117 20 0 GEADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903117802 654217679 /nfs/dbraw/zinc/21/76/79/654217679.db2.gz GIXRRBDADWGCPZ-QWRGUYRKSA-N 1 1 387.445 2.454 20 0 GEADMO C[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)[N@H+]1CCC[C@H](C)C1 ZINC000852091965 654217731 /nfs/dbraw/zinc/21/77/31/654217731.db2.gz OELQJZJUGMXYJG-QWHCGFSZSA-N 1 1 384.322 2.291 20 0 GEADMO CCOP(=O)(OCC)[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000852112412 654218493 /nfs/dbraw/zinc/21/84/93/654218493.db2.gz MXBPVTYPVJOSDK-ULQDDVLXSA-N 1 1 375.377 2.371 20 0 GEADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1SCCS1 ZINC000852142655 654220974 /nfs/dbraw/zinc/22/09/74/654220974.db2.gz YGOPGFVDOCUNGA-OAHLLOKOSA-N 1 1 380.583 2.302 20 0 GEADMO Cc1ccncc1S(=O)(=O)N(CC[NH+](C)C)c1ccc(Br)cn1 ZINC000903168988 654224093 /nfs/dbraw/zinc/22/40/93/654224093.db2.gz VTDJMEGXSBXFAP-UHFFFAOYSA-N 1 1 399.314 2.304 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cnc(Br)n1 ZINC000852217329 654226153 /nfs/dbraw/zinc/22/61/53/654226153.db2.gz ZQLUDDVMUFCMFF-NEPJUHHUSA-N 1 1 388.310 2.418 20 0 GEADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cnc(Br)n1 ZINC000852217329 654226158 /nfs/dbraw/zinc/22/61/58/654226158.db2.gz ZQLUDDVMUFCMFF-NEPJUHHUSA-N 1 1 388.310 2.418 20 0 GEADMO C[N@H+]1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000852228866 654226694 /nfs/dbraw/zinc/22/66/94/654226694.db2.gz GJENBODAXHLHGT-KXTXEXGHSA-N 1 1 377.432 2.042 20 0 GEADMO O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H](O)c1cccc(Br)c1 ZINC000802317825 654228766 /nfs/dbraw/zinc/22/87/66/654228766.db2.gz DQEYXIKCXGLTAW-MRXNPFEDSA-N 1 1 378.270 2.374 20 0 GEADMO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000903229143 654229872 /nfs/dbraw/zinc/22/98/72/654229872.db2.gz DTIDZZUQAWODFJ-ZDUSSCGKSA-N 1 1 395.344 2.083 20 0 GEADMO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccccc1OC(F)(F)F ZINC000903229923 654230378 /nfs/dbraw/zinc/23/03/78/654230378.db2.gz SBGPCONGCDYFAW-SNVBAGLBSA-N 1 1 388.433 2.293 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313817 654231885 /nfs/dbraw/zinc/23/18/85/654231885.db2.gz OIBRHBZPINJYMS-LBPRGKRZSA-N 1 1 379.258 2.349 20 0 GEADMO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313817 654231887 /nfs/dbraw/zinc/23/18/87/654231887.db2.gz OIBRHBZPINJYMS-LBPRGKRZSA-N 1 1 379.258 2.349 20 0 GEADMO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000852331929 654232357 /nfs/dbraw/zinc/23/23/57/654232357.db2.gz DUJYTDCIVULZEQ-INIZCTEOSA-N 1 1 392.301 2.219 20 0 GEADMO COC[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000903291325 654232903 /nfs/dbraw/zinc/23/29/03/654232903.db2.gz WKERCYWNMTYLDH-OAHLLOKOSA-N 1 1 380.432 2.408 20 0 GEADMO C[C@@H](C(=O)N[C@](C)(CO)c1cccc(Br)c1)[NH+]1CCSCC1 ZINC000890632543 654235126 /nfs/dbraw/zinc/23/51/26/654235126.db2.gz NMZKYPNNQVCWKF-BLLLJJGKSA-N 1 1 387.343 2.210 20 0 GEADMO CO[C@@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCS(=O)(=O)C1 ZINC000903365437 654235822 /nfs/dbraw/zinc/23/58/22/654235822.db2.gz NMTSJGOSEMIRCJ-DZGCQCFKSA-N 1 1 392.290 2.369 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000802736450 654238551 /nfs/dbraw/zinc/23/85/51/654238551.db2.gz KPLJXCXYDRKXBY-ZDUSSCGKSA-N 1 1 390.285 2.366 20 0 GEADMO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000802736450 654238554 /nfs/dbraw/zinc/23/85/54/654238554.db2.gz KPLJXCXYDRKXBY-ZDUSSCGKSA-N 1 1 390.285 2.366 20 0 GEADMO O=C(CC[N@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000852433372 654239030 /nfs/dbraw/zinc/23/90/30/654239030.db2.gz UQHLSPSLXOOVCQ-AWEZNQCLSA-N 1 1 382.258 2.304 20 0 GEADMO O=C(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)NCCc1cccc(Cl)c1Cl ZINC000852435054 654239113 /nfs/dbraw/zinc/23/91/13/654239113.db2.gz IVNPFUCVXNRJNS-CYBMUJFWSA-N 1 1 386.279 2.179 20 0 GEADMO O=C(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)NCCc1cccc(Cl)c1Cl ZINC000852435054 654239119 /nfs/dbraw/zinc/23/91/19/654239119.db2.gz IVNPFUCVXNRJNS-CYBMUJFWSA-N 1 1 386.279 2.179 20 0 GEADMO CN1CCC2(CC[NH+](CN3Cc4ccc(Br)cc4C3=O)CC2)C1=O ZINC000802741798 654239804 /nfs/dbraw/zinc/23/98/04/654239804.db2.gz YEKPFRAXNDVHJH-UHFFFAOYSA-N 1 1 392.297 2.307 20 0 GEADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000852515401 654245237 /nfs/dbraw/zinc/24/52/37/654245237.db2.gz VMPLRHOKTHCYDS-INIZCTEOSA-N 1 1 378.318 2.289 20 0 GEADMO Cc1cc(CNC(=O)c2cc(Br)n(C)n2)cc(N2CCCC2)[nH+]1 ZINC000832205196 654245781 /nfs/dbraw/zinc/24/57/81/654245781.db2.gz YMJGZLDILYSATK-UHFFFAOYSA-N 1 1 378.274 2.416 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1=Cc2ccccc2OCC1 ZINC000921321422 654247051 /nfs/dbraw/zinc/24/70/51/654247051.db2.gz FBRTWNJGPOCAPX-IAGOWNOFSA-N 1 1 380.535 2.309 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1=Cc2ccccc2OCC1 ZINC000921321422 654247057 /nfs/dbraw/zinc/24/70/57/654247057.db2.gz FBRTWNJGPOCAPX-IAGOWNOFSA-N 1 1 380.535 2.309 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322584 654247576 /nfs/dbraw/zinc/24/75/76/654247576.db2.gz VJGRNZIOOOFPOA-NEPJUHHUSA-N 1 1 386.930 2.074 20 0 GEADMO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2nccc(Cl)c12 ZINC000921322584 654247580 /nfs/dbraw/zinc/24/75/80/654247580.db2.gz VJGRNZIOOOFPOA-NEPJUHHUSA-N 1 1 386.930 2.074 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000891007890 654257888 /nfs/dbraw/zinc/25/78/88/654257888.db2.gz FCNVAZLZUQIHFH-UHFFFAOYSA-N 1 1 396.285 2.143 20 0 GEADMO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000891007890 654257896 /nfs/dbraw/zinc/25/78/96/654257896.db2.gz FCNVAZLZUQIHFH-UHFFFAOYSA-N 1 1 396.285 2.143 20 0 GEADMO CCOC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000852778728 654260298 /nfs/dbraw/zinc/26/02/98/654260298.db2.gz UNMIKUCTLVMULB-AWEZNQCLSA-N 1 1 384.274 2.186 20 0 GEADMO CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000852789889 654260376 /nfs/dbraw/zinc/26/03/76/654260376.db2.gz BQHNBDBLYPILED-FZMZJTMJSA-N 1 1 384.274 2.186 20 0 GEADMO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC[C@H]1C(F)(F)F ZINC000903578353 654260768 /nfs/dbraw/zinc/26/07/68/654260768.db2.gz GLCLOROUFUYROC-RKDXNWHRSA-N 1 1 392.321 2.311 20 0 GEADMO CCc1c(NC(=O)C2=NO[C@H](C[NH3+])C2)[nH]nc1-c1ccc(Br)cc1 ZINC000852839054 654262791 /nfs/dbraw/zinc/26/27/91/654262791.db2.gz VWEYGVMMJXJUFS-NSHDSACASA-N 1 1 392.257 2.444 20 0 GEADMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852881806 654265350 /nfs/dbraw/zinc/26/53/50/654265350.db2.gz QDRNASYRIQOAPX-MRXNPFEDSA-N 1 1 381.249 2.408 20 0 GEADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 ZINC000903618641 654268146 /nfs/dbraw/zinc/26/81/46/654268146.db2.gz NTPXACRPMPPNQE-JBEBIEQOSA-N 1 1 388.559 2.150 20 0 GEADMO CCn1c(C[NH2+]CCNC(=O)C2CC2)nc(Br)c1Br ZINC000921483432 654273007 /nfs/dbraw/zinc/27/30/07/654273007.db2.gz LEOBNZOIWABLSW-UHFFFAOYSA-N 1 1 394.111 2.044 20 0 GEADMO O=C(N[C@@H]1COC(=O)C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487324 654273954 /nfs/dbraw/zinc/27/39/54/654273954.db2.gz IPQOIMCRINCALY-HNNXBMFYSA-N 1 1 396.285 2.028 20 0 GEADMO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCn1cc[nH+]c1C(C)C ZINC000921528786 654278554 /nfs/dbraw/zinc/27/85/54/654278554.db2.gz WOAXZNPYCYDHAE-UHFFFAOYSA-N 1 1 385.873 2.425 20 0 GEADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000891308462 654281507 /nfs/dbraw/zinc/28/15/07/654281507.db2.gz NSVFCEZBKFTUMC-LLVKDONJSA-N 1 1 379.873 2.007 20 0 GEADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000891308462 654281509 /nfs/dbraw/zinc/28/15/09/654281509.db2.gz NSVFCEZBKFTUMC-LLVKDONJSA-N 1 1 379.873 2.007 20 0 GEADMO C[N@H+](C[C@@H](O)c1ccccc1Br)[C@H]1CCN(C2CCOCC2)C1=O ZINC000832680136 654287083 /nfs/dbraw/zinc/28/70/83/654287083.db2.gz OGCXHEZVMHQEDD-DLBZAZTESA-N 1 1 397.313 2.194 20 0 GEADMO C[N@@H+](C[C@@H](O)c1ccccc1Br)[C@H]1CCN(C2CCOCC2)C1=O ZINC000832680136 654287090 /nfs/dbraw/zinc/28/70/90/654287090.db2.gz OGCXHEZVMHQEDD-DLBZAZTESA-N 1 1 397.313 2.194 20 0 GEADMO COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000832705868 654289130 /nfs/dbraw/zinc/28/91/30/654289130.db2.gz QQQWICBGCQRZKP-HUUCEWRRSA-N 1 1 381.885 2.300 20 0 GEADMO CCn1c(C[NH2+]CCOCCOC)nc(Br)c1Br ZINC000921593219 654289191 /nfs/dbraw/zinc/28/91/91/654289191.db2.gz LDMNUQJKVOXWSN-UHFFFAOYSA-N 1 1 385.100 2.181 20 0 GEADMO CCCN(C(=O)C(=O)Nc1cnc(Br)c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000832743340 654292939 /nfs/dbraw/zinc/29/29/39/654292939.db2.gz WTBYWFQBBWJZFE-ZDUSSCGKSA-N 1 1 383.290 2.034 20 0 GEADMO O=C(NCCSC(F)(F)F)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853452559 654296552 /nfs/dbraw/zinc/29/65/52/654296552.db2.gz LVKLBGLYJGUDDB-AWEZNQCLSA-N 1 1 377.432 2.305 20 0 GEADMO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000891550306 654300202 /nfs/dbraw/zinc/30/02/02/654300202.db2.gz BIMYPQYREJJYKO-AEFFLSMTSA-N 1 1 380.330 2.094 20 0 GEADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccnc3I)C2)C1 ZINC000832870376 654300343 /nfs/dbraw/zinc/30/03/43/654300343.db2.gz IOSWPQQMQAGRPV-HNNXBMFYSA-N 1 1 385.249 2.244 20 0 GEADMO O=C1OCCN1[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000853541851 654302051 /nfs/dbraw/zinc/30/20/51/654302051.db2.gz WKISBVKCLPGZHJ-GFCCVEGCSA-N 1 1 392.253 2.248 20 0 GEADMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(N)nn1 ZINC000904347692 654308223 /nfs/dbraw/zinc/30/82/23/654308223.db2.gz IPSOOWPJNGRIEU-UHFFFAOYSA-N 1 1 379.258 2.387 20 0 GEADMO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(N)nn1 ZINC000904347692 654308234 /nfs/dbraw/zinc/30/82/34/654308234.db2.gz IPSOOWPJNGRIEU-UHFFFAOYSA-N 1 1 379.258 2.387 20 0 GEADMO Cc1cc2c(cc1Br)CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000904432905 654310408 /nfs/dbraw/zinc/31/04/08/654310408.db2.gz ITFGROJVSJMLNA-CQSZACIVSA-N 1 1 380.330 2.313 20 0 GEADMO CCn1c(C[NH2+]CC[S@](=O)CC)nc(Br)c1Br ZINC000921721276 654311134 /nfs/dbraw/zinc/31/11/34/654311134.db2.gz VZVLSERFVPLVJO-QGZVFWFLSA-N 1 1 387.141 2.286 20 0 GEADMO COC(=O)c1cccc(NC(=O)Nc2cc3n(n2)CC[NH2+]C3)c1Br ZINC000904451372 654311616 /nfs/dbraw/zinc/31/16/16/654311616.db2.gz XULYWLRMDQOSFG-UHFFFAOYSA-N 1 1 394.229 2.179 20 0 GEADMO Cc1cc(NC(=O)C[NH2+]Cc2cnc3n2CCOC3)ccc1Br ZINC000921727034 654312465 /nfs/dbraw/zinc/31/24/65/654312465.db2.gz AJELLYMUMFXLNE-UHFFFAOYSA-N 1 1 379.258 2.213 20 0 GEADMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(Br)c[nH]1 ZINC000921775549 654321020 /nfs/dbraw/zinc/32/10/20/654321020.db2.gz HFWOWGPKPYCGPP-ZDUSSCGKSA-N 1 1 376.258 2.100 20 0 GEADMO O=C1CC2(CCOCC2)[N@@H+](CCOc2ccccc2Br)CCN1 ZINC000872283264 654321255 /nfs/dbraw/zinc/32/12/55/654321255.db2.gz CUHXWGBSSIFMNE-UHFFFAOYSA-N 1 1 383.286 2.199 20 0 GEADMO C[C@](CO)(NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000891984083 654322046 /nfs/dbraw/zinc/32/20/46/654322046.db2.gz PTHKJGCRNXFNLS-SCLBCKFNSA-N 1 1 396.329 2.440 20 0 GEADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853851342 654325632 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C[C@@H](NC(=O)NCC1(n2cc(Br)cn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000921881047 654337133 /nfs/dbraw/zinc/33/71/33/654337133.db2.gz MVMODPJIULBZRH-GFCCVEGCSA-N 1 1 382.306 2.084 20 0 GEADMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872455623 654341141 /nfs/dbraw/zinc/34/11/41/654341141.db2.gz XEQSPILAUUBZIW-CYBMUJFWSA-N 1 1 385.917 2.330 20 0 GEADMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872455623 654341146 /nfs/dbraw/zinc/34/11/46/654341146.db2.gz XEQSPILAUUBZIW-CYBMUJFWSA-N 1 1 385.917 2.330 20 0 GEADMO O=S(=O)(Cc1cc(F)ccc1Cl)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912317 654341359 /nfs/dbraw/zinc/34/13/59/654341359.db2.gz ORVGJLRBXUMNKC-OAHLLOKOSA-N 1 1 376.881 2.152 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C(F)(F)F)s1 ZINC000921912504 654341445 /nfs/dbraw/zinc/34/14/45/654341445.db2.gz XYTQMNAJTQGKNK-NSHDSACASA-N 1 1 384.445 2.299 20 0 GEADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(C(F)(F)F)s1 ZINC000921912504 654341447 /nfs/dbraw/zinc/34/14/47/654341447.db2.gz XYTQMNAJTQGKNK-NSHDSACASA-N 1 1 384.445 2.299 20 0 GEADMO CCOC(=O)c1ncc(Br)c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000892409651 654344697 /nfs/dbraw/zinc/34/46/97/654344697.db2.gz JUZGFGCTEBWPCG-GFCCVEGCSA-N 1 1 383.290 2.480 20 0 GEADMO CC[N@H+](CCNS(=O)(=O)c1cnc(Cl)c(F)c1)CCC(F)(F)F ZINC000805079784 654346711 /nfs/dbraw/zinc/34/67/11/654346711.db2.gz QKWUIMUOTQSJOG-UHFFFAOYSA-N 1 1 377.791 2.427 20 0 GEADMO CC[N@@H+](CCNS(=O)(=O)c1cnc(Cl)c(F)c1)CCC(F)(F)F ZINC000805079784 654346714 /nfs/dbraw/zinc/34/67/14/654346714.db2.gz QKWUIMUOTQSJOG-UHFFFAOYSA-N 1 1 377.791 2.427 20 0 GEADMO O=C(NCCc1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892504875 654348716 /nfs/dbraw/zinc/34/87/16/654348716.db2.gz DMKWYNOZGLPXSO-IRXDYDNUSA-N 1 1 396.329 2.232 20 0 GEADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000805096348 654348935 /nfs/dbraw/zinc/34/89/35/654348935.db2.gz NTHXJDKBIJRWEL-OAHLLOKOSA-N 1 1 387.864 2.464 20 0 GEADMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872477168 654349880 /nfs/dbraw/zinc/34/98/80/654349880.db2.gz FPPPDQXOYYYGCQ-UHFFFAOYSA-N 1 1 385.917 2.330 20 0 GEADMO CCn1c(C[NH2+]C[C@H](COC)OC)nc(Br)c1Br ZINC000921979282 654350912 /nfs/dbraw/zinc/35/09/12/654350912.db2.gz GZKKGDFTXUHETL-MRVPVSSYSA-N 1 1 385.100 2.179 20 0 GEADMO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892555806 654351335 /nfs/dbraw/zinc/35/13/35/654351335.db2.gz WTFKJWFMWMQRDP-AWEZNQCLSA-N 1 1 397.317 2.432 20 0 GEADMO Cc1[nH+]ccn1CCNC(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC000892572191 654352111 /nfs/dbraw/zinc/35/21/11/654352111.db2.gz HLILBCRCVFFKRM-INIZCTEOSA-N 1 1 381.274 2.161 20 0 GEADMO O=C(NCc1cnc(Br)cn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000854351502 654354052 /nfs/dbraw/zinc/35/40/52/654354052.db2.gz YZMPURKQRTWCLI-AWEZNQCLSA-N 1 1 390.285 2.163 20 0 GEADMO O=C(NCc1cnc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000854351949 654354420 /nfs/dbraw/zinc/35/44/20/654354420.db2.gz 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ZINC000854645132 654372648 /nfs/dbraw/zinc/37/26/48/654372648.db2.gz YWYZMOZSLPRAOK-UHFFFAOYSA-N 1 1 390.525 2.015 20 0 GEADMO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000905697002 654375220 /nfs/dbraw/zinc/37/52/20/654375220.db2.gz SVMUVNBHVVNBJT-HOCLYGCPSA-N 1 1 395.297 2.417 20 0 GEADMO C[C@@](CO)(NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000893019003 654375996 /nfs/dbraw/zinc/37/59/96/654375996.db2.gz PDVRCEMUUOAVFX-YOEHRIQHSA-N 1 1 382.302 2.193 20 0 GEADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)n2)[C@H](C)C1 ZINC000835266884 654376579 /nfs/dbraw/zinc/37/65/79/654376579.db2.gz NQXPDEYRVIHXCL-OLZOCXBDSA-N 1 1 397.317 2.280 20 0 GEADMO O=C(NCCc1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893079390 654380772 /nfs/dbraw/zinc/38/07/72/654380772.db2.gz XARDIEJCJSBREU-IRXDYDNUSA-N 1 1 396.329 2.232 20 0 GEADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNCc2nc(Br)c[nH]2)C1 ZINC000922313768 654382480 /nfs/dbraw/zinc/38/24/80/654382480.db2.gz CHMMHUUWZIUPPH-OAHLLOKOSA-N 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