smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)c(=O)c2ccccc12 ZINC000426380132 231211157 /nfs/dbraw/zinc/21/11/57/231211157.db2.gz QTGBEMFVQQDIQX-HOTGVXAUSA-N 1 0 380.423 2.124 50 0 GEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000409413522 529949830 /nfs/dbraw/zinc/94/98/30/529949830.db2.gz BRIRRTZHECKNNX-WDSOQIARSA-N 1 0 398.507 2.224 50 0 GEAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426555378 529975102 /nfs/dbraw/zinc/97/51/02/529975102.db2.gz DNWSMKAMIQMVEC-MRXNPFEDSA-N 1 0 380.452 2.059 50 0 GEAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1 ZINC000020953592 531582213 /nfs/dbraw/zinc/58/22/13/531582213.db2.gz ZJOSUWPIGCRCHZ-SFHVURJKSA-N 1 0 379.551 2.156 50 0 GEAARO CCOc1c(Br)cc(CNCC[NH2+]CCO)cc1Br ZINC000020477682 531583016 /nfs/dbraw/zinc/58/30/16/531583016.db2.gz BPEFCNIDUZUCNS-UHFFFAOYSA-N 1 0 396.123 2.282 50 0 GEAARO COc1c(Br)cc(C[NH2+]CCOCCO)cc1Br ZINC000020927421 531583139 /nfs/dbraw/zinc/58/31/39/531583139.db2.gz DVMCBGYUOUGJEU-UHFFFAOYSA-N 1 0 383.080 2.319 50 0 GEAARO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032594040 531655075 /nfs/dbraw/zinc/65/50/75/531655075.db2.gz PWXWTCQDMSVSOK-LBPRGKRZSA-N 1 0 380.341 2.298 50 0 GEAARO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254695 531758953 /nfs/dbraw/zinc/75/89/53/531758953.db2.gz DBLBNNJLRKKVLN-SECBINFHSA-N 1 0 383.695 2.141 50 0 GEAARO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000237093457 532504605 /nfs/dbraw/zinc/50/46/05/532504605.db2.gz KBKCIEIFBBGKFM-HOTGVXAUSA-N 1 0 382.302 2.227 50 0 GEAARO NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000003809836 204019102 /nfs/dbraw/zinc/01/91/02/204019102.db2.gz CJKBMTWHZUGZIL-SFHVURJKSA-N 1 0 398.463 2.288 50 0 in-vitro GEAARO OCC[NH+](CCO)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004264132 204036173 /nfs/dbraw/zinc/03/61/73/204036173.db2.gz STPQBRUWBPEJCN-FCSDKFEESA-N 1 0 389.536 2.181 50 0 GEAARO CCCCOC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](CC)CC)cc1 ZINC000004728885 204069176 /nfs/dbraw/zinc/06/91/76/204069176.db2.gz VXNPPCFHCHBDJS-UHFFFAOYSA-N 1 0 377.485 2.430 50 0 GEAARO CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746161 204073414 /nfs/dbraw/zinc/07/34/14/204073414.db2.gz JBWHRAYEOHUJDU-INIZCTEOSA-N 1 0 380.330 2.435 50 0 GEAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+]C[C@H]3CCCO3)cc21 ZINC000004661306 204060191 /nfs/dbraw/zinc/06/01/91/204060191.db2.gz RHNIJUPHKGITNY-NVXWUHKLSA-N 1 0 390.480 2.172 50 0 GEAARO Cc1nn(CC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c2cc3occc3n21 ZINC000005149307 204115684 /nfs/dbraw/zinc/11/56/84/204115684.db2.gz JKIBXNFVZCTWEP-HUUCEWRRSA-N 1 0 399.495 2.320 50 0 GEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797273 204207134 /nfs/dbraw/zinc/20/71/34/204207134.db2.gz AGAOHRQIMHTUMX-KRWDZBQOSA-N 1 0 395.507 2.420 50 0 GEAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)CSc3ncccc32)C1 ZINC000006802552 204207912 /nfs/dbraw/zinc/20/79/12/204207912.db2.gz UICUXKMZQVBCBW-GJZGRUSLSA-N 1 0 376.526 2.005 50 0 GEAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccn2)N(CC[NH+](C)C)C1=O ZINC000006660931 204190820 /nfs/dbraw/zinc/19/08/20/204190820.db2.gz ZPXHZSGFFUNCTR-GOSISDBHSA-N 1 0 379.416 2.303 50 0 GEAARO CCC[NH+](CCC)CCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006997784 204228409 /nfs/dbraw/zinc/22/84/09/204228409.db2.gz NEDNIUCEWMTMQL-UHFFFAOYSA-N 1 0 383.496 2.424 50 0 GEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000007065614 204232465 /nfs/dbraw/zinc/23/24/65/204232465.db2.gz QQKTYPYRTMFPOG-UHFFFAOYSA-N 1 0 387.505 2.000 50 0 GEAARO CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007735722 204249291 /nfs/dbraw/zinc/24/92/91/204249291.db2.gz AXRZYHMKKWHKNC-KRWDZBQOSA-N 1 0 376.478 2.391 50 0 GEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008367153 204274303 /nfs/dbraw/zinc/27/43/03/204274303.db2.gz RZFVMKOUCXUEGS-IBGZPJMESA-N 1 0 399.516 2.231 50 0 GEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000009917348 204327385 /nfs/dbraw/zinc/32/73/85/204327385.db2.gz HWHBJQFIPWSWAC-UHFFFAOYSA-N 1 0 379.460 2.327 50 0 GEAARO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc(OC)c1 ZINC000011720728 204351135 /nfs/dbraw/zinc/35/11/35/204351135.db2.gz YYQBBFQXFHGVKQ-QGZVFWFLSA-N 1 0 375.513 2.126 50 0 GEAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 ZINC000011753938 204352129 /nfs/dbraw/zinc/35/21/29/204352129.db2.gz LKTKEDWDVDXKIT-INIZCTEOSA-N 1 0 381.952 2.148 50 0 GEAARO C[C@@H](C[N@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1)c1ccccc1 ZINC000012024754 204367459 /nfs/dbraw/zinc/36/74/59/204367459.db2.gz IQSXJWFLWUFNTJ-KRWDZBQOSA-N 1 0 390.491 2.265 50 0 GEAARO O=C(NCCc1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2)c1ccoc1 ZINC000012036568 204368971 /nfs/dbraw/zinc/36/89/71/204368971.db2.gz ABFLLWFZFYERHO-QPJJXVBHSA-N 1 0 391.475 2.415 50 0 GEAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)COC)O3)CC2)ccc1O ZINC000012198126 204381471 /nfs/dbraw/zinc/38/14/71/204381471.db2.gz KGYPKPNIQWWOPU-QGZVFWFLSA-N 1 0 392.496 2.067 50 0 GEAARO COc1ccc(OC)c(C[NH+]2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1 ZINC000012278515 204388888 /nfs/dbraw/zinc/38/88/88/204388888.db2.gz UAHFXUMDDDEGKK-UHFFFAOYSA-N 1 0 387.484 2.271 50 0 GEAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCSC)C2 ZINC000014749356 204541003 /nfs/dbraw/zinc/54/10/03/204541003.db2.gz HWSIFRLNNMIYHR-AWEZNQCLSA-N 1 0 382.599 2.292 50 0 GEAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)CC1 ZINC000015861281 204581458 /nfs/dbraw/zinc/58/14/58/204581458.db2.gz BNSWCSOQDRAOQR-UHFFFAOYSA-N 1 0 393.509 2.254 50 0 GEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000037383813 204592682 /nfs/dbraw/zinc/59/26/82/204592682.db2.gz ILNGMKNPNLXUNX-UHFFFAOYSA-N 1 0 379.320 2.468 50 0 GEAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000020915660 204744966 /nfs/dbraw/zinc/74/49/66/204744966.db2.gz ZCUZTADXUANPFS-UHFFFAOYSA-N 1 0 379.464 2.296 50 0 GEAARO CC(C)[NH+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(C)C ZINC000022622987 204783983 /nfs/dbraw/zinc/78/39/83/204783983.db2.gz KGQIPYGLWVDRQP-MRXNPFEDSA-N 1 0 389.496 2.046 50 0 GEAARO CC[NH+](CC)CCNC(=O)[C@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944793 204932815 /nfs/dbraw/zinc/93/28/15/204932815.db2.gz CERBUBGVFBCAJX-LBPRGKRZSA-N 1 0 384.402 2.434 50 0 GEAARO CC(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCCC[NH+](C)C)CC1 ZINC000037276718 205023872 /nfs/dbraw/zinc/02/38/72/205023872.db2.gz MHHBGGXYKVSHHS-UHFFFAOYSA-N 1 0 388.556 2.499 50 0 GEAARO CN1CC[N@H+](C)[C@H](CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000039461034 205041982 /nfs/dbraw/zinc/04/19/82/205041982.db2.gz PNQGWYGUMGJQMX-MRXNPFEDSA-N 1 0 390.434 2.404 50 0 GEAARO C[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)Cc1ccccc1 ZINC000040072646 205049300 /nfs/dbraw/zinc/04/93/00/205049300.db2.gz OBQPKKPXAQLWQS-LJQANCHMSA-N 1 0 380.492 2.068 50 0 GEAARO COc1cccc(CO[C@@H](C)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000040107277 205053330 /nfs/dbraw/zinc/05/33/30/205053330.db2.gz DLBDBGYRAALWGQ-PXNSSMCTSA-N 1 0 376.497 2.314 50 0 GEAARO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000299740108 205092400 /nfs/dbraw/zinc/09/24/00/205092400.db2.gz VUZKFKINAVADNV-GXFFZTMASA-N 1 0 377.304 2.348 50 0 GEAARO Cc1ccccc1COc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1 ZINC000040744452 205070987 /nfs/dbraw/zinc/07/09/87/205070987.db2.gz KPFBGHSOTJBCSW-UHFFFAOYSA-N 1 0 381.436 2.059 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1 ZINC000048364675 205120780 /nfs/dbraw/zinc/12/07/80/205120780.db2.gz AQROWIYVYIOKNT-HXUWFJFHSA-N 1 0 390.487 2.199 50 0 GEAARO O=C1C2=C(CN1CC[NH+]1CCCC1)NC(=O)N[C@H]2c1ccccc1C(F)(F)F ZINC000057531459 205158848 /nfs/dbraw/zinc/15/88/48/205158848.db2.gz IOWFWYOSMUUTCR-INIZCTEOSA-N 1 0 394.397 2.251 50 0 GEAARO COc1cccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)[NH+](C)C)c1 ZINC000053271268 205134995 /nfs/dbraw/zinc/13/49/95/205134995.db2.gz BJUJBMWLQUKBLX-LJQANCHMSA-N 1 0 396.495 2.101 50 0 GEAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCC3(CC2)NC(CCC(C)C)=NC3=O)C1 ZINC000055118992 205143142 /nfs/dbraw/zinc/14/31/42/205143142.db2.gz YZUYTGDTEWXNKR-HXUWFJFHSA-N 1 0 376.545 2.434 50 0 GEAARO NC(=O)CCn1cc(C[NH+]2CCC(Oc3ncccn3)CC2)c2ccccc21 ZINC000055212039 205144820 /nfs/dbraw/zinc/14/48/20/205144820.db2.gz LLYBPGFULNBOAO-UHFFFAOYSA-N 1 0 379.464 2.350 50 0 GEAARO COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000055244024 205144831 /nfs/dbraw/zinc/14/48/31/205144831.db2.gz FROQUDLSCUDMOA-IBGZPJMESA-N 1 0 383.496 2.063 50 0 GEAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000057063774 205152887 /nfs/dbraw/zinc/15/28/87/205152887.db2.gz RCQQKHQFDDVXPI-RQXXJAGISA-N 1 0 391.402 2.257 50 0 GEAARO COc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000063834592 205186572 /nfs/dbraw/zinc/18/65/72/205186572.db2.gz ARHOOQQECBJREN-OAHLLOKOSA-N 1 0 379.464 2.420 50 0 GEAARO Cc1sc2nc(CCC(=O)NCC[N@H+]3CCC[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058195531 205166833 /nfs/dbraw/zinc/16/68/33/205166833.db2.gz DXDMEPLLVWVZHM-LBPRGKRZSA-N 1 0 376.526 2.382 50 0 GEAARO CCOC(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441183 205176302 /nfs/dbraw/zinc/17/63/02/205176302.db2.gz WBTFWQUUBCFYDB-YLJYHZDGSA-N 1 0 387.524 2.041 50 0 GEAARO Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)n2)cc1F ZINC000059403293 205177969 /nfs/dbraw/zinc/17/79/69/205177969.db2.gz PGXYMJPBCZYRDD-HNNXBMFYSA-N 1 0 396.488 2.130 50 0 GEAARO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCCC2)c(C)n1C ZINC000064923239 205201185 /nfs/dbraw/zinc/20/11/85/205201185.db2.gz JINDEILSMMSLNJ-AWEZNQCLSA-N 1 0 385.530 2.053 50 0 GEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987475 205205195 /nfs/dbraw/zinc/20/51/95/205205195.db2.gz VUDSNSHDFPCZGH-CQSZACIVSA-N 1 0 383.496 2.489 50 0 GEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775902 205195612 /nfs/dbraw/zinc/19/56/12/205195612.db2.gz JDRUIQISJKPJKY-MRXNPFEDSA-N 1 0 395.507 2.269 50 0 GEAARO C[C@H](CCNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)[NH+]1CCCC1 ZINC000064839675 205196452 /nfs/dbraw/zinc/19/64/52/205196452.db2.gz ZSZFKHGAVVIKSZ-CVEARBPZSA-N 1 0 395.507 2.440 50 0 GEAARO C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000065362757 205230109 /nfs/dbraw/zinc/23/01/09/205230109.db2.gz NZTPHXIFQMQGPC-UHFFFAOYSA-N 1 0 399.944 2.339 50 0 GEAARO Cc1ccc(N([C@@H](C)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000065361809 205230741 /nfs/dbraw/zinc/23/07/41/205230741.db2.gz MGYPJPJWAUUWGP-ZDUSSCGKSA-N 1 0 387.933 2.013 50 0 GEAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(c1nccc3ccccc31)C2 ZINC000065370682 205232281 /nfs/dbraw/zinc/23/22/81/205232281.db2.gz OFPPMWYMLQRMOH-UHFFFAOYSA-N 1 0 378.480 2.133 50 0 GEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000065365525 205232604 /nfs/dbraw/zinc/23/26/04/205232604.db2.gz IVQDGIXAZUGGGU-KRWDZBQOSA-N 1 0 381.542 2.058 50 0 GEAARO COCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)CC[N@@H+]2C ZINC000067514018 205249199 /nfs/dbraw/zinc/24/91/99/205249199.db2.gz XQBQTJRZKBEIEA-UHFFFAOYSA-N 1 0 379.932 2.485 50 0 GEAARO COc1c(F)c(F)c(CN2C(=O)N[C@](C)(C3CC[NH2+]CC3)C2=O)c(F)c1F ZINC000067605520 205249751 /nfs/dbraw/zinc/24/97/51/205249751.db2.gz RNCLMMPXJZVPJA-QGZVFWFLSA-N 1 0 389.349 2.062 50 0 GEAARO Cc1cccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c1 ZINC000067620567 205250479 /nfs/dbraw/zinc/25/04/79/205250479.db2.gz AIDWDLNSNJSHPG-UHFFFAOYSA-N 1 0 375.498 2.084 50 0 GEAARO CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nc(C)[nH+]1 ZINC000067604534 205251009 /nfs/dbraw/zinc/25/10/09/205251009.db2.gz FAQANCWETGOAKW-UHFFFAOYSA-N 1 0 385.468 2.196 50 0 GEAARO O=c1[nH]c2cc(F)ccc2cc1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000067587960 205251550 /nfs/dbraw/zinc/25/15/50/205251550.db2.gz SJELKZVQVCKWIY-UHFFFAOYSA-N 1 0 382.420 2.133 50 0 GEAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccs2)[nH+]1 ZINC000067629474 205251891 /nfs/dbraw/zinc/25/18/91/205251891.db2.gz OXNUKVPFPIGAET-UHFFFAOYSA-N 1 0 381.527 2.227 50 0 GEAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642717 205251924 /nfs/dbraw/zinc/25/19/24/205251924.db2.gz TUCMASXXCIWBFE-LJQANCHMSA-N 1 0 388.556 2.083 50 0 GEAARO O=C(c1ccc(NCc2ccccn2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067726093 205255749 /nfs/dbraw/zinc/25/57/49/205255749.db2.gz XRTFAEVCIJAAAQ-UHFFFAOYSA-N 1 0 381.480 2.026 50 0 GEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]Cc3cccnc3N)C2=O)cc1 ZINC000067756266 205259079 /nfs/dbraw/zinc/25/90/79/205259079.db2.gz RYYULDRPZONHCM-JOCHJYFZSA-N 1 0 382.508 2.431 50 0 GEAARO Cc1nc2ncccc2cc1C(=O)N[C@@H](CC(C)C)c1nnc2n1CC[NH2+]CC2 ZINC000067856293 205264587 /nfs/dbraw/zinc/26/45/87/205264587.db2.gz UVVYWYXQBGTZLB-KRWDZBQOSA-N 1 0 393.495 2.193 50 0 GEAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067856440 205265322 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CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677533 570294217 /nfs/dbraw/zinc/29/42/17/570294217.db2.gz UGTVRCUBTPNBDF-MRXNPFEDSA-N 1 0 392.887 2.469 50 0 GEAARO C[C@H](C(=O)NCC[NH+]1CCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944849 570298621 /nfs/dbraw/zinc/29/86/21/570298621.db2.gz FIPBGEDIQWVZQC-GFCCVEGCSA-N 1 0 382.386 2.188 50 0 GEAARO CCOc1c(Br)cc(Br)cc1CNCC[NH2+]CCO ZINC000022074904 570304806 /nfs/dbraw/zinc/30/48/06/570304806.db2.gz VJVMATNLRWZXBF-UHFFFAOYSA-N 1 0 396.123 2.282 50 0 GEAARO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1N(C)S(C)(=O)=O ZINC000106684281 570306886 /nfs/dbraw/zinc/30/68/86/570306886.db2.gz VRVYYNWCVXAFRH-HZPDHXFCSA-N 1 0 395.569 2.489 50 0 GEAARO CCCOc1ccc(OCCN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107411308 570309561 /nfs/dbraw/zinc/30/95/61/570309561.db2.gz AXVYFJYLCDSGOI-OAQYLSRUSA-N 1 0 375.513 2.141 50 0 GEAARO COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2OC)[NH+](C)C)cc1 ZINC000022438983 570317205 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571018979 /nfs/dbraw/zinc/01/89/79/571018979.db2.gz ZIGLYSAVDHSMSF-MRXNPFEDSA-N 1 0 382.489 2.239 50 0 GEAARO COc1cccc2c1OC[C@@H](C(=O)NC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000091644129 571021437 /nfs/dbraw/zinc/02/14/37/571021437.db2.gz ZYVTWJBIMUOYIO-SFHVURJKSA-N 1 0 381.476 2.422 50 0 GEAARO C[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)[NH+]1CCCC1 ZINC000091656175 571023089 /nfs/dbraw/zinc/02/30/89/571023089.db2.gz OYIBLBJTALXTMU-GOSISDBHSA-N 1 0 384.524 2.297 50 0 GEAARO CCn1nc(CC(C)C)cc1C(=O)N1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000091651008 571023283 /nfs/dbraw/zinc/02/32/83/571023283.db2.gz BTBHJURFWMQOEV-SFHVURJKSA-N 1 0 375.561 2.201 50 0 GEAARO O=C(C[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1)NCc1ccccc1 ZINC000091707799 571026755 /nfs/dbraw/zinc/02/67/55/571026755.db2.gz VZZRSGFKCQKBIS-HXUWFJFHSA-N 1 0 399.535 2.186 50 0 GEAARO C[C@@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[NH+]1CCCC1 ZINC000091707453 571026791 /nfs/dbraw/zinc/02/67/91/571026791.db2.gz WEIPTHLGYLQIGC-HIGJEIRPSA-N 1 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/nfs/dbraw/zinc/28/68/99/570286899.db2.gz FDAXUMXODHNYDG-GOSISDBHSA-N 1 0 388.512 2.117 50 0 GEAARO CC(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCCN(C(=O)c4ccoc4)CC3)[C@H]2C1 ZINC000102495306 570289470 /nfs/dbraw/zinc/28/94/70/570289470.db2.gz DFBOGDQTGBBLMT-NNZMDNLPSA-N 1 0 375.469 2.150 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)CCn3cnc4sccc4c3=O)cc2)CC1 ZINC000021440793 570291331 /nfs/dbraw/zinc/29/13/31/570291331.db2.gz UVHVXPAKQXTEKD-UHFFFAOYSA-N 1 0 397.504 2.239 50 0 GEAARO O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000021487170 570291728 /nfs/dbraw/zinc/29/17/28/570291728.db2.gz XHXYSTCDXYAYST-VQTJNVASSA-N 1 0 384.476 2.026 50 0 GEAARO CCNC(=O)N1C[C@@H](C(=O)NCC[NH+]2CCCC2)C[C@@H](c2cccc(C)c2)C1 ZINC000034710506 570303146 /nfs/dbraw/zinc/30/31/46/570303146.db2.gz QKVUMRQDIITGAK-UXHICEINSA-N 1 0 386.540 2.342 50 0 GEAARO CCO[C@H]1C[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCCC2 ZINC000236990686 570311886 /nfs/dbraw/zinc/31/18/86/570311886.db2.gz YZASYLLYTSANTB-MSOLQXFVSA-N 1 0 375.517 2.403 50 0 GEAARO Cc1oc2ncn(CCC(=O)NCC[N@@H+](C)Cc3ccccc3)c(=O)c2c1C ZINC000035378531 570346746 /nfs/dbraw/zinc/34/67/46/570346746.db2.gz BGJJRZGQTKFYFU-UHFFFAOYSA-N 1 0 382.464 2.245 50 0 GEAARO COCc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000023359117 570356340 /nfs/dbraw/zinc/35/63/40/570356340.db2.gz ZZIQYPDMMUOFIA-IBGZPJMESA-N 1 0 379.545 2.167 50 0 GEAARO CCn1nc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000023359662 570356440 /nfs/dbraw/zinc/35/64/40/570356440.db2.gz MWMDJQGPUQYWQY-NRFANRHFSA-N 1 0 391.604 2.261 50 0 GEAARO O=C(C1CCCCC1)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023361303 570356855 /nfs/dbraw/zinc/35/68/55/570356855.db2.gz RRZTTYKWORROFC-DHIUTWEWSA-N 1 0 399.579 2.389 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccc2c(c1)CCO2 ZINC000090607276 570383541 /nfs/dbraw/zinc/38/35/41/570383541.db2.gz VBODIYKLQJRVQL-IBGZPJMESA-N 1 0 385.508 2.347 50 0 GEAARO CCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1-c1ccc(OC)nn1 ZINC000024572463 570386056 /nfs/dbraw/zinc/38/60/56/570386056.db2.gz BRWKCZZYVYKJBU-UHFFFAOYSA-N 1 0 394.479 2.225 50 0 GEAARO Cc1nc2cc(C(=O)N3CCCn4nc([C@H](O)C[NH+](C)C)cc4C3)ccc2s1 ZINC000222352702 570408579 /nfs/dbraw/zinc/40/85/79/570408579.db2.gz XFDAOJFIWXJGIM-GOSISDBHSA-N 1 0 399.520 2.442 50 0 GEAARO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000026134656 570422820 /nfs/dbraw/zinc/42/28/20/570422820.db2.gz QZTSJLBDVPEQRU-QGZVFWFLSA-N 1 0 399.447 2.160 50 0 GEAARO Cc1cc(O)c([C@H](c2cccnc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1 ZINC000022698315 570533396 /nfs/dbraw/zinc/53/33/96/570533396.db2.gz BXBIUAHUBKRJRZ-NRFANRHFSA-N 1 0 394.475 2.235 50 0 GEAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCCSc3ccccc3)C2)CC1 ZINC000362953815 570548518 /nfs/dbraw/zinc/54/85/18/570548518.db2.gz ZKTAIMVDYNPUAP-SFHVURJKSA-N 1 0 376.570 2.448 50 0 GEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC000022926459 570586268 /nfs/dbraw/zinc/58/62/68/570586268.db2.gz JONBXMMTFOFHFA-PZJWPPBQSA-N 1 0 386.492 2.496 50 0 GEAARO C[C@H]1C[C@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C[N@@H+]1C1CC1 ZINC000151903726 570618997 /nfs/dbraw/zinc/61/89/97/570618997.db2.gz YTNOOAMTAMGECK-BQBZGAKWSA-N 1 0 377.313 2.062 50 0 GEAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)s1 ZINC000033011384 570623387 /nfs/dbraw/zinc/62/33/87/570623387.db2.gz OHJYSDQPKSGGFQ-UHFFFAOYSA-N 1 0 375.498 2.424 50 0 GEAARO O=C(CN1CCCC1=O)N1CC[C@@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012386450 570651437 /nfs/dbraw/zinc/65/14/37/570651437.db2.gz JOKVSKKLROJZOE-OAQYLSRUSA-N 1 0 383.536 2.412 50 0 GEAARO COc1cccc(C(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000033032668 570669446 /nfs/dbraw/zinc/66/94/46/570669446.db2.gz ODDYTWFBWZKPKE-UHFFFAOYSA-N 1 0 395.503 2.202 50 0 GEAARO O=c1cc(CSc2ncccn2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000054277961 570677219 /nfs/dbraw/zinc/67/72/19/570677219.db2.gz YZZYESKDBSLSIJ-UHFFFAOYSA-N 1 0 394.504 2.174 50 0 GEAARO Cc1cc(C)n(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000055270234 570689807 /nfs/dbraw/zinc/68/98/07/570689807.db2.gz VOIIPXRCBWXSEQ-NRFANRHFSA-N 1 0 399.514 2.452 50 0 GEAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCN3CCCO3)C2)CC1 ZINC000055327567 570691838 /nfs/dbraw/zinc/69/18/38/570691838.db2.gz SMKCMZMUVYBCTD-HXUWFJFHSA-N 1 0 386.540 2.135 50 0 GEAARO COC(=O)CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055384881 570693304 /nfs/dbraw/zinc/69/33/04/570693304.db2.gz NEEIFCBHHZAUOG-SFHVURJKSA-N 1 0 393.915 2.406 50 0 GEAARO O=C(C[NH+]1CCCCC1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012718152 570705362 /nfs/dbraw/zinc/70/53/62/570705362.db2.gz NKRTXFROPLEFLL-OAHLLOKOSA-N 1 0 383.414 2.408 50 0 GEAARO NS(=O)(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012929450 570730257 /nfs/dbraw/zinc/73/02/57/570730257.db2.gz FXWUJBHALRFIMI-INIZCTEOSA-N 1 0 392.481 2.276 50 0 GEAARO CCCN1CCN(C(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000065255751 570753750 /nfs/dbraw/zinc/75/37/50/570753750.db2.gz HVJMTJAAYDLGPF-OAQYLSRUSA-N 1 0 393.535 2.400 50 0 GEAARO COC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566239 570758822 /nfs/dbraw/zinc/75/88/22/570758822.db2.gz UBQYGTTXFMGIJO-BIENJYKASA-N 1 0 387.480 2.454 50 0 GEAARO Cc1scc2nc(C(=O)NC3CC[NH+](C)CC3)nc(N3CCSCC3)c12 ZINC000065283400 570780598 /nfs/dbraw/zinc/78/05/98/570780598.db2.gz WKGLUHKUOAUZCL-UHFFFAOYSA-N 1 0 391.566 2.377 50 0 GEAARO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012535098 570835348 /nfs/dbraw/zinc/83/53/48/570835348.db2.gz VFZQPALHBDORPL-AWEZNQCLSA-N 1 0 384.461 2.271 50 0 GEAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014538447 570848504 /nfs/dbraw/zinc/84/85/04/570848504.db2.gz CYJPHAURRCNLBK-UHFFFAOYSA-N 1 0 385.508 2.307 50 0 GEAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014732978 570857963 /nfs/dbraw/zinc/85/79/63/570857963.db2.gz LRVDXZONAUPOQL-MRXNPFEDSA-N 1 0 385.508 2.307 50 0 GEAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@H+](CC3CCCCC3)C[C@H]12 ZINC000014732832 570858037 /nfs/dbraw/zinc/85/80/37/570858037.db2.gz OKSKQSCYNBJAOM-LEWJYISDSA-N 1 0 394.519 2.302 50 0 GEAARO CN(C)c1ncc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)n1C ZINC000170626777 570883928 /nfs/dbraw/zinc/88/39/28/570883928.db2.gz RSZSLYPDSBZYHN-UHFFFAOYSA-N 1 0 384.480 2.386 50 0 GEAARO Cc1ccc(CNC(=O)N2CCCN([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000097086764 570890442 /nfs/dbraw/zinc/89/04/42/570890442.db2.gz XYMIGTHOAGEJGI-HXUWFJFHSA-N 1 0 384.524 2.223 50 0 GEAARO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000097095951 570892012 /nfs/dbraw/zinc/89/20/12/570892012.db2.gz WSTIPUMTYFOLAR-QGZVFWFLSA-N 1 0 387.528 2.070 50 0 GEAARO CC1(C)CC(=O)C([C@@H]2c3ccccc3CCN2C(=O)CSC(N)=[NH2+])C(=O)C1 ZINC000104054313 570894837 /nfs/dbraw/zinc/89/48/37/570894837.db2.gz NBHKJOYLQQQZQH-SFHVURJKSA-N 1 0 387.505 2.313 50 0 GEAARO CC(C)c1nc(CN(C)C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000534633653 570910950 /nfs/dbraw/zinc/91/09/50/570910950.db2.gz FYHCLKAKINFNLH-UHFFFAOYSA-N 1 0 379.574 2.436 50 0 GEAARO CC(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)CC1 ZINC000534665509 570919440 /nfs/dbraw/zinc/91/94/40/570919440.db2.gz GSGUXTMJRHAXEP-GOSISDBHSA-N 1 0 378.904 2.351 50 0 GEAARO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCC[NH+](C)C ZINC000083851137 570971350 /nfs/dbraw/zinc/97/13/50/570971350.db2.gz VFVAXVSQDJJPJU-UHFFFAOYSA-N 1 0 377.432 2.397 50 0 GEAARO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000108395439 570988475 /nfs/dbraw/zinc/98/84/75/570988475.db2.gz GEIXSHDTIQYZDK-GOTSBHOMSA-N 1 0 395.547 2.426 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4c(Cl)cccn43)C2)CC1 ZINC000065312763 570995988 /nfs/dbraw/zinc/99/59/88/570995988.db2.gz BDRREAXEPDICNV-HNNXBMFYSA-N 1 0 390.919 2.152 50 0 GEAARO O=C(NCCc1nnc2n1CCCCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065445064 571001115 /nfs/dbraw/zinc/00/11/15/571001115.db2.gz MGKWIGAYUPPNEP-UHFFFAOYSA-N 1 0 388.560 2.455 50 0 GEAARO COc1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000091289393 571002302 /nfs/dbraw/zinc/00/23/02/571002302.db2.gz GUBVWRSGPLEHSW-IAGOWNOFSA-N 1 0 383.492 2.410 50 0 GEAARO CCCc1nnc(N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)s1 ZINC000091320355 571002957 /nfs/dbraw/zinc/00/29/57/571002957.db2.gz RAFHGTXEBJSWKJ-HNNXBMFYSA-N 1 0 377.558 2.404 50 0 GEAARO [NH3+][C@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)cc1F ZINC000170676227 571008443 /nfs/dbraw/zinc/00/84/43/571008443.db2.gz NZLCGDIPPYJORP-QZTJIDSGSA-N 1 0 388.418 2.171 50 0 GEAARO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)cc1Cl ZINC000091460276 571009423 /nfs/dbraw/zinc/00/94/23/571009423.db2.gz VEYDIGVIVOQLAO-AEFFLSMTSA-N 1 0 396.915 2.284 50 0 GEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000170685077 571010402 /nfs/dbraw/zinc/01/04/02/571010402.db2.gz GPEYNCMLRFHZPE-UHFFFAOYSA-N 1 0 375.488 2.305 50 0 GEAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091536371 571013032 /nfs/dbraw/zinc/01/30/32/571013032.db2.gz WCJPGMAKLXDSQR-LJQANCHMSA-N 1 0 384.524 2.297 50 0 GEAARO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)NCCc1ccccc1 ZINC000091551884 571014344 /nfs/dbraw/zinc/01/43/44/571014344.db2.gz NNPDGIJHIMBCJK-RBBKRZOGSA-N 1 0 378.520 2.337 50 0 GEAARO CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091656116 571023133 /nfs/dbraw/zinc/02/31/33/571023133.db2.gz LWZMHKAIFUXYBV-IBGZPJMESA-N 1 0 384.524 2.297 50 0 GEAARO COc1ccc([C@H]2CN(C(=O)CCNC(=O)c3ccc(C)cc3)C[C@@H]2[NH3+])cc1 ZINC000091665784 571025253 /nfs/dbraw/zinc/02/52/53/571025253.db2.gz JFUBLRUXVQWDBF-UXHICEINSA-N 1 0 381.476 2.077 50 0 GEAARO OC[C@H]1C[N@H+](Cc2ccc3cc(Cl)ccc3n2)C[C@H]1CN1CCOCC1 ZINC000091707066 571027005 /nfs/dbraw/zinc/02/70/05/571027005.db2.gz NNQXNYPBJUKXAA-IAGOWNOFSA-N 1 0 375.900 2.261 50 0 GEAARO O=C(c1ccc(-n2cccn2)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091745730 571028798 /nfs/dbraw/zinc/02/87/98/571028798.db2.gz KRXPGCOJZHPSRW-WOJBJXKFSA-N 1 0 382.508 2.429 50 0 GEAARO CCn1ccnc1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000091745671 571029006 /nfs/dbraw/zinc/02/90/06/571029006.db2.gz CCRRFCJQHZNUAQ-DLBZAZTESA-N 1 0 383.496 2.034 50 0 GEAARO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012778574 571031768 /nfs/dbraw/zinc/03/17/68/571031768.db2.gz PDYVDEIQYMDVMC-UHFFFAOYSA-N 1 0 387.505 2.227 50 0 GEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1nccc1C)CC2 ZINC000091894566 571035160 /nfs/dbraw/zinc/03/51/60/571035160.db2.gz SOGYTGWVHMBEBR-UHFFFAOYSA-N 1 0 384.528 2.481 50 0 GEAARO COc1cc(OC)c(CN2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000091895362 571035196 /nfs/dbraw/zinc/03/51/96/571035196.db2.gz KLKPVMLJTNIARF-IBGZPJMESA-N 1 0 381.904 2.144 50 0 GEAARO CNS(=O)(=O)c1ccc(C)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000012781941 571035340 /nfs/dbraw/zinc/03/53/40/571035340.db2.gz XUFXJVZHRDNZTR-UHFFFAOYSA-N 1 0 381.542 2.288 50 0 GEAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cc(OC)ccn2)CC1 ZINC000091914859 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C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974023 570344519 /nfs/dbraw/zinc/34/45/19/570344519.db2.gz JCGAFRLQTXGZBI-HXUWFJFHSA-N 1 0 380.496 2.274 50 0 GEAARO CCC[NH+]1CCN(C(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000035372253 570344908 /nfs/dbraw/zinc/34/49/08/570344908.db2.gz DYYHQTUVJKIBJQ-UHFFFAOYSA-N 1 0 395.507 2.223 50 0 GEAARO Cc1oc2ncn(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)c2c1C ZINC000035378455 570346774 /nfs/dbraw/zinc/34/67/74/570346774.db2.gz WYCKCKFJUQFULH-UHFFFAOYSA-N 1 0 386.496 2.473 50 0 GEAARO Cc1n[nH]c(C)c1C(=O)N1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000023368287 570357181 /nfs/dbraw/zinc/35/71/81/570357181.db2.gz RKEGBABJFQUBCV-UHFFFAOYSA-N 1 0 385.516 2.470 50 0 GEAARO Cc1cccc(CN2CCC[C@@](O)(CN3CC[NH+](C4CCCC4)CC3)C2=O)c1 ZINC000023374611 570358568 /nfs/dbraw/zinc/35/85/68/570358568.db2.gz VKANTPDVYQQCTD-HSZRJFAPSA-N 1 0 385.552 2.409 50 0 GEAARO O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCC[NH+]1CCCCC1 ZINC000035459712 570364480 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2.008 50 0 GEAARO CC[NH+](CC)Cc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000013002897 570414314 /nfs/dbraw/zinc/41/43/14/570414314.db2.gz LCEGIVPSZXPOQQ-UHFFFAOYSA-N 1 0 395.459 2.367 50 0 GEAARO [NH3+]C[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000238033426 570420551 /nfs/dbraw/zinc/42/05/51/570420551.db2.gz IUSJRJNLQMTKPG-RISCZKNCSA-N 1 0 399.278 2.148 50 0 GEAARO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C ZINC000027132067 570431811 /nfs/dbraw/zinc/43/18/11/570431811.db2.gz BHPIWKRYMMQGGS-OAHLLOKOSA-N 1 0 397.541 2.012 50 0 GEAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000244574802 570435605 /nfs/dbraw/zinc/43/56/05/570435605.db2.gz CRSSBBMYYQBZLV-SFHVURJKSA-N 1 0 383.496 2.333 50 0 GEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2cccc(CC)c2NC1=O ZINC000035877188 570469772 /nfs/dbraw/zinc/46/97/72/570469772.db2.gz HCAAAGBRULONEV-DBHNTLKXSA-N 1 0 381.476 2.276 50 0 GEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)c(C)c2)CC1 ZINC000029375303 570472829 /nfs/dbraw/zinc/47/28/29/570472829.db2.gz CLEOFFHBAHKDEO-UHFFFAOYSA-N 1 0 393.495 2.444 50 0 GEAARO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029484367 570474728 /nfs/dbraw/zinc/47/47/28/570474728.db2.gz ZQIISLJCQHYICV-IBGZPJMESA-N 1 0 387.505 2.495 50 0 GEAARO C[NH+](C)C1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000252489171 570475540 /nfs/dbraw/zinc/47/55/40/570475540.db2.gz JIQWHKFNZBXXCM-UHFFFAOYSA-N 1 0 394.541 2.465 50 0 GEAARO COc1cc(-c2noc(CCC(=O)N(C)[C@@H]3CC[NH2+]C3)n2)cc(Cl)c1OC ZINC000179102083 570483678 /nfs/dbraw/zinc/48/36/78/570483678.db2.gz AWYCHYOPHJOROT-GFCCVEGCSA-N 1 0 394.859 2.160 50 0 GEAARO CN(C(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000188073740 570535282 /nfs/dbraw/zinc/53/52/82/570535282.db2.gz SUZZLUAGZBEAKT-QGZVFWFLSA-N 1 0 398.511 2.452 50 0 GEAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CO)C1)c1ccc2c(c1)OCCCO2 ZINC000034857564 570544748 /nfs/dbraw/zinc/54/47/48/570544748.db2.gz WKOVBXHQEBLHQD-KKSFZXQISA-N 1 0 376.497 2.366 50 0 GEAARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796180 570548937 /nfs/dbraw/zinc/54/89/37/570548937.db2.gz BLXMANQZKSBDTM-HXUWFJFHSA-N 1 0 398.482 2.178 50 0 GEAARO C[NH+]1CCN([C@@H](CNC(=O)NC2CCCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022797231 570550150 /nfs/dbraw/zinc/55/01/50/570550150.db2.gz UUYIHKGWFGDXHU-SFHVURJKSA-N 1 0 388.512 2.336 50 0 GEAARO CC(C)C[NH+]1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000005563259 570550264 /nfs/dbraw/zinc/55/02/64/570550264.db2.gz RLRCOGBISPHOGC-UHFFFAOYSA-N 1 0 387.524 2.428 50 0 GEAARO COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000035421883 570552819 /nfs/dbraw/zinc/55/28/19/570552819.db2.gz PFSXVDNRRSZJDM-UHFFFAOYSA-N 1 0 399.466 2.299 50 0 GEAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035421948 570553285 /nfs/dbraw/zinc/55/32/85/570553285.db2.gz FHYMLAWFKVNKDP-UHFFFAOYSA-N 1 0 389.540 2.285 50 0 GEAARO C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000097617869 570555023 /nfs/dbraw/zinc/55/50/23/570555023.db2.gz UAHZZRLPJQSFTR-UHFFFAOYSA-N 1 0 379.526 2.029 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)Cc1ccccc1 ZINC000032983492 570572056 /nfs/dbraw/zinc/57/20/56/570572056.db2.gz WMMBOCBBXDUEOK-IBGZPJMESA-N 1 0 378.476 2.459 50 0 GEAARO CN(C)C(=O)CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012430606 570659094 /nfs/dbraw/zinc/65/90/94/570659094.db2.gz HBCBJTAMSKSFLD-UHFFFAOYSA-N 1 0 377.504 2.407 50 0 GEAARO C[NH+](C)[C@@H]1CCN(c2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cn2)C1 ZINC000012430406 570659138 /nfs/dbraw/zinc/65/91/38/570659138.db2.gz IPDYGTGDUCNTRV-HXUWFJFHSA-N 1 0 396.539 2.361 50 0 GEAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CN(C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433613 570661300 /nfs/dbraw/zinc/66/13/00/570661300.db2.gz STXGXRMDDJZQIU-LJQANCHMSA-N 1 0 390.528 2.440 50 0 GEAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1)N1CCOCC1 ZINC000017317500 570704453 /nfs/dbraw/zinc/70/44/53/570704453.db2.gz MWCSRYUYTUTLCL-UHFFFAOYSA-N 1 0 382.432 2.276 50 0 GEAARO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012805018 570718423 /nfs/dbraw/zinc/71/84/23/570718423.db2.gz PCALOISXSZAULS-INIZCTEOSA-N 1 0 398.488 2.117 50 0 GEAARO C[N@H+](CCNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000004374249 570720338 /nfs/dbraw/zinc/72/03/38/570720338.db2.gz HWQITQOVHXOHNA-SFHVURJKSA-N 1 0 384.455 2.362 50 0 GEAARO COC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566229 570758577 /nfs/dbraw/zinc/75/85/77/570758577.db2.gz QMWZRJLRSYZWDN-PJIJBLCYSA-N 1 0 387.480 2.454 50 0 GEAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000013776379 570789420 /nfs/dbraw/zinc/78/94/20/570789420.db2.gz OLFWINCXUYWIGW-STZQEDGTSA-N 1 0 388.508 2.222 50 0 GEAARO CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3nc(-c4ccccc4)cs3)CN2C1=O ZINC000014751487 570858779 /nfs/dbraw/zinc/85/87/79/570858779.db2.gz YRTOYPBWDACLGO-JZXOWHBKSA-N 1 0 398.532 2.414 50 0 GEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000014983948 570869755 /nfs/dbraw/zinc/86/97/55/570869755.db2.gz BRROOSYSCAONBV-AWEZNQCLSA-N 1 0 383.448 2.408 50 0 GEAARO O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170613549 570871673 /nfs/dbraw/zinc/87/16/73/570871673.db2.gz SIEBWOKNGWRPHJ-HXUWFJFHSA-N 1 0 396.487 2.408 50 0 GEAARO COCC1CC[NH+](C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000015061882 570874653 /nfs/dbraw/zinc/87/46/53/570874653.db2.gz CFAHGXWORDSPQR-FQEVSTJZSA-N 1 0 382.451 2.177 50 0 GEAARO O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000015068344 570876146 /nfs/dbraw/zinc/87/61/46/570876146.db2.gz FMUDIQMVIYLGPH-IBGZPJMESA-N 1 0 393.495 2.132 50 0 GEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000033267923 570889405 /nfs/dbraw/zinc/88/94/05/570889405.db2.gz TWCSTWKAOCZDIC-UHFFFAOYSA-N 1 0 399.516 2.015 50 0 GEAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Nc1cc(F)c2c(c1)NC(=O)CO2 ZINC000299796206 570896906 /nfs/dbraw/zinc/89/69/06/570896906.db2.gz NYSLSSOCTJPDNV-OAHLLOKOSA-N 1 0 384.411 2.335 50 0 GEAARO CCC(=O)Nc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c(OC)cc1N(C)C ZINC000001230735 570900177 /nfs/dbraw/zinc/90/01/77/570900177.db2.gz HFISOMDMTMMHBS-AWEZNQCLSA-N 1 0 376.501 2.324 50 0 GEAARO Cc1nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc(N(C)C)[nH+]1 ZINC000015671240 570901598 /nfs/dbraw/zinc/90/15/98/570901598.db2.gz WACFEDFFJPYPND-UHFFFAOYSA-N 1 0 395.916 2.015 50 0 GEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OC)cc3OC)c(C)n2)CC1 ZINC000015778105 570903869 /nfs/dbraw/zinc/90/38/69/570903869.db2.gz CDXJQWJBVBHERB-UHFFFAOYSA-N 1 0 385.468 2.196 50 0 GEAARO O=C(NC[C@H](O)Cc1ccccc1)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000534647232 570916805 /nfs/dbraw/zinc/91/68/05/570916805.db2.gz FDVLFCJJCJUTQC-OAQYLSRUSA-N 1 0 383.492 2.259 50 0 GEAARO CC1(C)CC(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)CC(C)(C)[NH2+]1 ZINC000004045031 570924416 /nfs/dbraw/zinc/92/44/16/570924416.db2.gz SUOZLZDHIYWEDK-LPHOPBHVSA-N 1 0 399.491 2.272 50 0 GEAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000047032379 570938831 /nfs/dbraw/zinc/93/88/31/570938831.db2.gz ZNJXIVUXNXKUHG-SFHVURJKSA-N 1 0 375.494 2.096 50 0 GEAARO C[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000124756947 570943197 /nfs/dbraw/zinc/94/31/97/570943197.db2.gz BGFZITFGWZSDSM-QMTHXVAHSA-N 1 0 399.278 2.019 50 0 GEAARO C[NH+]1CCC(NCc2cc3cccnc3n2S(=O)(=O)c2ccccc2)CC1 ZINC000585138591 570951265 /nfs/dbraw/zinc/95/12/65/570951265.db2.gz JOGYOLDKBBNYLJ-UHFFFAOYSA-N 1 0 384.505 2.457 50 0 GEAARO CSCCCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000019217771 570962360 /nfs/dbraw/zinc/96/23/60/570962360.db2.gz FNDPKZJPPWSSOY-IBGZPJMESA-N 1 0 383.602 2.211 50 0 GEAARO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000019225519 570963783 /nfs/dbraw/zinc/96/37/83/570963783.db2.gz WMICEQAOIFWSGM-OAHLLOKOSA-N 1 0 388.468 2.214 50 0 GEAARO C[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)C[C@@H]1C ZINC000107502365 570974601 /nfs/dbraw/zinc/97/46/01/570974601.db2.gz BPONEXQTDFDOEJ-JENIJYKNSA-N 1 0 395.503 2.106 50 0 GEAARO Cc1noc2ncc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000084067951 570994792 /nfs/dbraw/zinc/99/47/92/570994792.db2.gz VXPQPCPRFJOKSZ-UHFFFAOYSA-N 1 0 386.477 2.474 50 0 GEAARO CN1c2ccc(S(=O)(=O)NCC[NH+]3CCCC3)cc2C(=C2CCCC2)C1=O ZINC000045895241 570998932 /nfs/dbraw/zinc/99/89/32/570998932.db2.gz BOVPUUHNCFGVSR-UHFFFAOYSA-N 1 0 389.521 2.365 50 0 GEAARO COc1ccccc1N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002205512 571003227 /nfs/dbraw/zinc/00/32/27/571003227.db2.gz FHGQAVHSGLTWNU-INIZCTEOSA-N 1 0 378.494 2.121 50 0 GEAARO C[C@@H](C(=O)N1CCCC1)[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091425668 571007041 /nfs/dbraw/zinc/00/70/41/571007041.db2.gz KDIBFKRKMOVKLT-IBGZPJMESA-N 1 0 398.551 2.340 50 0 GEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000091474067 571009901 /nfs/dbraw/zinc/00/99/01/571009901.db2.gz XQUZNKFMAQWJJL-LLVKDONJSA-N 1 0 377.436 2.080 50 0 GEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CC2 ZINC000091620967 571018343 /nfs/dbraw/zinc/01/83/43/571018343.db2.gz HWMLDNWBVYZCKA-UHFFFAOYSA-N 1 0 376.464 2.419 50 0 GEAARO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(C)n1 ZINC000091644989 571021851 /nfs/dbraw/zinc/02/18/51/571021851.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 1 0 384.528 2.382 50 0 GEAARO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)[nH]n2)o1 ZINC000091745174 571028399 /nfs/dbraw/zinc/02/83/99/571028399.db2.gz CEFJBKBTCZONQZ-UHFFFAOYSA-N 1 0 380.452 2.321 50 0 GEAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(OC)c(O)c1)CC2 ZINC000091746105 571028937 /nfs/dbraw/zinc/02/89/37/571028937.db2.gz OTOSRUTUXVCNSQ-UHFFFAOYSA-N 1 0 384.480 2.410 50 0 GEAARO Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c(=O)[nH]1 ZINC000091745663 571028949 /nfs/dbraw/zinc/02/89/49/571028949.db2.gz FKGLUPVSSWYHCT-GOSISDBHSA-N 1 0 380.492 2.420 50 0 GEAARO CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nc3ccccc3n1C)CC2 ZINC000091769283 571029768 /nfs/dbraw/zinc/02/97/68/571029768.db2.gz AXVPHWRDZMBYNH-UHFFFAOYSA-N 1 0 378.480 2.192 50 0 GEAARO Cc1ccc(-c2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)cc2)cc1 ZINC000091793290 571031333 /nfs/dbraw/zinc/03/13/33/571031333.db2.gz KGMGHNHQWOXPGA-FGZHOGPDSA-N 1 0 382.504 2.267 50 0 GEAARO COc1cccc(OCc2nnc(SCC[NH+]3CCC(C)CC3)n2N)c1 ZINC000084699945 571031503 /nfs/dbraw/zinc/03/15/03/571031503.db2.gz WTHWYAAWCKBNKI-UHFFFAOYSA-N 1 0 377.514 2.404 50 0 GEAARO CC[N@@H+]1CC[C@@H](CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091892812 571035012 /nfs/dbraw/zinc/03/50/12/571035012.db2.gz FPJYWCFOWJRFMA-AWEZNQCLSA-N 1 0 387.436 2.396 50 0 GEAARO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cnn1C ZINC000091907435 571035500 /nfs/dbraw/zinc/03/55/00/571035500.db2.gz XFQOOJDMENRGEY-NRFANRHFSA-N 1 0 382.512 2.232 50 0 GEAARO OCCC[C@@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@H]1N1CCOCC1 ZINC000091965047 571037917 /nfs/dbraw/zinc/03/79/17/571037917.db2.gz MAIPSNJBPHIMAF-PKTZIBPZSA-N 1 0 398.551 2.227 50 0 GEAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@H]2CCCO)CC1 ZINC000095371435 571061383 /nfs/dbraw/zinc/06/13/83/571061383.db2.gz GVPQLSCXZPMMDZ-MJGOQNOKSA-N 1 0 379.932 2.191 50 0 GEAARO C[N@@H+]1CCN(Cc2ccc(OCc3ccccn3)cc2)C[C@]12CCNC(=O)CC2 ZINC000095378338 571065718 /nfs/dbraw/zinc/06/57/18/571065718.db2.gz NPYHHBNAPSWOPQ-QHCPKHFHSA-N 1 0 394.519 2.447 50 0 GEAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1C ZINC000095379584 571066779 /nfs/dbraw/zinc/06/67/79/571066779.db2.gz BJDBYANUCIIGAG-KRWDZBQOSA-N 1 0 382.516 2.273 50 0 GEAARO COc1cccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095390329 571072284 /nfs/dbraw/zinc/07/22/84/571072284.db2.gz KGTSXJIJNQWROK-CEWLAPEOSA-N 1 0 379.460 2.086 50 0 GEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000095496603 571073924 /nfs/dbraw/zinc/07/39/24/571073924.db2.gz MXXXBIONASIKQF-IBGZPJMESA-N 1 0 378.476 2.482 50 0 GEAARO C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095498690 571075386 /nfs/dbraw/zinc/07/53/86/571075386.db2.gz YYEMAKGZSUNUMF-QGZVFWFLSA-N 1 0 395.503 2.376 50 0 GEAARO CC[NH+]1CCN(CC(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)CC1 ZINC000095508946 571080384 /nfs/dbraw/zinc/08/03/84/571080384.db2.gz XFZFXJNWJJEOGX-UHFFFAOYSA-N 1 0 395.551 2.275 50 0 GEAARO Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c(=O)[nH]1 ZINC000095511967 571082557 /nfs/dbraw/zinc/08/25/57/571082557.db2.gz SSQZSQGYIRAFLO-INIZCTEOSA-N 1 0 386.471 2.244 50 0 GEAARO O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095520796 571086630 /nfs/dbraw/zinc/08/66/30/571086630.db2.gz OWDVWDXCJCDHQC-QZTJIDSGSA-N 1 0 376.522 2.183 50 0 GEAARO COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095525987 571090695 /nfs/dbraw/zinc/09/06/95/571090695.db2.gz MEIXDVXUJLUUMM-IBGZPJMESA-N 1 0 392.540 2.389 50 0 GEAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245548166 231041653 /nfs/dbraw/zinc/04/16/53/231041653.db2.gz NFOPZTMDPROIGN-MBOZVWFJSA-N 1 0 375.513 2.333 50 0 GEAARO CCn1nc(CO)c2c1CCN(C(=O)c1cccc(-c3c[nH+]ccc3N)c1)C2 ZINC000426368239 231208427 /nfs/dbraw/zinc/20/84/27/231208427.db2.gz ITEAULFZKVDUSU-UHFFFAOYSA-N 1 0 377.448 2.068 50 0 GEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426486438 231227155 /nfs/dbraw/zinc/22/71/55/231227155.db2.gz QPHQUNGOBAETLJ-LJQANCHMSA-N 1 0 383.540 2.194 50 0 GEAARO Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000426733961 231256787 /nfs/dbraw/zinc/25/67/87/231256787.db2.gz GAUKZEKDEJNURC-UHFFFAOYSA-N 1 0 380.374 2.231 50 0 GEAARO CN1CCC2(CCN(C(=O)c3cc(F)ccc3OCC[NH3+])CC2)CCC1=O ZINC000426478888 530051266 /nfs/dbraw/zinc/05/12/66/530051266.db2.gz KEXHFWZYRWWJIP-UHFFFAOYSA-N 1 0 377.460 2.028 50 0 GEAARO CCCOc1c(CNCCC[NH2+]CCO)cc(Br)cc1OC ZINC000020968379 531584055 /nfs/dbraw/zinc/58/40/55/531584055.db2.gz SWGFLNKXKYPDNG-UHFFFAOYSA-N 1 0 375.307 2.308 50 0 GEAARO C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000025285328 531613198 /nfs/dbraw/zinc/61/31/98/531613198.db2.gz WGYCKELTZFGHMD-UHFFFAOYSA-N 1 0 381.885 2.432 50 0 GEAARO [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000237954290 532513223 /nfs/dbraw/zinc/51/32/23/532513223.db2.gz UFXJZZFCOKMENN-CHWSQXEVSA-N 1 0 380.286 2.142 50 0 GEAARO OC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260059 532610447 /nfs/dbraw/zinc/61/04/47/532610447.db2.gz IJCOJZDBFCVREH-RHSMWYFYSA-N 1 0 387.293 2.465 50 0 GEAARO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(-c2csnn2)cc1 ZINC000004324899 204037980 /nfs/dbraw/zinc/03/79/80/204037980.db2.gz STZYFNOVOGEQFS-OAHLLOKOSA-N 1 0 385.445 2.463 50 0 GEAARO O=S(=O)(c1cccc2nonc21)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324608 204038554 /nfs/dbraw/zinc/03/85/54/204038554.db2.gz YDCGBDSTHLYBLM-UHFFFAOYSA-N 1 0 386.477 2.162 50 0 GEAARO Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000004734640 204070866 /nfs/dbraw/zinc/07/08/66/204070866.db2.gz RMDRIWNWNISFAX-QFIPXVFZSA-N 1 0 390.487 2.401 50 0 GEAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000004670886 204062449 /nfs/dbraw/zinc/06/24/49/204062449.db2.gz YALLMLMFEGZVMK-UHFFFAOYSA-N 1 0 376.478 2.284 50 0 GEAARO N=c1c2c(ncn1CCN1CCOCC1)Oc1cc(O)ccc1[C@@H]2c1ccco1 ZINC000005346636 204126779 /nfs/dbraw/zinc/12/67/79/204126779.db2.gz VFYOGXCOZKNEPM-GOSISDBHSA-N 1 0 394.431 2.279 50 0 GEAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797296 204206623 /nfs/dbraw/zinc/20/66/23/204206623.db2.gz OLLIUPGNMJPUPU-CALCHBBNSA-N 1 0 395.507 2.418 50 0 GEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797279 204206841 /nfs/dbraw/zinc/20/68/41/204206841.db2.gz FATFJWPDKJWRTD-INIZCTEOSA-N 1 0 381.480 2.030 50 0 GEAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000006806059 204209907 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C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCC[NH2+]CC2)c1)c1ccccc1 ZINC000095376809 571064812 /nfs/dbraw/zinc/06/48/12/571064812.db2.gz CCRRMVWHFXDVQR-MRXNPFEDSA-N 1 0 387.505 2.162 50 0 GEAARO COCc1ncc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095377926 571065186 /nfs/dbraw/zinc/06/51/86/571065186.db2.gz WAWSVTYDZHNQMC-KSEOMHKRSA-N 1 0 380.492 2.391 50 0 GEAARO Cc1ccccc1-c1noc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000095380034 571066751 /nfs/dbraw/zinc/06/67/51/571066751.db2.gz MDAIKYSNAUUYKR-NRFANRHFSA-N 1 0 383.496 2.174 50 0 GEAARO COc1cccc2c1OC[C@H](C(=O)N1CCC([NH+]3CCSCC3)CC1)C2 ZINC000095385177 571069870 /nfs/dbraw/zinc/06/98/70/571069870.db2.gz MGWAXIGDKSHKOX-MRXNPFEDSA-N 1 0 376.522 2.286 50 0 GEAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)ccc1=O ZINC000095386733 571070439 /nfs/dbraw/zinc/07/04/39/571070439.db2.gz QCKBPLFTPWHYNR-OXJNMPFZSA-N 1 0 377.488 2.089 50 0 GEAARO O=C(N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1)C1(O)CCCC1 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COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000408519203 533831308 /nfs/dbraw/zinc/83/13/08/533831308.db2.gz QSWPAPSPCFTVHC-YPMHNXCESA-N 1 0 384.889 2.035 50 0 GEAARO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000269613996 522893936 /nfs/dbraw/zinc/89/39/36/522893936.db2.gz GCPGEAVJOLMPQZ-QWRGUYRKSA-N 1 0 377.304 2.206 50 0 GEAARO CCCNC(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC000426489561 528449789 /nfs/dbraw/zinc/44/97/89/528449789.db2.gz BMPIWLLRFHELMU-OALUTQOASA-N 1 0 388.512 2.198 50 0 GEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000089282922 536145003 /nfs/dbraw/zinc/14/50/03/536145003.db2.gz PQFJOESGTLEELE-SFHVURJKSA-N 1 0 380.496 2.020 50 0 GEAARO C[NH+]1CCN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn43)cn2)CC1 ZINC000095950354 536421086 /nfs/dbraw/zinc/42/10/86/536421086.db2.gz WZTBHRBEBRUNCL-UHFFFAOYSA-N 1 0 384.871 2.065 50 0 GEAARO COc1ccc(C(=O)N2CCC([C@@H](C)[NH+](C)C)CC2)cc1N1CCOCC1 ZINC000091663973 536712529 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COC(=O)[C@@H](CN1CC[NH+](C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1 ZINC000096316093 570228779 /nfs/dbraw/zinc/22/87/79/570228779.db2.gz IPNZWUHFAVPORJ-KSSFIOAISA-N 1 0 393.871 2.065 50 0 GEAARO CC[N@H+](CCc1ccccn1)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000048299262 570233648 /nfs/dbraw/zinc/23/36/48/570233648.db2.gz LTOIFMIXCMJFOW-UHFFFAOYSA-N 1 0 384.436 2.066 50 0 GEAARO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl ZINC000097402551 570243385 /nfs/dbraw/zinc/24/33/85/570243385.db2.gz PDTPDLFYSJHETH-CQSZACIVSA-N 1 0 380.876 2.076 50 0 GEAARO CCOC(=O)c1sc2ccccc2c1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000097572343 570247060 /nfs/dbraw/zinc/24/70/60/570247060.db2.gz UTSYGYKLSDRSIL-STQMWFEESA-N 1 0 377.466 2.217 50 0 GEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C(=O)c3cnn(C)c3)CC1)CC2 ZINC000097636575 570247931 /nfs/dbraw/zinc/24/79/31/570247931.db2.gz WTNRYNSKKMKVLL-UHFFFAOYSA-N 1 0 384.480 2.100 50 0 GEAARO O=C(Cc1cnc[nH]1)N1CCC2(CC[NH+](CC3CCCCC3)CC2)[C@@H](CO)C1 ZINC000097655501 570248990 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GEAARO OCCOc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020600567 570270002 /nfs/dbraw/zinc/27/00/02/570270002.db2.gz BIOFORLIZWSYQL-QFIPXVFZSA-N 1 0 384.520 2.169 50 0 GEAARO C/C=C(\C)C(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600459 570270106 /nfs/dbraw/zinc/27/01/06/570270106.db2.gz XHXMRCGBAARZCZ-XTAKQWGHSA-N 1 0 385.508 2.490 50 0 GEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)N1CCN(c2cccnc2)CC1 ZINC000584901633 570271033 /nfs/dbraw/zinc/27/10/33/570271033.db2.gz LKACPVRKLDSYPB-UHFFFAOYSA-N 1 0 389.569 2.273 50 0 GEAARO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000020687441 570275030 /nfs/dbraw/zinc/27/50/30/570275030.db2.gz OWGQGFKJVFGSTG-UHFFFAOYSA-N 1 0 388.471 2.085 50 0 GEAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(C)cc1C)CC2 ZINC000020777943 570279995 /nfs/dbraw/zinc/27/99/95/570279995.db2.gz AGUKEAGFDUGFRG-QGZVFWFLSA-N 1 0 385.512 2.167 50 0 GEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@H+](CC)CCN(C)C)C2 ZINC000020863979 570282650 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2.485 50 0 GEAARO CN(C)S(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000014681144 570326933 /nfs/dbraw/zinc/32/69/33/570326933.db2.gz UOCQHBNNVVRXEJ-UHFFFAOYSA-N 1 0 381.542 2.321 50 0 GEAARO Cc1ccn2c(=O)cc(C[NH2+]C[C@H](c3ccc(F)cc3)N3CCOCC3)nc2c1 ZINC000022797725 570328190 /nfs/dbraw/zinc/32/81/90/570328190.db2.gz QDGWYEJMEDRRIY-HXUWFJFHSA-N 1 0 396.466 2.305 50 0 GEAARO CC1(C)Cc2cccc(OCC(=O)NCC3CC[NH+]([C@@H]4CCOC4)CC3)c2O1 ZINC000575605177 570328720 /nfs/dbraw/zinc/32/87/20/570328720.db2.gz AKSNHLHIUZBSFT-GOSISDBHSA-N 1 0 388.508 2.396 50 0 GEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022876201 570332486 /nfs/dbraw/zinc/33/24/86/570332486.db2.gz NCEIHDBKSXPZPL-NRFANRHFSA-N 1 0 398.503 2.455 50 0 GEAARO CNC(=O)c1nn(C)c2c1C[C@H]([NH2+]CCN1CCC(c3ccccc3)CC1)CC2 ZINC000022893439 570333291 /nfs/dbraw/zinc/33/32/91/570333291.db2.gz YBFQBEHKVVUIMM-LJQANCHMSA-N 1 0 395.551 2.106 50 0 GEAARO CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022992020 570339922 /nfs/dbraw/zinc/33/99/22/570339922.db2.gz WZDPNNJXFZJSDT-LJQANCHMSA-N 1 0 395.569 2.289 50 0 GEAARO CCCCCC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000034912231 570346290 /nfs/dbraw/zinc/34/62/90/570346290.db2.gz XHAXSUQRFYSMHH-UHFFFAOYSA-N 1 0 379.545 2.129 50 0 GEAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(N(C)C)ncn3)CC2)[C@H]1O ZINC000023367615 570357450 /nfs/dbraw/zinc/35/74/50/570357450.db2.gz APOHXRPCJLOVOM-RTWAWAEBSA-N 1 0 381.524 2.448 50 0 GEAARO OCc1cc(N2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)cc[nH+]1 ZINC000023541853 570364880 /nfs/dbraw/zinc/36/48/80/570364880.db2.gz RGJWLZIGCYQNBF-RTWAWAEBSA-N 1 0 376.460 2.273 50 0 GEAARO CC[N@@H+]1CCC[C@H]1CN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 ZINC000226356217 570375279 /nfs/dbraw/zinc/37/52/79/570375279.db2.gz RINLSZMCNROFFG-KBXCAEBGSA-N 1 0 386.521 2.343 50 0 GEAARO COc1cccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1OC ZINC000022765445 570378257 /nfs/dbraw/zinc/37/82/57/570378257.db2.gz QVYZINJLYWZMNP-KRWDZBQOSA-N 1 0 389.521 2.484 50 0 GEAARO COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1OC ZINC000022765443 570378323 /nfs/dbraw/zinc/37/83/23/570378323.db2.gz QVYZINJLYWZMNP-QGZVFWFLSA-N 1 0 389.521 2.484 50 0 GEAARO Cn1cc([C@@H](NC(=O)C[NH+]2CCC(c3ccccc3)CC2)C2CC(O)C2)cn1 ZINC000220095729 570381761 /nfs/dbraw/zinc/38/17/61/570381761.db2.gz PGWMXRUNMCNMKD-ZNIKRAEXSA-N 1 0 382.508 2.228 50 0 GEAARO CCCCC(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N(C)CCCC)c1 ZINC000035514117 570389333 /nfs/dbraw/zinc/38/93/33/570389333.db2.gz UVQAMSHSRZSZFV-UHFFFAOYSA-N 1 0 375.517 2.492 50 0 GEAARO Cc1ccc(-c2csc3ncn(CCC(=O)N4CC[C@H]([NH3+])C4)c(=O)c23)cc1 ZINC000237688432 570389786 /nfs/dbraw/zinc/38/97/86/570389786.db2.gz MGEDDSQKFBDPRK-HNNXBMFYSA-N 1 0 382.489 2.383 50 0 GEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000222410907 570409895 /nfs/dbraw/zinc/40/98/95/570409895.db2.gz YVNARKJLJDULBP-HXUWFJFHSA-N 1 0 379.464 2.072 50 0 GEAARO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000025417869 570413153 /nfs/dbraw/zinc/41/31/53/570413153.db2.gz NCRSODFNIOAJMC-GJZGRUSLSA-N 1 0 375.494 2.032 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000025421719 570413779 /nfs/dbraw/zinc/41/37/79/570413779.db2.gz QORAGOPNYIVBAY-QGZVFWFLSA-N 1 0 386.496 2.050 50 0 GEAARO CCCn1nc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000025535232 570415255 /nfs/dbraw/zinc/41/52/55/570415255.db2.gz VLUVORDDMGEQRT-HXUWFJFHSA-N 1 0 382.508 2.466 50 0 GEAARO [NH3+]C[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000238033550 570420567 /nfs/dbraw/zinc/42/05/67/570420567.db2.gz IUSJRJNLQMTKPG-BXUZGUMPSA-N 1 0 399.278 2.148 50 0 GEAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064333871 570426935 /nfs/dbraw/zinc/42/69/35/570426935.db2.gz BOLFQRDNJHMMDZ-HOTGVXAUSA-N 1 0 390.434 2.360 50 0 GEAARO C[NH+]1CCN(c2ccccc2NC(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000072280740 570464932 /nfs/dbraw/zinc/46/49/32/570464932.db2.gz PGMOHWLGDWOBBW-UHFFFAOYSA-N 1 0 391.479 2.341 50 0 GEAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000029448581 570473809 /nfs/dbraw/zinc/47/38/09/570473809.db2.gz HBTPNCJUERRPHC-MAUKXSAKSA-N 1 0 388.512 2.131 50 0 GEAARO C[NH+]1CCC(OCCCNC(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000584884595 570473989 /nfs/dbraw/zinc/47/39/89/570473989.db2.gz NHUCOKPIAKYUKZ-UHFFFAOYSA-N 1 0 388.556 2.057 50 0 GEAARO CC[NH+](CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000002990399 570539361 /nfs/dbraw/zinc/53/93/61/570539361.db2.gz HFXBMMGDSDQFGE-UHFFFAOYSA-N 1 0 392.503 2.445 50 0 GEAARO C[NH+]1CCN([C@H](CNC(=O)NC2CCCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022797238 570550163 /nfs/dbraw/zinc/55/01/63/570550163.db2.gz UUYIHKGWFGDXHU-GOSISDBHSA-N 1 0 388.512 2.336 50 0 GEAARO C[NH+]1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000022923799 570576090 /nfs/dbraw/zinc/57/60/90/570576090.db2.gz JMUYPENQGUMBDE-UHFFFAOYSA-N 1 0 391.519 2.457 50 0 GEAARO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C[N@@H+]1C1CC1 ZINC000151903875 570618867 /nfs/dbraw/zinc/61/88/67/570618867.db2.gz YTNOOAMTAMGECK-NKWVEPMBSA-N 1 0 377.313 2.062 50 0 GEAARO O[C@@H](C[NH+]1CCC(O)CC1)CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005127278 570658891 /nfs/dbraw/zinc/65/88/91/570658891.db2.gz SCHHIRRGUHQLIR-HXUWFJFHSA-N 1 0 377.431 2.408 50 0 GEAARO COc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)c1 ZINC000033032772 570670005 /nfs/dbraw/zinc/67/00/05/570670005.db2.gz IFIAEBHFNQAABQ-UHFFFAOYSA-N 1 0 381.476 2.078 50 0 GEAARO CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cn1 ZINC000046345844 570671513 /nfs/dbraw/zinc/67/15/13/570671513.db2.gz ZKPYPDKMQMIDGJ-UHFFFAOYSA-N 1 0 382.464 2.430 50 0 GEAARO O=C(Nc1cccnc1OCC(F)F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179928591 570672409 /nfs/dbraw/zinc/67/24/09/570672409.db2.gz AYDWANOMEDGPIX-UHFFFAOYSA-N 1 0 384.427 2.302 50 0 GEAARO CCOC(=O)CNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012612882 570691119 /nfs/dbraw/zinc/69/11/19/570691119.db2.gz SOMRVNOLPHLROT-GOSISDBHSA-N 1 0 375.513 2.454 50 0 GEAARO CN(CC[NH+]1CCCCC1)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000012712008 570702847 /nfs/dbraw/zinc/70/28/47/570702847.db2.gz YBYZSARXHRVZCY-UHFFFAOYSA-N 1 0 386.452 2.342 50 0 GEAARO COc1ccc(CNCc2cc(C)n(C)n2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012459193 570736563 /nfs/dbraw/zinc/73/65/63/570736563.db2.gz MPFVMQTVYZDDAI-LJQANCHMSA-N 1 0 390.528 2.107 50 0 GEAARO COc1cccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)[NH+]2CCCC2)c1 ZINC000012996086 570739849 /nfs/dbraw/zinc/73/98/49/570739849.db2.gz NIUKNTKCLIXHTD-LJQANCHMSA-N 1 0 392.459 2.499 50 0 GEAARO CC(=O)N(C)c1ccc(NC(=O)C[NH2+]C[C@H]2Cc3ccccc3CN2C)cc1 ZINC000065393583 570764443 /nfs/dbraw/zinc/76/44/43/570764443.db2.gz RVHIOOSCBVDJPM-OAQYLSRUSA-N 1 0 380.492 2.254 50 0 GEAARO O=C(Cc1c[nH]c2ccccc12)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730150 570764605 /nfs/dbraw/zinc/76/46/05/570764605.db2.gz XHOHOLUCXCKJMP-AEFFLSMTSA-N 1 0 390.487 2.108 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)cc2)CC1 ZINC000524735434 570774084 /nfs/dbraw/zinc/77/40/84/570774084.db2.gz CAKNSCBOCVNZHH-SFHVURJKSA-N 1 0 397.508 2.105 50 0 GEAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023000305 570777732 /nfs/dbraw/zinc/77/77/32/570777732.db2.gz VTMKNUUSLWELKE-UHFFFAOYSA-N 1 0 391.493 2.429 50 0 GEAARO O=C(CC[NH+]1CCN(c2ncc(Br)cn2)CC1)Nc1ccccc1 ZINC000052715791 570791407 /nfs/dbraw/zinc/79/14/07/570791407.db2.gz QIRODODILPXHAC-UHFFFAOYSA-N 1 0 390.285 2.390 50 0 GEAARO COc1cccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2=O)c1 ZINC000032755342 570797763 /nfs/dbraw/zinc/79/77/63/570797763.db2.gz RSUPSVVIUFFHBE-FXAWDEMLSA-N 1 0 381.476 2.467 50 0 GEAARO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000032793442 570814762 /nfs/dbraw/zinc/81/47/62/570814762.db2.gz RAEGNTVVGZGSAM-QWHCGFSZSA-N 1 0 377.466 2.020 50 0 GEAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NN2Cc3ccccc3C2=[NH2+])c1 ZINC000101461797 570823041 /nfs/dbraw/zinc/82/30/41/570823041.db2.gz HSDGJDKJJNVXBU-UHFFFAOYSA-N 1 0 386.477 2.203 50 0 GEAARO O=c1c(=O)c(NC2CC[NH+](Cc3ccccc3)CC2)c1NCc1ccccn1 ZINC000101698638 570829193 /nfs/dbraw/zinc/82/91/93/570829193.db2.gz WEJNRIJFGFPKRF-UHFFFAOYSA-N 1 0 376.460 2.366 50 0 GEAARO O=c1cc(C[N@@H+](CCO)Cc2ccccc2)[nH]c2nc(-c3ccccc3)nn21 ZINC000101747196 570832226 /nfs/dbraw/zinc/83/22/26/570832226.db2.gz MPERGHDRAADARY-UHFFFAOYSA-N 1 0 375.432 2.079 50 0 GEAARO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000032815212 570837688 /nfs/dbraw/zinc/83/76/88/570837688.db2.gz PGKIFRWKLIRILS-UHFFFAOYSA-N 1 0 393.553 2.129 50 0 GEAARO CCOCCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014534233 570848142 /nfs/dbraw/zinc/84/81/42/570848142.db2.gz UIXRVFYHIFYLPN-IBGZPJMESA-N 1 0 396.535 2.492 50 0 GEAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014539856 570849059 /nfs/dbraw/zinc/84/90/59/570849059.db2.gz MNRGEIJIAVWOCA-UHFFFAOYSA-N 1 0 384.480 2.053 50 0 GEAARO O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000170593407 570851705 /nfs/dbraw/zinc/85/17/05/570851705.db2.gz JHFUMZGKYAIUDO-GOSISDBHSA-N 1 0 379.464 2.169 50 0 GEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014744801 570858479 /nfs/dbraw/zinc/85/84/79/570858479.db2.gz NASXRYCEZBNLSQ-MRXNPFEDSA-N 1 0 386.471 2.162 50 0 GEAARO COc1cc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc(OC)c1 ZINC000014746833 570858991 /nfs/dbraw/zinc/85/89/91/570858991.db2.gz JRTWNXGPZZKFRM-INIZCTEOSA-N 1 0 398.507 2.320 50 0 GEAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccs1)C2 ZINC000014752235 570859408 /nfs/dbraw/zinc/85/94/08/570859408.db2.gz HNFYBVWFNQPQSS-HNNXBMFYSA-N 1 0 388.537 2.474 50 0 GEAARO COC(=O)CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000014955764 570866270 /nfs/dbraw/zinc/86/62/70/570866270.db2.gz MHAHMGGTVODQKJ-GOSISDBHSA-N 1 0 376.497 2.361 50 0 GEAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1OC ZINC000014969638 570867618 /nfs/dbraw/zinc/86/76/18/570867618.db2.gz SJIBGQVGGSNEKQ-MRXNPFEDSA-N 1 0 386.496 2.388 50 0 GEAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)s1 ZINC000014974461 570867867 /nfs/dbraw/zinc/86/78/67/570867867.db2.gz QSNDSUDWTKXOLF-CQSZACIVSA-N 1 0 383.481 2.278 50 0 GEAARO O=C(NCCCc1ccccn1)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000015069695 570876699 /nfs/dbraw/zinc/87/66/99/570876699.db2.gz JJRXQPXUUHAQIR-UHFFFAOYSA-N 1 0 379.508 2.371 50 0 GEAARO O=C(NCCc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127538 570912330 /nfs/dbraw/zinc/91/23/30/570912330.db2.gz NCBFXZZSZIDUJS-UHFFFAOYSA-N 1 0 385.533 2.435 50 0 GEAARO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc12 ZINC000097019702 570914456 /nfs/dbraw/zinc/91/44/56/570914456.db2.gz MXVAWNZNKOAPKT-HNNXBMFYSA-N 1 0 387.484 2.249 50 0 GEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N(C)Cc3[nH]nc4c3CCC4)cc2C1 ZINC000534654498 570915058 /nfs/dbraw/zinc/91/50/58/570915058.db2.gz DONDXZGCHRFNFI-UHFFFAOYSA-N 1 0 385.516 2.052 50 0 GEAARO COc1cn(CC(=O)NCc2ccc(F)cc2)c(C[NH+]2CCCCC2)cc1=O ZINC000016974362 570920722 /nfs/dbraw/zinc/92/07/22/570920722.db2.gz DIAOKGGZHWCSNH-UHFFFAOYSA-N 1 0 387.455 2.298 50 0 GEAARO CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916197 570927248 /nfs/dbraw/zinc/92/72/48/570927248.db2.gz YRQJWXWLIPAQKG-SFHVURJKSA-N 1 0 396.413 2.111 50 0 GEAARO C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000262666010 570929647 /nfs/dbraw/zinc/92/96/47/570929647.db2.gz KBEFFXQPFQRMFL-VWPFQQQWSA-N 1 0 383.895 2.485 50 0 GEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CC[NH+](C2CCCC2)CC1 ZINC000019217950 570962373 /nfs/dbraw/zinc/96/23/73/570962373.db2.gz KBLNRRZTUWUPEX-JOCHJYFZSA-N 1 0 389.515 2.239 50 0 GEAARO O=C(c1nc2ccccn2c1C[NH2+]CCc1ccccc1F)N1CCOCC1 ZINC000019226416 570963743 /nfs/dbraw/zinc/96/37/43/570963743.db2.gz QZKHQZYLVNYJRC-UHFFFAOYSA-N 1 0 382.439 2.278 50 0 GEAARO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000107145926 570971157 /nfs/dbraw/zinc/97/11/57/570971157.db2.gz WSRPCHFPXLMXTP-SJLPKXTDSA-N 1 0 375.513 2.142 50 0 GEAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511646 570982025 /nfs/dbraw/zinc/98/20/25/570982025.db2.gz IZUIPSQIWPNMNJ-FCEUIQTBSA-N 1 0 398.595 2.181 50 0 GEAARO COCC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCSC1 ZINC000108144571 570984638 /nfs/dbraw/zinc/98/46/38/570984638.db2.gz FIAVDHRVGUGREJ-HKUYNNGSSA-N 1 0 377.554 2.083 50 0 GEAARO OC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091475503 571010466 /nfs/dbraw/zinc/01/04/66/571010466.db2.gz QOXUSCYIYZWMCO-QZTJIDSGSA-N 1 0 386.458 2.450 50 0 GEAARO CCN1CC[C@]2(CN(Cc3ccc(OC)cc3OC)CC[N@@H+]2C)CCC1=O ZINC000091518882 571012287 /nfs/dbraw/zinc/01/22/87/571012287.db2.gz BOOQQXUJRXKZOV-NRFANRHFSA-N 1 0 375.513 2.222 50 0 GEAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000012765755 571015462 /nfs/dbraw/zinc/01/54/62/571015462.db2.gz CGAQYWPXYPQCOD-CYBMUJFWSA-N 1 0 390.461 2.151 50 0 GEAARO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)cc1 ZINC000091596153 571017243 /nfs/dbraw/zinc/01/72/43/571017243.db2.gz HJENGYLYMPGGQH-UHFFFAOYSA-N 1 0 377.853 2.119 50 0 GEAARO COc1c(F)c(F)c(CN2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c(F)c1F ZINC000091616993 571018521 /nfs/dbraw/zinc/01/85/21/571018521.db2.gz ONBOAKQQZWFVOB-SFHVURJKSA-N 1 0 389.393 2.038 50 0 GEAARO CC(C)(C)c1ccc(OCc2ncc(C(=O)N3CC[C@H](C[NH3+])C3)c(=O)[nH]2)cc1 ZINC000091624920 571019276 /nfs/dbraw/zinc/01/92/76/571019276.db2.gz WLVJTUNSPXZZBM-CQSZACIVSA-N 1 0 384.480 2.067 50 0 GEAARO CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000150740078 571023693 /nfs/dbraw/zinc/02/36/93/571023693.db2.gz FFOVXTVZKMCWLC-VQTJNVASSA-N 1 0 376.460 2.221 50 0 GEAARO COc1ccc(Cl)cc1NC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091663875 571024141 /nfs/dbraw/zinc/02/41/41/571024141.db2.gz YYXDLASLUQZKMZ-GOSISDBHSA-N 1 0 380.876 2.167 50 0 GEAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2c(O)ccc3ccccc32)C1 ZINC000091677448 571025463 /nfs/dbraw/zinc/02/54/63/571025463.db2.gz LMPZPBDQEBQPIA-IAGOWNOFSA-N 1 0 386.492 2.194 50 0 GEAARO Cc1ccc(C2(C(=O)N3CC[C@H]([NH+]4CCOCC4)[C@H](CCCO)C3)CC2)cc1 ZINC000091706533 571026824 /nfs/dbraw/zinc/02/68/24/571026824.db2.gz JLDILDNZTXCUPL-CTNGQTDRSA-N 1 0 386.536 2.348 50 0 GEAARO Cc1nnc(SCC(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)o1 ZINC000091755498 571029476 /nfs/dbraw/zinc/02/94/76/571029476.db2.gz XIGGJZCHPVHTHC-UHFFFAOYSA-N 1 0 390.513 2.131 50 0 GEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c(C)nc3ccccn31)CC2 ZINC000091830691 571032309 /nfs/dbraw/zinc/03/23/09/571032309.db2.gz PLJAZWMKOXREIM-UHFFFAOYSA-N 1 0 378.480 2.375 50 0 GEAARO Cn1cc(SCC(=O)N2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000091831189 571032734 /nfs/dbraw/zinc/03/27/34/571032734.db2.gz NLYYDYKLIOQSIE-CVEARBPZSA-N 1 0 375.538 2.289 50 0 GEAARO CC[N@@H+]1CC[C@H](CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091892805 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GEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040063233 132393499 /nfs/dbraw/zinc/39/34/99/132393499.db2.gz VICCOAZGSXMTFB-LJQANCHMSA-N 1 0 379.508 2.474 50 0 GEAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 ZINC000067786678 136164889 /nfs/dbraw/zinc/16/48/89/136164889.db2.gz XYCZIYOOKOERQI-GOSISDBHSA-N 1 0 385.899 2.140 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC000071762037 136166376 /nfs/dbraw/zinc/16/63/76/136166376.db2.gz HNMWWYUROBDESN-QGZVFWFLSA-N 1 0 397.523 2.073 50 0 GEAARO COCCN1C[C@@]2(CCCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)CCC1=O ZINC000077354983 136171962 /nfs/dbraw/zinc/17/19/62/136171962.db2.gz DDWSJXNSHFFROW-HXUWFJFHSA-N 1 0 375.517 2.015 50 0 GEAARO Cc1nc(C(C)C)cc(N2CCC([NH+]3CCN(c4cnccn4)CC3)CC2)n1 ZINC000095531103 136181910 /nfs/dbraw/zinc/18/19/10/136181910.db2.gz UDQXXHOYFIPWDL-UHFFFAOYSA-N 1 0 381.528 2.489 50 0 GEAARO C[C@H]([NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1)c1ccc2c(c1)OCCO2 ZINC000096148591 136184439 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Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022582796 221563728 /nfs/dbraw/zinc/56/37/28/221563728.db2.gz BYXNBXQQNIIPQF-OAQYLSRUSA-N 1 0 394.519 2.347 50 0 GEAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(-c3cn[nH]c3)c2)CC1 ZINC000067884668 222165051 /nfs/dbraw/zinc/16/50/51/222165051.db2.gz HCVLFKRIZSYZAO-UHFFFAOYSA-N 1 0 376.464 2.154 50 0 GEAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1cnc3cc(Cl)ccc3c1O)CC2 ZINC000071315104 222180122 /nfs/dbraw/zinc/18/01/22/222180122.db2.gz IALOGXGIRZHSPO-UHFFFAOYSA-N 1 0 388.899 2.034 50 0 GEAARO COc1ccccc1CCNC(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000426658590 534040941 /nfs/dbraw/zinc/04/09/41/534040941.db2.gz WLSWAQGMCXHRBJ-KRWDZBQOSA-N 1 0 375.513 2.380 50 0 GEAARO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000155086686 534303028 /nfs/dbraw/zinc/30/30/28/534303028.db2.gz IXOJQYSKHCGBEX-QMTHXVAHSA-N 1 0 399.278 2.019 50 0 GEAARO O=C(NCCOCCO)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000426395959 534376242 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CCOc1ccc(NC(=O)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N)cc1 ZINC000071772251 535749610 /nfs/dbraw/zinc/74/96/10/535749610.db2.gz WKVRUQRZVGIZHZ-UHFFFAOYSA-N 1 0 398.511 2.488 50 0 GEAARO CCn1nc(C)c(NC(=O)C[NH2+]C2CCN(c3ccc(Cl)nn3)CC2)c1C ZINC000065383192 536140462 /nfs/dbraw/zinc/14/04/62/536140462.db2.gz OQMCQCMRJUXGAA-UHFFFAOYSA-N 1 0 391.907 2.160 50 0 GEAARO Cn1cc2c(n1)nc(C(=O)NCC[N@H+](C)C1CCCCC1)nc2N1CCCCC1 ZINC000065284489 536386480 /nfs/dbraw/zinc/38/64/80/536386480.db2.gz BYZLLHFHEJKJRY-UHFFFAOYSA-N 1 0 399.543 2.348 50 0 GEAARO CCn1c(CN(C)C)nnc1C1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000096148951 570214543 /nfs/dbraw/zinc/21/45/43/570214543.db2.gz KXZPPJVKFWQFHX-UHFFFAOYSA-N 1 0 390.576 2.332 50 0 GEAARO COc1cccc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)c1 ZINC000096161730 570216695 /nfs/dbraw/zinc/21/66/95/570216695.db2.gz VKCBLVVLSPHSEL-UHFFFAOYSA-N 1 0 385.512 2.036 50 0 GEAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OCC(N)=O)c(OC)c1 ZINC000019874225 570227058 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50 0 GEAARO CC[NH+]1CCN(CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)CC1 ZINC000020451463 570257432 /nfs/dbraw/zinc/25/74/32/570257432.db2.gz GYACFKZYJJDHOO-UHFFFAOYSA-N 1 0 390.434 2.406 50 0 GEAARO CC(C)CC[N@@H+]1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO ZINC000104633575 570260599 /nfs/dbraw/zinc/26/05/99/570260599.db2.gz JBGRPYBKXOBVHN-LJQANCHMSA-N 1 0 386.540 2.041 50 0 GEAARO Cc1cc(C)n(CCCNC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000049592453 570270843 /nfs/dbraw/zinc/27/08/43/570270843.db2.gz XLBGAMYSJVFXMP-GOSISDBHSA-N 1 0 395.511 2.280 50 0 GEAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccccn4)nc3c12 ZINC000020624361 570273090 /nfs/dbraw/zinc/27/30/90/570273090.db2.gz TUVQJUCKPAGWBY-UHFFFAOYSA-N 1 0 391.479 2.480 50 0 GEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCN1CCCCC1)C2 ZINC000020706614 570275176 /nfs/dbraw/zinc/27/51/76/570275176.db2.gz YXAJOLUYKJTLLM-SFHVURJKSA-N 1 0 387.572 2.462 50 0 GEAARO Cc1occc1C(=O)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020995768 570286469 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50 0 GEAARO CC1(C)Cc2cccc(OCC(=O)NCC3CC[NH+]([C@H]4CCOC4)CC3)c2O1 ZINC000575605179 570328895 /nfs/dbraw/zinc/32/88/95/570328895.db2.gz AKSNHLHIUZBSFT-SFHVURJKSA-N 1 0 388.508 2.396 50 0 GEAARO COc1ccccc1CC1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000237145635 570330206 /nfs/dbraw/zinc/33/02/06/570330206.db2.gz GITOMOAKCHBFQI-UHFFFAOYSA-N 1 0 383.496 2.306 50 0 GEAARO CCCn1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)n1 ZINC000022852940 570331456 /nfs/dbraw/zinc/33/14/56/570331456.db2.gz SSJZAIJQECWXAP-JOCHJYFZSA-N 1 0 391.604 2.343 50 0 GEAARO CCOC(=O)N1CCC([N@@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)CC1 ZINC000022919100 570335694 /nfs/dbraw/zinc/33/56/94/570335694.db2.gz BTZHLWYAQCDJHZ-SFHVURJKSA-N 1 0 379.501 2.078 50 0 GEAARO Cn1cc(C[N@@H+]2CCC[C@@H](c3nncn3C)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000023251260 570352548 /nfs/dbraw/zinc/35/25/48/570352548.db2.gz NICBBSRWXKIYCO-MRXNPFEDSA-N 1 0 394.479 2.366 50 0 GEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN1Cc1cccc(Cl)c1 ZINC000023363105 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CHNVXRKPAJGLTJ-OTVXOJSOSA-N 1 0 375.904 2.465 50 0 GEAARO C[NH+]1CCN(c2ccc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000252535684 206142622 /nfs/dbraw/zinc/14/26/22/206142622.db2.gz GOXJZCGQULQEIE-CUWPLCDZSA-N 1 0 380.492 2.075 50 0 GEAARO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000252536741 206143689 /nfs/dbraw/zinc/14/36/89/206143689.db2.gz JKMZAHZSTLHEHF-AWEZNQCLSA-N 1 0 378.423 2.300 50 0 GEAARO Cc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC000240871404 206127376 /nfs/dbraw/zinc/12/73/76/206127376.db2.gz IKIANKIALYWISG-UHFFFAOYSA-N 1 0 379.508 2.410 50 0 GEAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1 ZINC000261492707 206182861 /nfs/dbraw/zinc/18/28/61/206182861.db2.gz QPDHBLYIGCWZBE-GOSISDBHSA-N 1 0 397.523 2.130 50 0 GEAARO [NH3+]CCCOc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cccnc2)cc1 ZINC000299764147 206186661 /nfs/dbraw/zinc/18/66/61/206186661.db2.gz UJYYGUWECUVHHR-FQEVSTJZSA-N 1 0 377.448 2.320 50 0 GEAARO O=C(c1cn(C2CC[NH+](C/C=C/c3ccccc3)CC2)nn1)N1CCOCC1 ZINC000299772319 206188520 /nfs/dbraw/zinc/18/85/20/206188520.db2.gz YFDQBPMKRGNLAC-QPJJXVBHSA-N 1 0 381.480 2.101 50 0 GEAARO CC(C)=CC[N@H+]1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1 ZINC000299770321 206189282 /nfs/dbraw/zinc/18/92/82/206189282.db2.gz PUDFQDIZNGLLJK-UHFFFAOYSA-N 1 0 375.423 2.311 50 0 GEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2nc(N)nc3c2CCCC3)C1 ZINC000299788907 206190952 /nfs/dbraw/zinc/19/09/52/206190952.db2.gz VKMJEMAJCWVTAG-MRXNPFEDSA-N 1 0 379.508 2.465 50 0 GEAARO COC(=O)c1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000058170326 136154883 /nfs/dbraw/zinc/15/48/83/136154883.db2.gz VPHDTZMYCNIADT-INIZCTEOSA-N 1 0 397.475 2.427 50 0 GEAARO Cc1cc(C)cc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1 ZINC000065365216 136163754 /nfs/dbraw/zinc/16/37/54/136163754.db2.gz IXAZCSMPZXRLIM-UHFFFAOYSA-N 1 0 384.484 2.472 50 0 GEAARO CCc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)nc(C)n1 ZINC000072447682 136170859 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386.540 2.009 50 0 GEAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(C)[nH+]1 ZINC000064800510 535530780 /nfs/dbraw/zinc/53/07/80/535530780.db2.gz BOCPJMJNSZIDRH-UHFFFAOYSA-N 1 0 395.916 2.381 50 0 GEAARO CC[NH+](CC)CCc1nnc(NC(=O)N2CCC[C@H]2c2nc(C)no2)s1 ZINC000019720641 570211268 /nfs/dbraw/zinc/21/12/68/570211268.db2.gz IIHBCSBROJQLMC-LBPRGKRZSA-N 1 0 379.490 2.483 50 0 GEAARO CC(=O)Nc1ccc2n(C)c(-c3ccc(OC(=O)N4CCOCC4)cc3)c[n+]2c1 ZINC000000633446 570212073 /nfs/dbraw/zinc/21/20/73/570212073.db2.gz KKBJDLFBPCRHMP-UHFFFAOYSA-O 1 0 395.439 2.220 50 0 GEAARO O=C1[C@@H]2CCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000000641745 570213691 /nfs/dbraw/zinc/21/36/91/570213691.db2.gz YJDGHWRHLXXFDP-KRWDZBQOSA-N 1 0 376.888 2.279 50 0 GEAARO COc1ccccc1C[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000096150057 570214832 /nfs/dbraw/zinc/21/48/32/570214832.db2.gz CIGDXRAZSPGCBP-UHFFFAOYSA-N 1 0 385.512 2.036 50 0 GEAARO COc1cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1OCC(F)(F)F ZINC000111372395 570215836 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GEAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)[C@H]1O ZINC000020110090 570240621 /nfs/dbraw/zinc/24/06/21/570240621.db2.gz ZROPGDXWAUMDNG-UXHICEINSA-N 1 0 380.492 2.050 50 0 GEAARO CCC(=O)Nc1cc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)ccc1OC ZINC000097480409 570244952 /nfs/dbraw/zinc/24/49/52/570244952.db2.gz JPOAQECSVFBRIP-HOTGVXAUSA-N 1 0 376.457 2.028 50 0 GEAARO OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1Cc1ccccc1 ZINC000020208753 570247968 /nfs/dbraw/zinc/24/79/68/570247968.db2.gz MSQDHZVFAOQBEU-HXUWFJFHSA-N 1 0 377.492 2.336 50 0 GEAARO CC(C)c1cc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)nc2ncnn21 ZINC000097660586 570248846 /nfs/dbraw/zinc/24/88/46/570248846.db2.gz WSPMVJSVMDGYDA-HNNXBMFYSA-N 1 0 378.480 2.424 50 0 GEAARO Cn1nnc(-c2cccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000097785604 570256058 /nfs/dbraw/zinc/25/60/58/570256058.db2.gz IPPIJHVMKDYIPH-SFHVURJKSA-N 1 0 377.452 2.273 50 0 GEAARO CNC(=O)[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584901481 570271114 /nfs/dbraw/zinc/27/11/14/570271114.db2.gz TUTBLPYKMFKZQF-GOSISDBHSA-N 1 0 376.476 2.100 50 0 GEAARO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)CC1 ZINC000020608812 570271591 /nfs/dbraw/zinc/27/15/91/570271591.db2.gz ICCRNZGCFQYCTI-CYBMUJFWSA-N 1 0 379.526 2.236 50 0 GEAARO CCCNC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020996899 570286710 /nfs/dbraw/zinc/28/67/10/570286710.db2.gz FDAXUMXODHNYDG-SFHVURJKSA-N 1 0 388.512 2.117 50 0 GEAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCC3CCCCC3)co2)CC1 ZINC000034677478 570294155 /nfs/dbraw/zinc/29/41/55/570294155.db2.gz DBUFIWYLMMMCQV-SFHVURJKSA-N 1 0 392.544 2.263 50 0 GEAARO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](CC(C)(C)O)CC3)n2)cc1C ZINC000034677862 570294458 /nfs/dbraw/zinc/29/44/58/570294458.db2.gz VQYBGDBYSGJUIC-UHFFFAOYSA-N 1 0 386.496 2.432 50 0 GEAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCC[NH+](C)C)c2cc1C ZINC000032944953 570299901 /nfs/dbraw/zinc/29/99/01/570299901.db2.gz QHNWGDXYAXIEMG-LBPRGKRZSA-N 1 0 384.402 2.271 50 0 GEAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684664 570301820 /nfs/dbraw/zinc/30/18/20/570301820.db2.gz AAVCRWMJOYELBK-QGZVFWFLSA-N 1 0 378.948 2.453 50 0 GEAARO O[C@H](COCc1cccs1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022036581 570302657 /nfs/dbraw/zinc/30/26/57/570302657.db2.gz BPPDREYZJZGLNQ-KRWDZBQOSA-N 1 0 390.505 2.172 50 0 GEAARO COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237080068 570327350 /nfs/dbraw/zinc/32/73/50/570327350.db2.gz KHOAGNKYJXXCIY-UHFFFAOYSA-N 1 0 395.866 2.284 50 0 GEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000237206304 570334995 /nfs/dbraw/zinc/33/49/95/570334995.db2.gz TVQUNPRIMUSJND-LBPRGKRZSA-N 1 0 391.331 2.386 50 0 GEAARO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000022932408 570337215 /nfs/dbraw/zinc/33/72/15/570337215.db2.gz ZQDWZEZWGHJZHH-HNNXBMFYSA-N 1 0 386.521 2.300 50 0 GEAARO CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022992022 570339873 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ZINC000015550477 571018646 /nfs/dbraw/zinc/01/86/46/571018646.db2.gz FTEGQVHCGYAORY-KRWDZBQOSA-N 1 0 390.459 2.398 50 0 GEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)CC1 ZINC000019639028 571022051 /nfs/dbraw/zinc/02/20/51/571022051.db2.gz AXTRYXSXSQUXII-INIZCTEOSA-N 1 0 391.541 2.443 50 0 GEAARO Cn1ccc2c1cccc2C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091931760 571036397 /nfs/dbraw/zinc/03/63/97/571036397.db2.gz JCECWAODJAQVMV-XLIONFOSSA-N 1 0 385.508 2.114 50 0 GEAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091997584 571039506 /nfs/dbraw/zinc/03/95/06/571039506.db2.gz AZTDMVAAWDQTHV-OAHLLOKOSA-N 1 0 385.430 2.464 50 0 GEAARO Cc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCOCC3)[C@H](CCCO)C1)OCCO2 ZINC000092046355 571042617 /nfs/dbraw/zinc/04/26/17/571042617.db2.gz XAJSXOQNAUVCKE-QUCCMNQESA-N 1 0 390.524 2.061 50 0 GEAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](CCCn1cnnn1)CC2 ZINC000092062285 571043441 /nfs/dbraw/zinc/04/34/41/571043441.db2.gz HGPALJLZZIRUIB-XBXARRHUSA-N 1 0 380.496 2.091 50 0 GEAARO Cc1cccc(CS(=O)(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095361274 571055526 /nfs/dbraw/zinc/05/55/26/571055526.db2.gz QPUOUUXVSBHFNU-IBGZPJMESA-N 1 0 390.553 2.463 50 0 GEAARO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 ZINC000095362675 571056332 /nfs/dbraw/zinc/05/63/32/571056332.db2.gz YGKXGEYLFAYHGN-KRWDZBQOSA-N 1 0 379.526 2.122 50 0 GEAARO Cc1cnn(CC(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095374379 571063126 /nfs/dbraw/zinc/06/31/26/571063126.db2.gz QRDAUZZBJUVVED-MTNREXPMSA-N 1 0 394.475 2.009 50 0 GEAARO Cc1ccc(C2(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)CC2)cc1 ZINC000095375022 571063525 /nfs/dbraw/zinc/06/35/25/571063525.db2.gz GTGMKNBPXBJODA-IRLDBZIGSA-N 1 0 399.579 2.264 50 0 GEAARO NC(=O)COc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000095381856 571068219 /nfs/dbraw/zinc/06/82/19/571068219.db2.gz JGGHECBDRLYEDS-UYAOXDASSA-N 1 0 393.487 2.287 50 0 GEAARO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095385266 571069977 /nfs/dbraw/zinc/06/99/77/571069977.db2.gz FBFYWAHJYVRRLN-AZUAARDMSA-N 1 0 381.524 2.488 50 0 GEAARO Cc1cc(C)n(CC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095388384 571071144 /nfs/dbraw/zinc/07/11/44/571071144.db2.gz DUOBDHXOWIRSGK-KSEOMHKRSA-N 1 0 380.492 2.294 50 0 GEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccc(Cl)cn3c1F)C2 ZINC000095388899 571071575 /nfs/dbraw/zinc/07/15/75/571071575.db2.gz REQORVQEPODXBS-TZMCWYRMSA-N 1 0 380.851 2.310 50 0 GEAARO C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC[NH+](C)C)c1)C1=CCCCC1 ZINC000095388673 571071721 /nfs/dbraw/zinc/07/17/21/571071721.db2.gz BXKINUOHSQCAHD-HNNXBMFYSA-N 1 0 379.526 2.145 50 0 GEAARO CNC(=O)CN(C)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095499562 571075397 /nfs/dbraw/zinc/07/53/97/571075397.db2.gz PCGDDLVLBATCMY-SFHVURJKSA-N 1 0 397.947 2.134 50 0 GEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(SC)nc1)CC2 ZINC000095506849 571079601 /nfs/dbraw/zinc/07/96/01/571079601.db2.gz YSSXKSREKNENBC-UHFFFAOYSA-N 1 0 386.525 2.321 50 0 GEAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](C1CSCCSC1)CC2 ZINC000095517604 571084714 /nfs/dbraw/zinc/08/47/14/571084714.db2.gz JHCZQYDOAYMMMU-UHFFFAOYSA-N 1 0 392.594 2.344 50 0 GEAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(O)c1)CC2 ZINC000095524229 571089587 /nfs/dbraw/zinc/08/95/87/571089587.db2.gz OSMNRIQHHGVVEL-UHFFFAOYSA-N 1 0 387.524 2.118 50 0 GEAARO O=C(CCO)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095524163 571089606 /nfs/dbraw/zinc/08/96/06/571089606.db2.gz MYHRHJKVTRYBGU-QFIPXVFZSA-N 1 0 386.536 2.256 50 0 GEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095524608 571089697 /nfs/dbraw/zinc/08/96/97/571089697.db2.gz YJDVOWVBEXMXHI-GOSISDBHSA-N 1 0 388.475 2.480 50 0 GEAARO Cc1cc(N)n(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095529835 571092482 /nfs/dbraw/zinc/09/24/82/571092482.db2.gz TWTDAERPALNEBP-VLCRHTCISA-N 1 0 379.508 2.171 50 0 GEAARO COc1cc(OC)c([C@H](N)[C@@H]([NH3+])c2c(OC)cc(OC)cc2OC)c(OC)c1 ZINC000095532364 571093819 /nfs/dbraw/zinc/09/38/19/571093819.db2.gz UKDRWEJXQLAQQL-PMACEKPBSA-N 1 0 392.452 2.438 50 0 GEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2c(F)cc(F)cc2Br)n1 ZINC000031820288 642491106 /nfs/dbraw/zinc/49/11/06/642491106.db2.gz SCEBQDCIIUMPIU-UHFFFAOYSA-N 1 0 390.213 2.413 50 0 GEAARO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000888101578 654066243 /nfs/dbraw/zinc/06/62/43/654066243.db2.gz JSVJIEATIOGVET-MRXNPFEDSA-N 1 0 375.881 2.361 50 0 GEAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1)N1CCOCC1 ZINC000245613583 231041038 /nfs/dbraw/zinc/04/10/38/231041038.db2.gz LYWLPZXYLIJOHE-RTWAWAEBSA-N 1 0 388.508 2.458 50 0 GEAARO C[C@H](Oc1ccccc1-c1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(N)=O ZINC000426369947 231209002 /nfs/dbraw/zinc/20/90/02/231209002.db2.gz NZGRXLXLMVDCLL-INIZCTEOSA-N 1 0 381.476 2.432 50 0 GEAARO Cc1ccc(OCCNC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc1C ZINC000426373567 231209873 /nfs/dbraw/zinc/20/98/73/231209873.db2.gz DQMQYYSUEBSNRD-IBGZPJMESA-N 1 0 375.513 2.170 50 0 GEAARO CCn1c(CCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)nc2ccccc21 ZINC000426525810 231235085 /nfs/dbraw/zinc/23/50/85/231235085.db2.gz FDAYTADPDAXJFJ-INIZCTEOSA-N 1 0 380.496 2.079 50 0 GEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000426583998 231243638 /nfs/dbraw/zinc/24/36/38/231243638.db2.gz JQEKKYGCCWHIQE-QGZVFWFLSA-N 1 0 385.487 2.228 50 0 GEAARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000426428369 529780463 /nfs/dbraw/zinc/78/04/63/529780463.db2.gz YYFMDNIWEGYFDE-GOSISDBHSA-N 1 0 383.544 2.252 50 0 GEAARO CC[N@H+](CCCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1ccccc1 ZINC000007006263 531534831 /nfs/dbraw/zinc/53/48/31/531534831.db2.gz AVAFMFSWAKCJFO-UHFFFAOYSA-N 1 0 381.523 2.038 50 0 GEAARO C[C@@H]1C[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000017246953 531573099 /nfs/dbraw/zinc/57/30/99/531573099.db2.gz WDJDDDDGZZYKJP-IIAWOOMASA-N 1 0 388.302 2.315 50 0 GEAARO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2cc(F)c(F)cc21 ZINC000155496765 531686408 /nfs/dbraw/zinc/68/64/08/531686408.db2.gz VGDHEJLEUFWCTL-RNCFNFMXSA-N 1 0 384.370 2.410 50 0 GEAARO COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000048290868 531728537 /nfs/dbraw/zinc/72/85/37/531728537.db2.gz QATDACRYKHHZFU-LBPRGKRZSA-N 1 0 391.331 2.468 50 0 GEAARO C[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000134172458 532251010 /nfs/dbraw/zinc/25/10/10/532251010.db2.gz JYWBOCZWOCCERT-HOTGVXAUSA-N 1 0 382.302 2.227 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000652384771 532511319 /nfs/dbraw/zinc/51/13/19/532511319.db2.gz MWCMCSMJQFJYPI-VMGRFDJRSA-N 1 0 388.917 2.398 50 0 GEAARO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000134158788 209116599 /nfs/dbraw/zinc/11/65/99/209116599.db2.gz KOKRFYHWJNTQRF-QWHCGFSZSA-N 1 0 380.286 2.012 50 0 GEAARO Cc1cc(COc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2Br)no1 ZINC000132680467 209113604 /nfs/dbraw/zinc/11/36/04/209113604.db2.gz YEBNHZLPXKPSCP-GFCCVEGCSA-N 1 0 380.242 2.498 50 0 GEAARO Cc1cc(=O)c(C(=O)N(C)C2CC[NH2+]CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000125466367 209111280 /nfs/dbraw/zinc/11/12/80/209111280.db2.gz OCQBRCJUILNWDJ-UHFFFAOYSA-N 1 0 394.397 2.384 50 0 GEAARO C[NH2+]C[C@H]1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)C1 ZINC000328595760 206231192 /nfs/dbraw/zinc/23/11/92/206231192.db2.gz DRDGAKKFWMQLTH-PWDRBQJJSA-N 1 0 394.504 2.468 50 0 GEAARO COc1ccccc1N1CC[NH+](CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000000641749 206310289 /nfs/dbraw/zinc/31/02/89/206310289.db2.gz COHPQAOBLGNNRV-SFHVURJKSA-N 1 0 386.496 2.024 50 0 GEAARO Cn1c2ncn(CC[NH+](Cc3ccccc3)Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000000640971 206310680 /nfs/dbraw/zinc/31/06/80/206310680.db2.gz XUVSWUUNYSIEFL-UHFFFAOYSA-N 1 0 389.459 2.126 50 0 GEAARO COc1ccc([C@@H](CNC(=O)Cn2nnc3ccccc32)[NH+]2CCCC2)cc1 ZINC000012924909 206953889 /nfs/dbraw/zinc/95/38/89/206953889.db2.gz AAUBUDZNJXOKGF-HXUWFJFHSA-N 1 0 379.464 2.393 50 0 GEAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+]([C@@H]4CCSC4)CC3)C2=O)cc1 ZINC000014543223 207023297 /nfs/dbraw/zinc/02/32/97/207023297.db2.gz BBOHFJSXKGKFGI-MRXNPFEDSA-N 1 0 389.521 2.429 50 0 GEAARO COC(=O)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539787 207023743 /nfs/dbraw/zinc/02/37/43/207023743.db2.gz YVGPCRHCRHTBDX-INIZCTEOSA-N 1 0 390.528 2.175 50 0 GEAARO O=S(=O)(c1cccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1)N1CCOCC1 ZINC000014248098 207018231 /nfs/dbraw/zinc/01/82/31/207018231.db2.gz MGAZFWWJLPSSPI-CALCHBBNSA-N 1 0 395.550 2.211 50 0 GEAARO O=C(NCCc1c[nH]cn1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731604 207026346 /nfs/dbraw/zinc/02/63/46/207026346.db2.gz BZOFLOWHSHKDEF-UONOGXRCSA-N 1 0 396.413 2.392 50 0 GEAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([NH2+]Cc1ccon1)C2 ZINC000014744036 207028170 /nfs/dbraw/zinc/02/81/70/207028170.db2.gz AMRISXRZDHQJOB-OAHLLOKOSA-N 1 0 383.427 2.124 50 0 GEAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1=NNC(=O)CC1 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CCc1ccc([C@H](Cn2c(=O)[nH]c3cc(C(=O)OC)ccc3c2=O)[NH+](C)C)cc1 ZINC000024940119 570399233 /nfs/dbraw/zinc/39/92/33/570399233.db2.gz RJLLHHNNOIXDPC-IBGZPJMESA-N 1 0 395.459 2.342 50 0 GEAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000005156719 570436886 /nfs/dbraw/zinc/43/68/86/570436886.db2.gz OLFWINCXUYWIGW-QIJUGHKUSA-N 1 0 388.508 2.222 50 0 GEAARO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)[NH+]1CCCCCC1 ZINC000011898753 570444450 /nfs/dbraw/zinc/44/44/50/570444450.db2.gz AXKXFVSEEGSJPP-GOSISDBHSA-N 1 0 388.537 2.436 50 0 GEAARO O=c1n(CN2CC[NH+](Cc3csc4ccccc34)CC2)nc2ccccn21 ZINC000028707369 570463237 /nfs/dbraw/zinc/46/32/37/570463237.db2.gz JGSXIWQLCQPUON-UHFFFAOYSA-N 1 0 379.489 2.486 50 0 GEAARO C[NH2+]C[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000178978432 570464593 /nfs/dbraw/zinc/46/45/93/570464593.db2.gz CEGPIEFKICZAMH-KRWDZBQOSA-N 1 0 378.538 2.458 50 0 GEAARO COc1ccc(/C=C/C(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)cc1OC ZINC000042380912 570466744 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CCSCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082098106 208080400 /nfs/dbraw/zinc/08/04/00/208080400.db2.gz WNWXYYWYKDMHQM-QGZVFWFLSA-N 1 0 381.586 2.455 50 0 GEAARO CN(C)c1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC000082115663 208080872 /nfs/dbraw/zinc/08/08/72/208080872.db2.gz DQVYRNJVDRFTMH-JOCHJYFZSA-N 1 0 386.540 2.159 50 0 GEAARO O=S(=O)(NCc1cc2n(n1)CCC[NH2+]C2)c1cc(Cl)c(Cl)s1 ZINC000082147668 208081873 /nfs/dbraw/zinc/08/18/73/208081873.db2.gz QKIAKTHOZSSMBB-UHFFFAOYSA-N 1 0 381.310 2.223 50 0 GEAARO C/C=C/CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082134622 208083009 /nfs/dbraw/zinc/08/30/09/208083009.db2.gz UBWHDTJZCPZVGV-DCKQQPRJSA-N 1 0 384.524 2.367 50 0 GEAARO Cc1ccc2[nH]c(CN3CC[C@](O)(C[NH+]4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548155 208122317 /nfs/dbraw/zinc/12/23/17/208122317.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 1 0 386.540 2.475 50 0 GEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc(Cn4ccnc4)o3)cc2C1 ZINC000091746903 208135932 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535521623 /nfs/dbraw/zinc/52/16/23/535521623.db2.gz JWOBSNCQEWYHNN-UHFFFAOYSA-N 1 0 397.451 2.006 50 0 GEAARO Cc1nc(NC(=O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)sc1C ZINC000048263200 570224956 /nfs/dbraw/zinc/22/49/56/570224956.db2.gz XGIGOXNFHWCOKY-UHFFFAOYSA-N 1 0 394.463 2.285 50 0 GEAARO O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(F)cc1 ZINC000011697859 570226260 /nfs/dbraw/zinc/22/62/60/570226260.db2.gz MMRLOEGQLAWSMJ-UHFFFAOYSA-N 1 0 388.428 2.145 50 0 GEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cc4ccccc4oc3=O)cn2)CC1 ZINC000048290589 570228802 /nfs/dbraw/zinc/22/88/02/570228802.db2.gz RBFCXNOSQGUENK-UHFFFAOYSA-N 1 0 392.459 2.260 50 0 GEAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCNC(=O)c3cnccn3)cc2)C1 ZINC000048302551 570234932 /nfs/dbraw/zinc/23/49/32/570234932.db2.gz OSSREDSYUZTGOF-INIZCTEOSA-N 1 0 381.480 2.467 50 0 GEAARO COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1C ZINC000048355950 570244549 /nfs/dbraw/zinc/24/45/49/570244549.db2.gz BQUZKLULBWIUQA-UHFFFAOYSA-N 1 0 384.480 2.418 50 0 GEAARO COCC[N@@H+]1CCCN(C(=O)CCCOc2ccc(C(C)=O)cc2OC)CC1 ZINC000048428012 570250973 /nfs/dbraw/zinc/25/09/73/570250973.db2.gz FATALYDVZWRHHM-UHFFFAOYSA-N 1 0 392.496 2.238 50 0 GEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000048955865 570255456 /nfs/dbraw/zinc/25/54/56/570255456.db2.gz HKSHRNXVNQNNMT-QZTJIDSGSA-N 1 0 389.544 2.085 50 0 GEAARO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000236886941 570275535 /nfs/dbraw/zinc/27/55/35/570275535.db2.gz MOAJXXXJLIWQMS-GOSISDBHSA-N 1 0 376.476 2.342 50 0 GEAARO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000024753243 570290097 /nfs/dbraw/zinc/29/00/97/570290097.db2.gz FHKWEKUBBZLRAY-AWEZNQCLSA-N 1 0 390.447 2.218 50 0 GEAARO CN(Cc1cccc2cccnc21)C(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000102762959 570292099 /nfs/dbraw/zinc/29/20/99/570292099.db2.gz DLSQRGYGTJRQED-PMOLBWCYSA-N 1 0 375.476 2.305 50 0 GEAARO Cn1c2ccccc2cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1=O ZINC000216130350 570296376 /nfs/dbraw/zinc/29/63/76/570296376.db2.gz RHYGVXPBBUDTEI-UHFFFAOYSA-N 1 0 376.460 2.328 50 0 GEAARO Cc1cccc2c(=O)n(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000012929467 570298757 /nfs/dbraw/zinc/29/87/57/570298757.db2.gz BKUOAUDCWYGRHL-GOSISDBHSA-N 1 0 376.460 2.096 50 0 GEAARO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1N(C)S(C)(=O)=O ZINC000106235778 570306386 /nfs/dbraw/zinc/30/63/86/570306386.db2.gz FAIUQPDPMUFGMI-OAHLLOKOSA-N 1 0 381.542 2.243 50 0 GEAARO Cn1nc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c2c1cccc2Cl ZINC000107414033 570309630 /nfs/dbraw/zinc/30/96/30/570309630.db2.gz MHWICUQAPBWFJV-LJQANCHMSA-N 1 0 375.904 2.013 50 0 GEAARO COCCN1CC[C@@]2(CN(CCc3cccc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000107418755 570310052 /nfs/dbraw/zinc/31/00/52/570310052.db2.gz NNPWACVGKHIXQL-OAQYLSRUSA-N 1 0 377.504 2.013 50 0 GEAARO O=C(CCn1c(=O)oc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023642404 570328945 /nfs/dbraw/zinc/32/89/45/570328945.db2.gz CEGRUPXDXBNRDQ-UHFFFAOYSA-N 1 0 387.480 2.136 50 0 GEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000237149526 570330233 /nfs/dbraw/zinc/33/02/33/570330233.db2.gz NNNXZKPSMYMRKH-HNNXBMFYSA-N 1 0 394.397 2.384 50 0 GEAARO CNC(=O)c1cccc(NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)c1C ZINC000044174324 570333167 /nfs/dbraw/zinc/33/31/67/570333167.db2.gz JAPJGUKZQDTNFP-XLIONFOSSA-N 1 0 398.507 2.388 50 0 GEAARO CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237227772 570339558 /nfs/dbraw/zinc/33/95/58/570339558.db2.gz IMMRUZRHDKNDOV-HIFRSBDPSA-N 1 0 386.414 2.293 50 0 GEAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@H]4C=CS(=O)(=O)C4)CC3)c2)n1 ZINC000023191696 570349311 /nfs/dbraw/zinc/34/93/11/570349311.db2.gz GBZNBZAYWXLYQO-SFHVURJKSA-N 1 0 384.505 2.321 50 0 GEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000219831242 570376160 /nfs/dbraw/zinc/37/61/60/570376160.db2.gz GMCULKDLDAUJKG-FQEVSTJZSA-N 1 0 379.464 2.072 50 0 GEAARO Cn1cc([C@H](NC(=O)C[NH+]2CCC(c3ccccc3)CC2)C2CC(O)C2)cn1 ZINC000220095817 570381800 /nfs/dbraw/zinc/38/18/00/570381800.db2.gz PGWMXRUNMCNMKD-ZOGYUUGASA-N 1 0 382.508 2.228 50 0 GEAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000005149753 570427983 /nfs/dbraw/zinc/42/79/83/570427983.db2.gz VVTXFFMXWKCHPH-OAHLLOKOSA-N 1 0 387.484 2.350 50 0 GEAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000247981686 570433211 /nfs/dbraw/zinc/43/32/11/570433211.db2.gz HBTPNCJUERRPHC-CRAIPNDOSA-N 1 0 388.512 2.131 50 0 GEAARO NC(=O)c1cccc(NC(=O)c2ccc(CN3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000244646943 570436111 /nfs/dbraw/zinc/43/61/11/570436111.db2.gz GSEGZOMAUAOWPC-FQEVSTJZSA-N 1 0 378.476 2.318 50 0 GEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000011817045 570436247 /nfs/dbraw/zinc/43/62/47/570436247.db2.gz HCVVQPOLGCZHQD-SFHVURJKSA-N 1 0 384.528 2.362 50 0 GEAARO CCCCN1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccc(C)c(C)c4NC3=O)[C@H]2C1=O ZINC000248242656 570450528 /nfs/dbraw/zinc/45/05/28/570450528.db2.gz PCCPNCHLBHQKNC-QNFHRHJVSA-N 1 0 381.476 2.330 50 0 GEAARO C[NH2+]C[C@H]1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000178978422 570464575 /nfs/dbraw/zinc/46/45/75/570464575.db2.gz CEGPIEFKICZAMH-QGZVFWFLSA-N 1 0 378.538 2.458 50 0 GEAARO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000328661107 570470521 /nfs/dbraw/zinc/47/05/21/570470521.db2.gz AALHGPWISLXQAU-UHFFFAOYSA-N 1 0 384.505 2.190 50 0 GEAARO CS(=O)(=O)NCCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000252500437 570476761 /nfs/dbraw/zinc/47/67/61/570476761.db2.gz SVRJAJAXGKXXPM-UHFFFAOYSA-N 1 0 387.505 2.453 50 0 GEAARO COc1ccccc1CN1CCN(c2nc(C[NH+]3CCCCC3)cc(=O)[nH]2)CC1 ZINC000035925338 570479578 /nfs/dbraw/zinc/47/95/78/570479578.db2.gz DMFGTMNAEDGBAK-UHFFFAOYSA-N 1 0 397.523 2.087 50 0 GEAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006604551 570495703 /nfs/dbraw/zinc/49/57/03/570495703.db2.gz KMLOKWKEATVKFK-KRWDZBQOSA-N 1 0 380.448 2.402 50 0 GEAARO COc1ccc(N2C[C@@H](NC(=O)NCC[N@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000005191513 570499356 /nfs/dbraw/zinc/49/93/56/570499356.db2.gz GABNQQVMKAASCB-SFHVURJKSA-N 1 0 396.491 2.232 50 0 GEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007539801 570507774 /nfs/dbraw/zinc/50/77/74/570507774.db2.gz SLDIVJWEVLKUSK-UHFFFAOYSA-N 1 0 379.779 2.224 50 0 GEAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COCc1ccco1 ZINC000036095034 570534550 /nfs/dbraw/zinc/53/45/50/570534550.db2.gz JIDYHQXKPIGEFP-KRWDZBQOSA-N 1 0 379.453 2.323 50 0 GEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1 ZINC000036097109 570535503 /nfs/dbraw/zinc/53/55/03/570535503.db2.gz JGUQVQNKWKEGJI-QGZVFWFLSA-N 1 0 379.453 2.323 50 0 GEAARO Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)ccc1F ZINC000022767195 570544167 /nfs/dbraw/zinc/54/41/67/570544167.db2.gz ISKUXXFTCADKTC-GOSISDBHSA-N 1 0 397.541 2.463 50 0 GEAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(F)c2)c1 ZINC000035421856 570552765 /nfs/dbraw/zinc/55/27/65/570552765.db2.gz LPLYUEFWDRENGJ-UHFFFAOYSA-N 1 0 399.466 2.299 50 0 GEAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000032970908 570554725 /nfs/dbraw/zinc/55/47/25/570554725.db2.gz GERBDWKMJJQCEQ-INIZCTEOSA-N 1 0 395.550 2.144 50 0 GEAARO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010279602 570567726 /nfs/dbraw/zinc/56/77/26/570567726.db2.gz WURXDPMXUQVQOG-UHFFFAOYSA-N 1 0 393.553 2.385 50 0 GEAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccccc2)CC3)c(C)o1 ZINC000011788999 570582949 /nfs/dbraw/zinc/58/29/49/570582949.db2.gz NRJFWKBICKQVMH-UHFFFAOYSA-N 1 0 379.464 2.476 50 0 GEAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CN2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788703 570582965 /nfs/dbraw/zinc/58/29/65/570582965.db2.gz HNLLIUUYIYZGPJ-MSOLQXFVSA-N 1 0 389.540 2.468 50 0 GEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782462 570589572 /nfs/dbraw/zinc/58/95/72/570589572.db2.gz OOTVNWXNEGTETP-HNNXBMFYSA-N 1 0 384.455 2.384 50 0 GEAARO CCCn1ncc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039379871 570590179 /nfs/dbraw/zinc/59/01/79/570590179.db2.gz NSSOIMLYDGEQAG-JOCHJYFZSA-N 1 0 391.604 2.343 50 0 GEAARO O=C(CCc1cccnc1)NCc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000011980014 570596670 /nfs/dbraw/zinc/59/66/70/570596670.db2.gz UXLFQGINGFZMTF-UHFFFAOYSA-N 1 0 396.520 2.042 50 0 GEAARO C[NH+](C)C[C@H]1CCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225638605 570597261 /nfs/dbraw/zinc/59/72/61/570597261.db2.gz LUKPFPQRZZUTQO-LJQANCHMSA-N 1 0 376.545 2.165 50 0 GEAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCN1CCOCC1 ZINC000012052559 570601457 /nfs/dbraw/zinc/60/14/57/570601457.db2.gz ABSXCKLBJKDHMV-UHFFFAOYSA-N 1 0 391.531 2.261 50 0 GEAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccn2C)CC1 ZINC000036341877 570626036 /nfs/dbraw/zinc/62/60/36/570626036.db2.gz TXAMFNGETASBFY-OAQYLSRUSA-N 1 0 397.498 2.479 50 0 GEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCn2cncn2)C1 ZINC000012209828 570626539 /nfs/dbraw/zinc/62/65/39/570626539.db2.gz PYOFZXSCJZZMGD-SFHVURJKSA-N 1 0 385.512 2.090 50 0 GEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000012305633 570638709 /nfs/dbraw/zinc/63/87/09/570638709.db2.gz MJENIYMNTAJWMS-UHFFFAOYSA-N 1 0 384.528 2.364 50 0 GEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 ZINC000012319033 570642321 /nfs/dbraw/zinc/64/23/21/570642321.db2.gz BJURIQYONKSEOJ-FQEVSTJZSA-N 1 0 375.419 2.312 50 0 GEAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000012373291 570648688 /nfs/dbraw/zinc/64/86/88/570648688.db2.gz BVEAERRVFLIJPQ-HNNXBMFYSA-N 1 0 387.402 2.048 50 0 GEAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012430314 570658438 /nfs/dbraw/zinc/65/84/38/570658438.db2.gz CEUBCYYHMCLPQC-MRXNPFEDSA-N 1 0 396.451 2.001 50 0 GEAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000062580128 570670479 /nfs/dbraw/zinc/67/04/79/570670479.db2.gz BOLFQRDNJHMMDZ-CVEARBPZSA-N 1 0 390.434 2.360 50 0 GEAARO C[N@@H+]1CCN(CCNC(=O)CCc2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 ZINC000036389779 570671053 /nfs/dbraw/zinc/67/10/53/570671053.db2.gz IPCLKSWKNQOXSU-FQEVSTJZSA-N 1 0 395.503 2.453 50 0 GEAARO COCCn1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1=O ZINC000036392215 570675149 /nfs/dbraw/zinc/67/51/49/570675149.db2.gz KKLJFJFKMXVTAD-QGZVFWFLSA-N 1 0 398.507 2.052 50 0 GEAARO NC(=O)CCn1cc(C[NH2+]C[C@H]2CCCN(C(=O)C3CC3)C2)c2ccccc21 ZINC000055090822 570682587 /nfs/dbraw/zinc/68/25/87/570682587.db2.gz OPSXSQOYEOGNCW-MRXNPFEDSA-N 1 0 382.508 2.255 50 0 GEAARO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012578063 570682814 /nfs/dbraw/zinc/68/28/14/570682814.db2.gz WMQYFTHZAIXXAQ-GOSISDBHSA-N 1 0 391.471 2.343 50 0 GEAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000012706471 570700568 /nfs/dbraw/zinc/70/05/68/570700568.db2.gz SRHAUZDVDYSTJF-UHFFFAOYSA-N 1 0 384.480 2.364 50 0 GEAARO O=C(NCCC[NH+]1CCCCCC1)c1nc(Cn2c(=O)oc3ccccc32)no1 ZINC000065111655 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Cc1cc(C)n(-c2cc(N3CC[NH+](CCO)CC3)nc(-c3ccccc3)n2)n1 ZINC000020567504 207203385 /nfs/dbraw/zinc/20/33/85/207203385.db2.gz SVOOVPPXNOQMJQ-UHFFFAOYSA-N 1 0 378.480 2.060 50 0 GEAARO Cc1cc(C)nc(CC[NH2+]Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)n1 ZINC000020911595 207218826 /nfs/dbraw/zinc/21/88/26/207218826.db2.gz KDSMBPAVAAROLP-UHFFFAOYSA-N 1 0 386.887 2.429 50 0 GEAARO CCCC[N@H+](CC)CCNC(=O)C1CCN(c2ncnc3onc(C)c32)CC1 ZINC000020944873 207221090 /nfs/dbraw/zinc/22/10/90/207221090.db2.gz IKOSZRGYZSUYEP-UHFFFAOYSA-N 1 0 388.516 2.381 50 0 GEAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(C)c1)CC2 ZINC000020994870 207222897 /nfs/dbraw/zinc/22/28/97/207222897.db2.gz UOEMGMILBUSSKA-LJQANCHMSA-N 1 0 399.539 2.495 50 0 GEAARO Cc1nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793683 207238258 /nfs/dbraw/zinc/23/82/58/207238258.db2.gz JMDAKHBCNNVNBC-UHFFFAOYSA-N 1 0 395.463 2.076 50 0 GEAARO OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1CCc1ccccc1 ZINC000022932526 207264610 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O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013942860 207004538 /nfs/dbraw/zinc/00/45/38/207004538.db2.gz GXGCQHUXLFQTPQ-UHFFFAOYSA-N 1 0 379.932 2.391 50 0 GEAARO CCOC(=O)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014542755 207024329 /nfs/dbraw/zinc/02/43/29/207024329.db2.gz RZQDIAHBFYBIQB-QGZVFWFLSA-N 1 0 398.507 2.092 50 0 GEAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]CC(C)(C)CO)C2 ZINC000014731751 207026377 /nfs/dbraw/zinc/02/63/77/207026377.db2.gz DCGPRJLEUXNUKR-HNNXBMFYSA-N 1 0 388.512 2.234 50 0 GEAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000014879018 207031442 /nfs/dbraw/zinc/03/14/42/207031442.db2.gz JUUDCXQXHXBDND-DEKXCNBGSA-N 1 0 383.496 2.359 50 0 GEAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000014958303 207032768 /nfs/dbraw/zinc/03/27/68/207032768.db2.gz SLFQURHBMMFYMB-INIZCTEOSA-N 1 0 386.496 2.388 50 0 GEAARO CC(C)c1ccc(C[NH+]2CCC(n3cc(C(=O)NCCCO)nn3)CC2)cc1 ZINC000014968994 207035854 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2.379 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(C)C ZINC000031211569 207379840 /nfs/dbraw/zinc/37/98/40/207379840.db2.gz AEAVHDLEVFFGHB-GOSISDBHSA-N 1 0 381.542 2.105 50 0 GEAARO C[N@@H+]1CCCN(CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)CC1 ZINC000032590302 207396397 /nfs/dbraw/zinc/39/63/97/207396397.db2.gz NCOGKMWXGBVSAT-UHFFFAOYSA-N 1 0 390.434 2.406 50 0 GEAARO C[C@H](CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)[NH+]1CCCC1 ZINC000035373768 207487687 /nfs/dbraw/zinc/48/76/87/207487687.db2.gz UAAVPIUIRXUWDC-QGZVFWFLSA-N 1 0 395.507 2.424 50 0 GEAARO O=C(NCCc1cccc(C(F)(F)F)c1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065370925 207866459 /nfs/dbraw/zinc/86/64/59/207866459.db2.gz UGCLAHBRNMOCAA-AWEZNQCLSA-N 1 0 381.402 2.269 50 0 GEAARO Cc1sc2nc(CC[NH3+])nc(NCc3cccnc3-n3cncn3)c2c1C ZINC000065384976 207867675 /nfs/dbraw/zinc/86/76/75/207867675.db2.gz YUSODRKDWYLSKR-UHFFFAOYSA-N 1 0 380.481 2.397 50 0 GEAARO CN1c2ccccc2[C@@](CC(=O)N2CCC([NH3+])CC2)(Cc2ccccc2)C1=O ZINC000071756994 207955398 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396.535 2.085 50 0 GEAARO O=C(c1cccc2cnccc21)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091951247 208143464 /nfs/dbraw/zinc/14/34/64/208143464.db2.gz VCKMBTDQGIVYDF-NQIIRXRSSA-N 1 0 383.492 2.170 50 0 GEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091997364 208144508 /nfs/dbraw/zinc/14/45/08/208144508.db2.gz DIZQFJAGDWVJSZ-LXTVHRRPSA-N 1 0 384.879 2.269 50 0 GEAARO CS(=O)(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC000091965504 208144542 /nfs/dbraw/zinc/14/45/42/208144542.db2.gz DMHBOKQIBFBHDD-CRAIPNDOSA-N 1 0 380.535 2.120 50 0 GEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)cc1O)CC2 ZINC000095354487 208156908 /nfs/dbraw/zinc/15/69/08/208156908.db2.gz FGFSQNQRLBYWNU-UHFFFAOYSA-N 1 0 393.915 2.452 50 0 GEAARO CC(C)[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H]1NC(=O)N(C)C ZINC000095507582 208207128 /nfs/dbraw/zinc/20/71/28/208207128.db2.gz FCEQEVRKASEXRD-RBUKOAKNSA-N 1 0 390.528 2.246 50 0 GEAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCc3ccc(C)c(C)c3)C2)cn1 ZINC000095392272 208177922 /nfs/dbraw/zinc/17/79/22/208177922.db2.gz SSCLAMWZWVBALZ-MOPGFXCFSA-N 1 0 380.492 2.487 50 0 GEAARO CS(=O)(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cc1 ZINC000095391631 208178073 /nfs/dbraw/zinc/17/80/73/208178073.db2.gz AAYYMSDKUINTDC-IEBWSBKVSA-N 1 0 378.538 2.165 50 0 GEAARO C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095508622 208210099 /nfs/dbraw/zinc/21/00/99/208210099.db2.gz YYEMAKGZSUNUMF-KRWDZBQOSA-N 1 0 395.503 2.376 50 0 GEAARO COc1ccc(CC[NH+]2CCC(CN(C)S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000095509487 208210394 /nfs/dbraw/zinc/21/03/94/208210394.db2.gz FBHXGLJJGNUEKA-UHFFFAOYSA-N 1 0 395.569 2.222 50 0 GEAARO COc1ccc(CN2CCOC(C)(C)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497636 208197264 /nfs/dbraw/zinc/19/72/64/208197264.db2.gz RWNUKWOBGLGGFP-GOSISDBHSA-N 1 0 378.513 2.142 50 0 GEAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cn(CCO)nc1C)CC2 ZINC000095499144 208198111 /nfs/dbraw/zinc/19/81/11/208198111.db2.gz UDQBXENWRSIQON-UHFFFAOYSA-N 1 0 386.544 2.056 50 0 GEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000095500338 208202623 /nfs/dbraw/zinc/20/26/23/208202623.db2.gz BEGZWQJZMYJXGK-IBGZPJMESA-N 1 0 377.452 2.183 50 0 GEAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCOC(C)(C)C2)cc1OC ZINC000095510872 208212365 /nfs/dbraw/zinc/21/23/65/208212365.db2.gz YYZAXRMCKXIOLH-SFHVURJKSA-N 1 0 380.529 2.388 50 0 GEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000095521897 208218680 /nfs/dbraw/zinc/21/86/80/208218680.db2.gz XHNUIFVUGCESPU-MRXNPFEDSA-N 1 0 381.484 2.126 50 0 GEAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]n1 ZINC000095520525 208220674 /nfs/dbraw/zinc/22/06/74/208220674.db2.gz MMBDYPBHDXHSLC-KRWDZBQOSA-N 1 0 382.508 2.378 50 0 GEAARO Cc1ccc([C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@H]2[NH+](C)C)cc1 ZINC000095525477 208222739 /nfs/dbraw/zinc/22/27/39/208222739.db2.gz AYNSFECJGVNWMK-RBUKOAKNSA-N 1 0 376.460 2.173 50 0 GEAARO COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525865 208223181 /nfs/dbraw/zinc/22/31/81/208223181.db2.gz UWYMTAGWVMDGIX-LJQANCHMSA-N 1 0 388.512 2.276 50 0 GEAARO CCc1nc(C)ccc1OCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000095527297 208226493 /nfs/dbraw/zinc/22/64/93/208226493.db2.gz CMGGBIZTIMKXLT-UHFFFAOYSA-N 1 0 383.496 2.060 50 0 GEAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000096141200 208271285 /nfs/dbraw/zinc/27/12/85/208271285.db2.gz ZZDRZRNRVGHCHJ-UHFFFAOYSA-N 1 0 380.452 2.168 50 0 GEAARO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000095963623 208245848 /nfs/dbraw/zinc/24/58/48/208245848.db2.gz YSCNBYDLUZZNNQ-UHFFFAOYSA-N 1 0 390.509 2.424 50 0 GEAARO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000095995522 208251831 /nfs/dbraw/zinc/25/18/31/208251831.db2.gz LYEUVLODHPQWPC-RHSMWYFYSA-N 1 0 397.541 2.330 50 0 GEAARO NC(=O)c1cccc(NC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000096136548 208269620 /nfs/dbraw/zinc/26/96/20/208269620.db2.gz KYVGPVWMSDLAJO-HXUWFJFHSA-N 1 0 378.476 2.493 50 0 GEAARO NC(=O)c1cccc(NC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000096136547 208270002 /nfs/dbraw/zinc/27/00/02/208270002.db2.gz KYVGPVWMSDLAJO-FQEVSTJZSA-N 1 0 378.476 2.493 50 0 GEAARO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)no2)cc1 ZINC000096210155 208285593 /nfs/dbraw/zinc/28/55/93/208285593.db2.gz HFFBWSKMHSVBGH-QGZVFWFLSA-N 1 0 384.480 2.180 50 0 GEAARO CCOC(=O)CN1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@@H](CO)C1 ZINC000097532482 208357679 /nfs/dbraw/zinc/35/76/79/208357679.db2.gz MFPQVXKYVDATDX-HXUWFJFHSA-N 1 0 386.536 2.113 50 0 GEAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccc(-n2cnnc2)n1 ZINC000097743163 208362441 /nfs/dbraw/zinc/36/24/41/208362441.db2.gz MWZGMQSRNQBTLE-LJQANCHMSA-N 1 0 390.491 2.347 50 0 GEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cccc(-n3cnnc3)n2)C1 ZINC000097813749 208364187 /nfs/dbraw/zinc/36/41/87/208364187.db2.gz ZCNUQYFUIIYYPE-QGZVFWFLSA-N 1 0 376.464 2.190 50 0 GEAARO CCOc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Br ZINC000236860604 208396828 /nfs/dbraw/zinc/39/68/28/208396828.db2.gz MQXLMXUIRXZKEA-UHFFFAOYSA-N 1 0 377.304 2.220 50 0 GEAARO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000237926610 208468338 /nfs/dbraw/zinc/46/83/38/208468338.db2.gz ZCSZDVDTZTXPHT-BLLLJJGKSA-N 1 0 385.917 2.127 50 0 GEAARO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000020927654 208818733 /nfs/dbraw/zinc/81/87/33/208818733.db2.gz BDLLTXTXFRQXDH-UHFFFAOYSA-N 1 0 399.310 2.437 50 0 GEAARO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022794929 208853426 /nfs/dbraw/zinc/85/34/26/208853426.db2.gz GSOJVFJCJKTKNQ-LJQANCHMSA-N 1 0 381.476 2.442 50 0 GEAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225565631 208960298 /nfs/dbraw/zinc/96/02/98/208960298.db2.gz HYJOQOWOLZWSPF-UHFFFAOYSA-N 1 0 391.537 2.354 50 0 GEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000121791381 209095809 /nfs/dbraw/zinc/09/58/09/209095809.db2.gz ZMDYJYAAAMTZEX-GXFFZTMASA-N 1 0 389.315 2.195 50 0 GEAARO O=C1CO[C@H](CNc2ncccc2Cl)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299801288 209093999 /nfs/dbraw/zinc/09/39/99/209093999.db2.gz YONBBYGPVACCAT-QGZVFWFLSA-N 1 0 392.931 2.496 50 0 GEAARO CCCn1ncnc1[C@@H](C)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000299803186 209094009 /nfs/dbraw/zinc/09/40/09/209094009.db2.gz ZMTYZHWBQDTWCB-GOSISDBHSA-N 1 0 384.528 2.386 50 0 GEAARO COc1ccc(N2C[C@H](NC(=O)NCC[N@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000005191508 220841674 /nfs/dbraw/zinc/84/16/74/220841674.db2.gz GABNQQVMKAASCB-GOSISDBHSA-N 1 0 396.491 2.232 50 0 GEAARO COc1cncc([C@H](NC(=O)CC[NH+]2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)c1 ZINC000244712729 209021479 /nfs/dbraw/zinc/02/14/79/209021479.db2.gz KVRROIMJSLMKMK-ZWCUEREDSA-N 1 0 381.476 2.424 50 0 GEAARO Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)cc1F ZINC000241897355 209022071 /nfs/dbraw/zinc/02/20/71/209022071.db2.gz TYAONIJEKKUQQD-UHFFFAOYSA-N 1 0 395.478 2.421 50 0 GEAARO COCCn1c(CN(C)Cc2ccnc3ccccc23)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882726 209024503 /nfs/dbraw/zinc/02/45/03/209024503.db2.gz XXKLUGVEVFEFSA-CALCHBBNSA-N 1 0 380.496 2.309 50 0 GEAARO Cc1ccc(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)c(OCCC[NH3+])c1 ZINC000299801091 209090388 /nfs/dbraw/zinc/09/03/88/209090388.db2.gz XRWYMYDXLKRFJQ-UHFFFAOYSA-N 1 0 395.503 2.250 50 0 GEAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012553767 221205662 /nfs/dbraw/zinc/20/56/62/221205662.db2.gz RWLDHCGIMQXDSC-SFHVURJKSA-N 1 0 393.553 2.092 50 0 GEAARO CC[NH+]1CCN(c2cc(CNC(=O)c3ccc(OC)cc3OC)ccn2)CC1 ZINC000064417189 136156714 /nfs/dbraw/zinc/15/67/14/136156714.db2.gz HVGMQSKVAACCFL-UHFFFAOYSA-N 1 0 384.480 2.171 50 0 GEAARO COc1ccc(CCS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070922224 136165320 /nfs/dbraw/zinc/16/53/20/136165320.db2.gz CYNUMGOOPBRUCP-UHFFFAOYSA-N 1 0 389.521 2.469 50 0 GEAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1)N1CCOCC1 ZINC000071714638 136165743 /nfs/dbraw/zinc/16/57/43/136165743.db2.gz HHXVIESZZQKLJW-INIZCTEOSA-N 1 0 392.931 2.275 50 0 GEAARO Cc1ccc(N2CCC([N@@H+]3CCN[C@@H](C(=O)NC4CC4)C3)CC2)cc1Cl ZINC000072170532 136167420 /nfs/dbraw/zinc/16/74/20/136167420.db2.gz DFBZPXWJZZYVGQ-LJQANCHMSA-N 1 0 376.932 2.170 50 0 GEAARO [NH3+]C1(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000072168795 136167488 /nfs/dbraw/zinc/16/74/88/136167488.db2.gz WPJGFYPXROMPDG-KRWDZBQOSA-N 1 0 396.457 2.310 50 0 GEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ncnc3c1CCC3)C2 ZINC000077357818 136171883 /nfs/dbraw/zinc/17/18/83/136171883.db2.gz MZXPOQNNVNXEAI-HMFYCAOWSA-N 1 0 386.540 2.309 50 0 GEAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000089314169 136175595 /nfs/dbraw/zinc/17/55/95/136175595.db2.gz NCGSWECIHTWABX-KRWDZBQOSA-N 1 0 389.459 2.104 50 0 GEAARO Cc1cc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3O)CC2)cc(C)[nH+]1 ZINC000091305028 136176302 /nfs/dbraw/zinc/17/63/02/136176302.db2.gz AOIPJBPILVRXRA-UHFFFAOYSA-N 1 0 390.447 2.218 50 0 GEAARO Cc1cc2c(ncnc2N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)s1 ZINC000091725559 136177048 /nfs/dbraw/zinc/17/70/48/136177048.db2.gz AEOHGNOPYMCLRV-WBVHZDCISA-N 1 0 376.526 2.299 50 0 GEAARO Cc1cc(C)nc(N2CCC([NH2+]CCc3nc(-c4cccnc4)no3)CC2)n1 ZINC000095392004 136178956 /nfs/dbraw/zinc/17/89/56/136178956.db2.gz BTPGPZAKKJIXTG-UHFFFAOYSA-N 1 0 379.468 2.340 50 0 GEAARO Cc1cccc(N2CCN(CC[N@@H+](CC(=O)N(C)C3CC3)CC3CC3)CC2)c1 ZINC000095456046 136179271 /nfs/dbraw/zinc/17/92/71/136179271.db2.gz LGMSOTDBQJEYDK-UHFFFAOYSA-N 1 0 384.568 2.450 50 0 GEAARO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000095453079 136179288 /nfs/dbraw/zinc/17/92/88/136179288.db2.gz SYRADECJLMSCIO-HNNXBMFYSA-N 1 0 385.430 2.322 50 0 GEAARO COc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1N1CCOCC1 ZINC000095502904 136180000 /nfs/dbraw/zinc/18/00/00/136180000.db2.gz VDBLSABQSJXYBP-PKOBYXMFSA-N 1 0 375.513 2.190 50 0 GEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000095512663 136180623 /nfs/dbraw/zinc/18/06/23/136180623.db2.gz AWAMSSGWYVXBRG-LJQANCHMSA-N 1 0 379.512 2.469 50 0 GEAARO CN1CCN(c2cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)ccn2)CC1 ZINC000095958570 136182756 /nfs/dbraw/zinc/18/27/56/136182756.db2.gz QOCIMQVEYFZEHJ-UHFFFAOYSA-N 1 0 383.496 2.026 50 0 GEAARO C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237511612 136192240 /nfs/dbraw/zinc/19/22/40/136192240.db2.gz YBCFYFKMHUMSSC-KBXCAEBGSA-N 1 0 375.488 2.354 50 0 GEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000007451838 136195332 /nfs/dbraw/zinc/19/53/32/136195332.db2.gz GDRUBOXQXHALBX-UHFFFAOYSA-N 1 0 395.463 2.076 50 0 GEAARO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000408519202 533831508 /nfs/dbraw/zinc/83/15/08/533831508.db2.gz QSWPAPSPCFTVHC-DGCLKSJQSA-N 1 0 384.889 2.035 50 0 GEAARO O=C(NCCOCCO)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000426395960 534376825 /nfs/dbraw/zinc/37/68/25/534376825.db2.gz OAGMGZCGSJFXAQ-OAQYLSRUSA-N 1 0 375.513 2.083 50 0 GEAARO CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426563543 528073781 /nfs/dbraw/zinc/07/37/81/528073781.db2.gz VMPXEJDDGGUMJC-HXUWFJFHSA-N 1 0 379.451 2.306 50 0 GEAARO CCN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426489856 529121306 /nfs/dbraw/zinc/12/13/06/529121306.db2.gz CHQYIWAVFOGPQM-FQEVSTJZSA-N 1 0 379.451 2.258 50 0 GEAARO CCCCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000065363235 535335235 /nfs/dbraw/zinc/33/52/35/535335235.db2.gz PPWAEDPUGMVYIJ-UHFFFAOYSA-N 1 0 381.546 2.027 50 0 GEAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(c3cnccn3)CC2)c1 ZINC000096164880 535849281 /nfs/dbraw/zinc/84/92/81/535849281.db2.gz AJXNYKOEKBBTEH-UHFFFAOYSA-N 1 0 383.496 2.158 50 0 GEAARO CN1CC[NH+]([C@H]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCCO)CC1 ZINC000091808385 536417775 /nfs/dbraw/zinc/41/77/75/536417775.db2.gz GUHWPPGDOCCGFE-CVEARBPZSA-N 1 0 386.462 2.315 50 0 GEAARO COc1ccc(C(=O)N2CCC([C@H](C)[NH+](C)C)CC2)cc1N1CCOCC1 ZINC000091663972 536711861 /nfs/dbraw/zinc/71/18/61/536711861.db2.gz CJPAODSHLUFRJZ-INIZCTEOSA-N 1 0 375.513 2.334 50 0 GEAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(-n3cncn3)nc2)[NH+](C)C)c1 ZINC000048132806 570219144 /nfs/dbraw/zinc/21/91/44/570219144.db2.gz ZCNHVNYRFBWKJZ-QGZVFWFLSA-N 1 0 381.440 2.095 50 0 GEAARO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000053211290 570233856 /nfs/dbraw/zinc/23/38/56/570233856.db2.gz OUFITQNPBJSBQB-IBGZPJMESA-N 1 0 393.553 2.037 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000048361989 570244430 /nfs/dbraw/zinc/24/44/30/570244430.db2.gz GVATUWCGNGTQRN-SFHVURJKSA-N 1 0 375.488 2.159 50 0 GEAARO COc1cc(CN2CCN(Cc3cccc(O)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104452230 570258442 /nfs/dbraw/zinc/25/84/42/570258442.db2.gz LBGKYZCLBNRORU-LJQANCHMSA-N 1 0 386.492 2.478 50 0 GEAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000049580929 570271123 /nfs/dbraw/zinc/27/11/23/570271123.db2.gz KCDYXTYJVFKYAZ-OAHLLOKOSA-N 1 0 393.509 2.277 50 0 GEAARO Cc1c2cccc(C)c2n(C)c1C(=O)NCC[C@H]1CCC(=O)N1CC[NH+](C)C ZINC000214962817 570283368 /nfs/dbraw/zinc/28/33/68/570283368.db2.gz AZPLBGBJOZXQQV-QGZVFWFLSA-N 1 0 384.524 2.468 50 0 GEAARO COc1ccc(CNc2nn3c(nc(C[NH+]4CCCCC4)cc3=O)[nH]2)cc1OC ZINC000101796709 570284054 /nfs/dbraw/zinc/28/40/54/570284054.db2.gz LAASQMGYBSEYAF-UHFFFAOYSA-N 1 0 398.467 2.033 50 0 GEAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CO)C1)c1ccc2c(c1)OCCCO2 ZINC000012890506 570285834 /nfs/dbraw/zinc/28/58/34/570285834.db2.gz WKOVBXHQEBLHQD-IERDGZPVSA-N 1 0 376.497 2.366 50 0 GEAARO CC(C)COC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cn2)CC1 ZINC000034667966 570292578 /nfs/dbraw/zinc/29/25/78/570292578.db2.gz UUSBGNLUWALDQU-LJQANCHMSA-N 1 0 392.544 2.222 50 0 GEAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@H](C)CC)co2)CC1 ZINC000034677411 570294081 /nfs/dbraw/zinc/29/40/81/570294081.db2.gz ZXGDEGPEBQONIL-IAGOWNOFSA-N 1 0 380.533 2.119 50 0 GEAARO CC1CCN(C(=O)COc2ccc(C[N@H+](C)C[C@H]3COCCO3)cc2)CC1 ZINC000215997658 570294301 /nfs/dbraw/zinc/29/43/01/570294301.db2.gz VPYQGBSCKAIUBP-FQEVSTJZSA-N 1 0 376.497 2.171 50 0 GEAARO CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000216326961 570299046 /nfs/dbraw/zinc/29/90/46/570299046.db2.gz OBCGOFMPCDYYPO-QGZVFWFLSA-N 1 0 379.526 2.027 50 0 GEAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000016010109 570306096 /nfs/dbraw/zinc/30/60/96/570306096.db2.gz WCJOQPZJSOEMBX-KXDDBMSCSA-N 1 0 381.819 2.285 50 0 GEAARO Cc1cc(-c2ccccc2)nc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000107422943 570310042 /nfs/dbraw/zinc/31/00/42/570310042.db2.gz FXXLVRPPUGLDCY-JOCHJYFZSA-N 1 0 379.508 2.238 50 0 GEAARO CCOCCC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OCC)c1 ZINC000002877211 570314864 /nfs/dbraw/zinc/31/48/64/570314864.db2.gz AMAGPVOLLRZNNF-UHFFFAOYSA-N 1 0 389.290 2.228 50 0 GEAARO COc1cc(-c2noc(CCC(=O)N3CCC[C@@H]([NH3+])C3)n2)cc(Cl)c1OC ZINC000158336118 570327581 /nfs/dbraw/zinc/32/75/81/570327581.db2.gz FCKAAIDJHPCNSH-GFCCVEGCSA-N 1 0 394.859 2.290 50 0 GEAARO COc1cc2c(cc1OC)[C@@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000003861133 570352555 /nfs/dbraw/zinc/35/25/55/570352555.db2.gz RRKTZKIUPZVBMF-YDJLXJQOSA-N 1 0 394.471 2.110 50 0 world GEAARO C[C@H](Oc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1)C(=O)[O-] ZINC000219508082 570364787 /nfs/dbraw/zinc/36/47/87/570364787.db2.gz MICUWOALKPOURW-KRWDZBQOSA-N 1 0 376.497 2.209 50 0 GEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)c1 ZINC000237466033 570369997 /nfs/dbraw/zinc/36/99/97/570369997.db2.gz RYNOFBQAPIKFNM-OAHLLOKOSA-N 1 0 399.495 2.158 50 0 GEAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N(C)C)cc1 ZINC000010506774 570372601 /nfs/dbraw/zinc/37/26/01/570372601.db2.gz ZPQOOWGKRCCFOT-KRWDZBQOSA-N 1 0 392.477 2.048 50 0 GEAARO O=C(NCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000033131292 570401875 /nfs/dbraw/zinc/40/18/75/570401875.db2.gz OEHFYSMQBFBPOO-UHFFFAOYSA-N 1 0 399.944 2.340 50 0 GEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144007 570426269 /nfs/dbraw/zinc/42/62/69/570426269.db2.gz VYANOPZHTYCAQP-MRXNPFEDSA-N 1 0 388.541 2.146 50 0 GEAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000247978397 570440964 /nfs/dbraw/zinc/44/09/64/570440964.db2.gz WCJOQPZJSOEMBX-NBFIXFRYSA-N 1 0 381.819 2.285 50 0 GEAARO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000043948440 570457282 /nfs/dbraw/zinc/45/72/82/570457282.db2.gz QUSAKIOQEKTINQ-UHFFFAOYSA-N 1 0 380.514 2.032 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070173549 570468308 /nfs/dbraw/zinc/46/83/08/570468308.db2.gz MDOLUXQQESVMAN-WDEREUQCSA-N 1 0 377.304 2.206 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000070173552 570468386 /nfs/dbraw/zinc/46/83/86/570468386.db2.gz MDOLUXQQESVMAN-MNOVXSKESA-N 1 0 377.304 2.206 50 0 GEAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000006833427 570496733 /nfs/dbraw/zinc/49/67/33/570496733.db2.gz NLWPJODAIUKIEW-KRWDZBQOSA-N 1 0 377.460 2.005 50 0 GEAARO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000079052850 570510450 /nfs/dbraw/zinc/51/04/50/570510450.db2.gz VUYKOGDINNBDFL-WBVHZDCISA-N 1 0 396.532 2.342 50 0 GEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccco1 ZINC000036097107 570535461 /nfs/dbraw/zinc/53/54/61/570535461.db2.gz JGUQVQNKWKEGJI-KRWDZBQOSA-N 1 0 379.453 2.323 50 0 GEAARO CCOc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OCC ZINC000008744180 570539368 /nfs/dbraw/zinc/53/93/68/570539368.db2.gz GREVQPMNKFULML-UHFFFAOYSA-N 1 0 384.480 2.484 50 0 GEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022767136 570544126 /nfs/dbraw/zinc/54/41/26/570544126.db2.gz IAMWLWUWHVYWKO-GOSISDBHSA-N 1 0 395.550 2.024 50 0 GEAARO COc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022794151 570547776 /nfs/dbraw/zinc/54/77/76/570547776.db2.gz MRPKEYBGGJRCRF-OAQYLSRUSA-N 1 0 383.492 2.179 50 0 GEAARO CC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000422144775 570548655 /nfs/dbraw/zinc/54/86/55/570548655.db2.gz RNABPGZAJZEOSY-GOSISDBHSA-N 1 0 378.904 2.224 50 0 GEAARO CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000005346782 570561592 /nfs/dbraw/zinc/56/15/92/570561592.db2.gz DMUSGKHLGWXJKR-KGWSRGFLSA-N 1 0 387.455 2.391 50 0 GEAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000036708038 570568152 /nfs/dbraw/zinc/56/81/52/570568152.db2.gz IVPMDCKEQDBHFK-UHFFFAOYSA-N 1 0 393.850 2.256 50 0 GEAARO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000011662114 570577533 /nfs/dbraw/zinc/57/75/33/570577533.db2.gz HGEZGFJTJACOAD-HXUWFJFHSA-N 1 0 389.540 2.369 50 0 GEAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(COc3ccc(C)nc3)on2)C1 ZINC000011667258 570578992 /nfs/dbraw/zinc/57/89/92/570578992.db2.gz NHGAVORUXNAGQJ-INIZCTEOSA-N 1 0 388.468 2.045 50 0 GEAARO CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000011718558 570581171 /nfs/dbraw/zinc/58/11/71/570581171.db2.gz SQRYJKSRAMAXON-KRWDZBQOSA-N 1 0 375.561 2.390 50 0 GEAARO COCCNC(=O)c1sc2ncnc(NCC[NH+]3CCCCC3)c2c1C ZINC000011782249 570582529 /nfs/dbraw/zinc/58/25/29/570582529.db2.gz KNEFOBDPFKMSLH-UHFFFAOYSA-N 1 0 377.514 2.274 50 0 GEAARO COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011813908 570583344 /nfs/dbraw/zinc/58/33/44/570583344.db2.gz BRNRBURGGLVIGA-IBGZPJMESA-N 1 0 390.524 2.045 50 0 GEAARO C[NH+]1CCN(c2ncccc2CNC(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000011843749 570587611 /nfs/dbraw/zinc/58/76/11/570587611.db2.gz QFGLBULDGGXCNW-UHFFFAOYSA-N 1 0 384.455 2.252 50 0 GEAARO O=C(Cc1cccc(F)c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011878181 570590011 /nfs/dbraw/zinc/59/00/11/570590011.db2.gz FASLPTCCPVTAKC-QGZVFWFLSA-N 1 0 387.499 2.350 50 0 GEAARO COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011879363 570590981 /nfs/dbraw/zinc/59/09/81/570590981.db2.gz VYNXMYWYWQAHNQ-FQEVSTJZSA-N 1 0 392.540 2.437 50 0 GEAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011911418 570592239 /nfs/dbraw/zinc/59/22/39/570592239.db2.gz TWBMNUFEJSWISN-SFHVURJKSA-N 1 0 398.507 2.372 50 0 GEAARO CN1CC[N@H+](C)[C@H](CC(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)C1 ZINC000039479115 570592230 /nfs/dbraw/zinc/59/22/30/570592230.db2.gz QJTSJRQTRMGJPA-HXUWFJFHSA-N 1 0 386.540 2.280 50 0 GEAARO COc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011911419 570592305 /nfs/dbraw/zinc/59/23/05/570592305.db2.gz TWBMNUFEJSWISN-GOSISDBHSA-N 1 0 398.507 2.372 50 0 GEAARO CCC[NH+]1CCC(N2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)CC1 ZINC000039518515 570592938 /nfs/dbraw/zinc/59/29/38/570592938.db2.gz KOZKVQWLRLATRL-OAQYLSRUSA-N 1 0 375.557 2.438 50 0 GEAARO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCn2ccnc2C1 ZINC000225671808 570600982 /nfs/dbraw/zinc/60/09/82/570600982.db2.gz ASMMMOCEXNBZCR-CQSZACIVSA-N 1 0 399.886 2.250 50 0 GEAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000005512914 570620989 /nfs/dbraw/zinc/62/09/89/570620989.db2.gz JGWDQPHVPYPALM-HNNXBMFYSA-N 1 0 386.448 2.090 50 0 GEAARO CCOC[C@H](O)CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012207929 570626667 /nfs/dbraw/zinc/62/66/67/570626667.db2.gz PTAJOINCQAKAQK-QGZVFWFLSA-N 1 0 394.512 2.074 50 0 GEAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)C1 ZINC000012306065 570638703 /nfs/dbraw/zinc/63/87/03/570638703.db2.gz PHAHHWGFBXVRNG-HNNXBMFYSA-N 1 0 386.452 2.274 50 0 GEAARO O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012340509 570645115 /nfs/dbraw/zinc/64/51/15/570645115.db2.gz ARYLDLLXBNXXNQ-UHFFFAOYSA-N 1 0 376.463 2.309 50 0 GEAARO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1NC(C)=O ZINC000045744848 570648550 /nfs/dbraw/zinc/64/85/50/570648550.db2.gz UBCBNKDPOMCLQA-AWEZNQCLSA-N 1 0 383.514 2.054 50 0 GEAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000012441635 570664421 /nfs/dbraw/zinc/66/44/21/570664421.db2.gz ZPOKCYUPECOBFF-KRWDZBQOSA-N 1 0 378.498 2.362 50 0 GEAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000012445875 570666242 /nfs/dbraw/zinc/66/62/42/570666242.db2.gz BLQIVBPSXWRBFX-SFHVURJKSA-N 1 0 390.528 2.267 50 0 GEAARO O=C(CN1C(=O)c2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015582519 570684893 /nfs/dbraw/zinc/68/48/93/570684893.db2.gz ZYANSSBVBDLRPC-UHFFFAOYSA-N 1 0 377.444 2.063 50 0 GEAARO O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3cccc4nonc43)CC2)CC1 ZINC000055252908 570688848 /nfs/dbraw/zinc/68/88/48/570688848.db2.gz PPWCRIBRJYTQLF-UHFFFAOYSA-N 1 0 383.496 2.178 50 0 GEAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000017290391 570702610 /nfs/dbraw/zinc/70/26/10/570702610.db2.gz CCZXVLDVNXRTMW-HNNXBMFYSA-N 1 0 375.494 2.410 50 0 GEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2nonc2C)C1 ZINC000012714582 570703821 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Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000252511383 570981104 /nfs/dbraw/zinc/98/11/04/570981104.db2.gz GEIXSHDTIQYZDK-XZOQPEGZSA-N 1 0 395.547 2.426 50 0 GEAARO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000044903927 570982276 /nfs/dbraw/zinc/98/22/76/570982276.db2.gz NQBJFXFLJKTDBB-GOSISDBHSA-N 1 0 393.447 2.403 50 0 GEAARO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000025922763 570999856 /nfs/dbraw/zinc/99/98/56/570999856.db2.gz ONDXRASTKZCVEB-UHFFFAOYSA-N 1 0 380.492 2.240 50 0 GEAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974425 571007184 /nfs/dbraw/zinc/00/71/84/571007184.db2.gz SFFXTOPROXZUSC-UHFFFAOYSA-N 1 0 395.569 2.423 50 0 GEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000007960810 642346250 /nfs/dbraw/zinc/34/62/50/642346250.db2.gz VJOAEPVBKNXOFK-HNNXBMFYSA-N 1 0 382.302 2.170 50 0 GEAARO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C(F)F ZINC000657825141 652209093 /nfs/dbraw/zinc/20/90/93/652209093.db2.gz MKYLKRRGYYKWQZ-ZDUSSCGKSA-N 1 0 376.469 2.477 50 0 GEAARO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2ccncc2Br)C1 ZINC000626468604 652393449 /nfs/dbraw/zinc/39/34/49/652393449.db2.gz OGSFLRWGGZNZHE-TUKIKUTGSA-N 1 0 383.290 2.029 50 0 GEAARO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246205525 231041175 /nfs/dbraw/zinc/04/11/75/231041175.db2.gz VUXQMXOUQHYFDC-CVEARBPZSA-N 1 0 391.516 2.273 50 0 GEAARO Cc1cc(N2C[C@H](C(=O)N3CC[C@H]([NH3+])C[C@H]3C)CC2=O)ccc1Br ZINC000408519183 231049116 /nfs/dbraw/zinc/04/91/16/231049116.db2.gz OTLXABLCIMDKAK-MCIONIFRSA-N 1 0 394.313 2.449 50 0 GEAARO CO[C@]12CC[N@H+](Cc3cc4ccccc4n(C)c3=O)[C@H]1C[C@@H](OCCO)CC2 ZINC000426395413 231213735 /nfs/dbraw/zinc/21/37/35/231213735.db2.gz RJHGJOFGZSEUJP-RCZSKKKRSA-N 1 0 386.492 2.059 50 0 GEAARO Nc1cc[nH+]cc1-c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000426518371 231233676 /nfs/dbraw/zinc/23/36/76/231233676.db2.gz SJDYZKGSCOQINP-LJQANCHMSA-N 1 0 380.492 2.488 50 0 GEAARO O=C(NCc1ccc2nonc2c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426668402 231250218 /nfs/dbraw/zinc/25/02/18/231250218.db2.gz QMBLFVPBUZBQQK-UHFFFAOYSA-N 1 0 377.448 2.217 50 0 GEAARO C[N@H+](CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1)C1CCCC1 ZINC000426606831 529889864 /nfs/dbraw/zinc/88/98/64/529889864.db2.gz YSIWBWJVAWHZBW-GOSISDBHSA-N 1 0 376.476 2.273 50 0 GEAARO CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000426477301 529974764 /nfs/dbraw/zinc/97/47/64/529974764.db2.gz YFPVAGOZXXQDFN-SFHVURJKSA-N 1 0 389.475 2.204 50 0 GEAARO C[NH+](C)CCCNC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000006916893 531533850 /nfs/dbraw/zinc/53/38/50/531533850.db2.gz HELHVVRBNVDTEC-UHFFFAOYSA-N 1 0 375.464 2.049 50 0 GEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000178973699 532219624 /nfs/dbraw/zinc/21/96/24/532219624.db2.gz ORAACBDPJXFEJB-LBPRGKRZSA-N 1 0 378.274 2.020 50 0 GEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)C1 ZINC000178997588 532220767 /nfs/dbraw/zinc/22/07/67/532220767.db2.gz QIFVNKAHJPFPNT-UONOGXRCSA-N 1 0 394.313 2.178 50 0 GEAARO CC(=O)OCc1c(COC(C)=O)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000136142246 532283067 /nfs/dbraw/zinc/28/30/67/532283067.db2.gz IBIMYPQGUUEPKR-UHFFFAOYSA-N 1 0 376.172 2.226 50 0 GEAARO C[N@@H+]1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)[C@@H](c2ccccc2)C1 ZINC000032816903 206226632 /nfs/dbraw/zinc/22/66/32/206226632.db2.gz TXIBAIISNXGZJR-HXUWFJFHSA-N 1 0 378.476 2.069 50 0 GEAARO Cc1nn(C)c(C)c1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000030653774 206257178 /nfs/dbraw/zinc/25/71/78/206257178.db2.gz DFBSUTPMVFVOEW-UHFFFAOYSA-N 1 0 376.526 2.288 50 0 GEAARO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000225410379 206259264 /nfs/dbraw/zinc/25/92/64/206259264.db2.gz PRHPGKFXYSPMBS-MBOZVWFJSA-N 1 0 385.508 2.429 50 0 GEAARO C[NH+](C)CCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002065414 206396879 /nfs/dbraw/zinc/39/68/79/206396879.db2.gz WBHFNDPDFYPRJC-CYVLTUHYSA-N 1 0 396.447 2.434 50 0 GEAARO CC[NH+](CC)CCNc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 ZINC000006859826 206686203 /nfs/dbraw/zinc/68/62/03/206686203.db2.gz LNZSTUKZNGGMCG-UHFFFAOYSA-N 1 0 395.511 2.159 50 0 GEAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 ZINC000012319034 206884730 /nfs/dbraw/zinc/88/47/30/206884730.db2.gz BJURIQYONKSEOJ-HXUWFJFHSA-N 1 0 375.419 2.312 50 0 GEAARO COCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014743511 207027682 /nfs/dbraw/zinc/02/76/82/207027682.db2.gz YJNSSDCGZHIURI-SFHVURJKSA-N 1 0 382.508 2.054 50 0 GEAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014538144 207024154 /nfs/dbraw/zinc/02/41/54/207024154.db2.gz UYSKFHSUULMGMA-KRWDZBQOSA-N 1 0 384.524 2.158 50 0 GEAARO CSc1ncc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1 ZINC000014958270 207032993 /nfs/dbraw/zinc/03/29/93/207032993.db2.gz ZVMRLGWQHPYPEX-QGZVFWFLSA-N 1 0 378.542 2.486 50 0 GEAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014752353 207029941 /nfs/dbraw/zinc/02/99/41/207029941.db2.gz KUUWFXZMZSWGMK-UHFFFAOYSA-N 1 0 383.558 2.283 50 0 GEAARO COc1ccccc1CC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014751201 207029969 /nfs/dbraw/zinc/02/99/69/207029969.db2.gz AEKSPZYHVCBXIJ-QGZVFWFLSA-N 1 0 382.508 2.354 50 0 GEAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cccc(Cn4cccn4)c3)C2)CC1 ZINC000015075596 207046515 /nfs/dbraw/zinc/04/65/15/207046515.db2.gz OSRYNDLBGPUOPL-HXUWFJFHSA-N 1 0 381.524 2.220 50 0 GEAARO COc1ccccc1CC[NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000015065893 207042873 /nfs/dbraw/zinc/04/28/73/207042873.db2.gz SCYHPEHZBDIGPP-UHFFFAOYSA-N 1 0 394.475 2.148 50 0 GEAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064288 207043444 /nfs/dbraw/zinc/04/34/44/207043444.db2.gz IXEGGBQDPYIALR-INIZCTEOSA-N 1 0 387.553 2.458 50 0 GEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000015671228 207054163 /nfs/dbraw/zinc/05/41/63/207054163.db2.gz BPIXKFONLIDCQU-UHFFFAOYSA-N 1 0 395.916 2.015 50 0 GEAARO CSc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCCCC1 ZINC000016647668 207075435 /nfs/dbraw/zinc/07/54/35/207075435.db2.gz STODQYUEMRYSFC-UHFFFAOYSA-N 1 0 399.582 2.265 50 0 GEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000018190012 207094498 /nfs/dbraw/zinc/09/44/98/207094498.db2.gz TUNLQNBGQQZHBQ-SFHVURJKSA-N 1 0 384.407 2.467 50 0 GEAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000018223092 207096480 /nfs/dbraw/zinc/09/64/80/207096480.db2.gz FHYYCXNJQXKVGG-GOSISDBHSA-N 1 0 391.427 2.403 50 0 GEAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000019224944 207109936 /nfs/dbraw/zinc/10/99/36/207109936.db2.gz MFXFBGCINVFUOD-UHFFFAOYSA-N 1 0 397.566 2.102 50 0 GEAARO O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@@H+]3CCCOCC3)cc2)[nH]1 ZINC000019144754 207104409 /nfs/dbraw/zinc/10/44/09/207104409.db2.gz GLSPVNVWKDMXMF-UHFFFAOYSA-N 1 0 379.464 2.098 50 0 GEAARO COc1ccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)cc1 ZINC000019360112 207118331 /nfs/dbraw/zinc/11/83/31/207118331.db2.gz LNBKAEFSZBEOFI-UHFFFAOYSA-N 1 0 392.569 2.120 50 0 GEAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1ccccc1I ZINC000019360937 207118681 /nfs/dbraw/zinc/11/86/81/207118681.db2.gz HGWKVXYMBKEBHV-GFCCVEGCSA-N 1 0 388.249 2.084 50 0 GEAARO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)c1ccccc1I ZINC000019367908 207118701 /nfs/dbraw/zinc/11/87/01/207118701.db2.gz HGWKVXYMBKEBHV-LBPRGKRZSA-N 1 0 388.249 2.084 50 0 GEAARO COCC(=O)N1CCC[C@H]1c1ccc(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000019852817 207166645 /nfs/dbraw/zinc/16/66/45/207166645.db2.gz HFAPPZXBSDGMCF-HNNXBMFYSA-N 1 0 379.526 2.274 50 0 GEAARO OCCN1CC[NH+](C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000019868388 207168333 /nfs/dbraw/zinc/16/83/33/207168333.db2.gz KWNQBMYFBQSGIV-UHFFFAOYSA-N 1 0 382.346 2.023 50 0 GEAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)n1 ZINC000019789677 207160594 /nfs/dbraw/zinc/16/05/94/207160594.db2.gz DTPLXMRWXYWQEJ-OAHLLOKOSA-N 1 0 380.452 2.124 50 0 GEAARO CC[NH+]1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000019790764 207161860 /nfs/dbraw/zinc/16/18/60/207161860.db2.gz DPBALMDAWRMANF-GFCCVEGCSA-N 1 0 379.245 2.105 50 0 GEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(OC)cc2C)CN1C(C)C ZINC000019810344 207163524 /nfs/dbraw/zinc/16/35/24/207163524.db2.gz ISUAOBLLWPCTBF-MOPGFXCFSA-N 1 0 377.529 2.016 50 0 GEAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000019939532 207171234 /nfs/dbraw/zinc/17/12/34/207171234.db2.gz IVKXZKHYCMRQKN-UHFFFAOYSA-N 1 0 393.491 2.464 50 0 GEAARO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)cc1 ZINC000020207628 207183504 /nfs/dbraw/zinc/18/35/04/207183504.db2.gz ROCBZLRBFNWGNY-IBGZPJMESA-N 1 0 386.540 2.411 50 0 GEAARO OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1Cc1ccccc1 ZINC000020208757 207184395 /nfs/dbraw/zinc/18/43/95/207184395.db2.gz MSQDHZVFAOQBEU-FQEVSTJZSA-N 1 0 377.492 2.336 50 0 GEAARO O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000020293638 207187216 /nfs/dbraw/zinc/18/72/16/207187216.db2.gz AFTGVIFUIMHPNB-GOSISDBHSA-N 1 0 387.549 2.042 50 0 GEAARO O=C(NCCN1CCOCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020512614 207199370 /nfs/dbraw/zinc/19/93/70/207199370.db2.gz OGHAPALCPNGXRZ-UHFFFAOYSA-N 1 0 379.504 2.307 50 0 GEAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000020541333 207202430 /nfs/dbraw/zinc/20/24/30/207202430.db2.gz MTENSQVYFSNOFC-KRWDZBQOSA-N 1 0 386.496 2.198 50 0 GEAARO C/C=C(\C)C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600460 207206659 /nfs/dbraw/zinc/20/66/59/207206659.db2.gz XHXMRCGBAARZCZ-XOMRCUKUSA-N 1 0 385.508 2.490 50 0 GEAARO C[NH+]1CCN([C@H](CNC(=O)c2cccc(F)c2)c2ccc3c(c2)OCO3)CC1 ZINC000020614305 207206889 /nfs/dbraw/zinc/20/68/89/207206889.db2.gz ZBSMOBYKVPOOLQ-GOSISDBHSA-N 1 0 385.439 2.273 50 0 GEAARO CC[NH+](CC)[C@@H]1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000020920847 207219723 /nfs/dbraw/zinc/21/97/23/207219723.db2.gz WVQUGIGDHTXFCM-GOSISDBHSA-N 1 0 399.539 2.031 50 0 GEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)o1 ZINC000020920744 207220052 /nfs/dbraw/zinc/22/00/52/207220052.db2.gz NAEIRGYJLSYXOJ-OAHLLOKOSA-N 1 0 394.479 2.378 50 0 GEAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)cc1 ZINC000020734268 207211862 /nfs/dbraw/zinc/21/18/62/207211862.db2.gz WDYHBSJWOACAKM-UHFFFAOYSA-N 1 0 376.570 2.420 50 0 GEAARO CC[NH+]1CCN(CCCNc2nc(-c3cccc(OC)c3OC)no2)CC1 ZINC000021630945 207232603 /nfs/dbraw/zinc/23/26/03/207232603.db2.gz JOGUTGWRSXUOFC-UHFFFAOYSA-N 1 0 375.473 2.193 50 0 GEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000022852961 207263781 /nfs/dbraw/zinc/26/37/81/207263781.db2.gz HIIBSYYHXQRHHA-KRWDZBQOSA-N 1 0 375.469 2.154 50 0 GEAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH+]2CCN(C)CC2)[C@@H]3CCC1 ZINC000022581847 207256622 /nfs/dbraw/zinc/25/66/22/207256622.db2.gz ZJUNKOUVYZCWIZ-XMSQKQJNSA-N 1 0 382.552 2.251 50 0 GEAARO CC[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000022930299 207265623 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CC1CCN(CC[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000067757225 207903349 /nfs/dbraw/zinc/90/33/49/207903349.db2.gz KACPXFZYBFWELA-NRFANRHFSA-N 1 0 377.504 2.001 50 0 GEAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067872475 207915658 /nfs/dbraw/zinc/91/56/58/207915658.db2.gz WZBDRYWFBLYORR-OAQYLSRUSA-N 1 0 382.439 2.254 50 0 GEAARO O=C(N1CCCC1)N1CCC(n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072426208 208021273 /nfs/dbraw/zinc/02/12/73/208021273.db2.gz RHOFYGWWPRCIML-UHFFFAOYSA-N 1 0 383.500 2.093 50 0 GEAARO CC1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)CC[NH2+]CC1 ZINC000072432981 208026118 /nfs/dbraw/zinc/02/61/18/208026118.db2.gz LAJFTWARTSBAIB-JOCHJYFZSA-N 1 0 384.524 2.203 50 0 GEAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2=O)c1OC ZINC000072448208 208027474 /nfs/dbraw/zinc/02/74/74/208027474.db2.gz QPKHDOIKHFZIBJ-NRFANRHFSA-N 1 0 384.480 2.442 50 0 GEAARO Cc1ccc(OC2(C(=O)NC[C@@H](c3ccccn3)N(C)C)CC[NH2+]CC2)cc1 ZINC000077301074 208037854 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O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 ZINC000426435039 534742467 /nfs/dbraw/zinc/74/24/67/534742467.db2.gz WDMPFQMCYJKASN-NHCUHLMSSA-N 1 0 376.460 2.051 50 0 GEAARO COc1ccc(C[NH2+][C@H]2CC[C@@H](n3cc(C(=O)NC4CC4)nn3)CC2)c(OC)c1 ZINC000244716212 524094248 /nfs/dbraw/zinc/09/42/48/524094248.db2.gz LKQJXUWJDSPALX-WOVMCDHWSA-N 1 0 399.495 2.461 50 0 GEAARO CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426593557 528087275 /nfs/dbraw/zinc/08/72/75/528087275.db2.gz DZUXECVYMRLBIA-JOCHJYFZSA-N 1 0 387.524 2.378 50 0 GEAARO CCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1Br ZINC000408519222 528578464 /nfs/dbraw/zinc/57/84/64/528578464.db2.gz WGIKKQCELCAECD-MNOVXSKESA-N 1 0 377.304 2.348 50 0 GEAARO CCNC(=O)c1ccnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095525062 535450278 /nfs/dbraw/zinc/45/02/78/535450278.db2.gz TZPMCXCTXJVNRB-SFHVURJKSA-N 1 0 384.528 2.364 50 0 GEAARO CN1CCN(c2ncc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741317 536425687 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GEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000048361986 570244322 /nfs/dbraw/zinc/24/43/22/570244322.db2.gz GVATUWCGNGTQRN-GOSISDBHSA-N 1 0 375.488 2.159 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1 ZINC000048364672 570247233 /nfs/dbraw/zinc/24/72/33/570247233.db2.gz AQROWIYVYIOKNT-FQEVSTJZSA-N 1 0 390.487 2.199 50 0 GEAARO CCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000049930749 570273008 /nfs/dbraw/zinc/27/30/08/570273008.db2.gz MODBRRFYWBDJKY-ZDUSSCGKSA-N 1 0 382.302 2.122 50 0 GEAARO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000236887033 570275466 /nfs/dbraw/zinc/27/54/66/570275466.db2.gz RDINUFAAYAIRHI-GOSISDBHSA-N 1 0 376.476 2.342 50 0 GEAARO O=C(NCCC[NH+]1CCCCCC1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005195185 570276848 /nfs/dbraw/zinc/27/68/48/570276848.db2.gz AOASVFHKPUQACA-QGZVFWFLSA-N 1 0 376.476 2.496 50 0 GEAARO CC(C)[C@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 ZINC000012900325 570288069 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DGAPCPKPARMYOM-FZNQNYSPSA-N 1 0 386.475 2.258 50 0 GEAARO CC[NH+]1CCN(c2nc3[nH]nc(N)c3c3c2CN(C2CCCCC2)CC3)CC1 ZINC000005209755 570506908 /nfs/dbraw/zinc/50/69/08/570506908.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 1 0 383.544 2.373 50 0 GEAARO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000072306721 570523724 /nfs/dbraw/zinc/52/37/24/570523724.db2.gz FEIRYMKGRRKFNA-UHFFFAOYSA-N 1 0 393.553 2.464 50 0 GEAARO COc1ccc([C@@H](CNS(=O)(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022794968 570548303 /nfs/dbraw/zinc/54/83/03/570548303.db2.gz XXIXHJXFMNTZMN-QGZVFWFLSA-N 1 0 395.550 2.024 50 0 GEAARO Cc1ccc(-c2nnc(CCC(=O)NCCC[N@@H+]3CCC[C@H](O)C3)o2)s1 ZINC000011663001 570577348 /nfs/dbraw/zinc/57/73/48/570577348.db2.gz BMHHOVBWYXIWPS-AWEZNQCLSA-N 1 0 378.498 2.002 50 0 GEAARO O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000011814666 570583977 /nfs/dbraw/zinc/58/39/77/570583977.db2.gz LKOOESAKEPKUEA-IBGZPJMESA-N 1 0 381.520 2.437 50 0 GEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cccnc2OC)CC1 ZINC000011816781 570584384 /nfs/dbraw/zinc/58/43/84/570584384.db2.gz PSOCASUWELGLRZ-GOSISDBHSA-N 1 0 391.512 2.070 50 0 GEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC000011935906 570593512 /nfs/dbraw/zinc/59/35/12/570593512.db2.gz ORNLBFBYMMIJJH-HNNXBMFYSA-N 1 0 395.507 2.158 50 0 GEAARO Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCC[NH+](C)C)c1=O ZINC000012016325 570598368 /nfs/dbraw/zinc/59/83/68/570598368.db2.gz YIZZDIYNVFCDOG-UHFFFAOYSA-N 1 0 376.460 2.406 50 0 GEAARO C[C@H](C[N@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1)c1ccccc1 ZINC000012024760 570599046 /nfs/dbraw/zinc/59/90/46/570599046.db2.gz IQSXJWFLWUFNTJ-QGZVFWFLSA-N 1 0 390.491 2.265 50 0 GEAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012039230 570599937 /nfs/dbraw/zinc/59/99/37/570599937.db2.gz QUCISYCPTAOTBU-ODECOBMASA-N 1 0 397.523 2.453 50 0 GEAARO COc1cccc(-c2c3c(ccn(CCC[NH+](C)C)c3=O)nc3nc(C)nn32)c1 ZINC000040398502 570602337 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GEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(N(C)C)c2)c1 ZINC000033032774 570399691 /nfs/dbraw/zinc/39/96/91/570399691.db2.gz ZCQXUOCEMJRTKV-UHFFFAOYSA-N 1 0 394.519 2.135 50 0 GEAARO C[N@H+](CCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Cc1ccccc1 ZINC000248005861 570435178 /nfs/dbraw/zinc/43/51/78/570435178.db2.gz ALVZAHNGNYDGOA-RTBURBONSA-N 1 0 385.508 2.190 50 0 GEAARO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccccc1)[NH+]1CCCCCC1 ZINC000011898698 570444314 /nfs/dbraw/zinc/44/43/14/570444314.db2.gz GDXNTJZXNMFFPM-FQEVSTJZSA-N 1 0 382.508 2.375 50 0 GEAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000248255171 570451357 /nfs/dbraw/zinc/45/13/57/570451357.db2.gz UJFOYNMGDJCIJE-AEFFLSMTSA-N 1 0 393.553 2.216 50 0 GEAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000024140672 570460946 /nfs/dbraw/zinc/46/09/46/570460946.db2.gz MUPQZDYOAXZYPI-UHFFFAOYSA-N 1 0 393.491 2.340 50 0 GEAARO Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCC[NH+](C)C)no2)cc1 ZINC000035989176 570504971 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COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)c1 ZINC000035422084 570553100 /nfs/dbraw/zinc/55/31/00/570553100.db2.gz LBUGWCBGRREEBG-UHFFFAOYSA-N 1 0 395.503 2.468 50 0 GEAARO CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000035800828 570557920 /nfs/dbraw/zinc/55/79/20/570557920.db2.gz SDKGIYQWBUPRQP-UHFFFAOYSA-N 1 0 377.441 2.014 50 0 GEAARO C[C@H](CCNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)[NH+]1CCCC1 ZINC000064839672 570560644 /nfs/dbraw/zinc/56/06/44/570560644.db2.gz ZSZFKHGAVVIKSZ-HZPDHXFCSA-N 1 0 395.507 2.440 50 0 GEAARO Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1F ZINC000036708103 570567960 /nfs/dbraw/zinc/56/79/60/570567960.db2.gz GOQLQYSLOJWMAZ-UHFFFAOYSA-N 1 0 388.447 2.303 50 0 GEAARO O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032986439 570574241 /nfs/dbraw/zinc/57/42/41/570574241.db2.gz VWBJUOUCDFOVRK-GOSISDBHSA-N 1 0 391.471 2.454 50 0 GEAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cc[n+]([O-])cc3)C2)cc1 ZINC000011661749 570576954 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GEAARO C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)n1cnc2ccccc21 ZINC000012308554 570640346 /nfs/dbraw/zinc/64/03/46/570640346.db2.gz OVFGIGKWFXSCHQ-INIZCTEOSA-N 1 0 378.480 2.061 50 0 GEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000046959847 570652880 /nfs/dbraw/zinc/65/28/80/570652880.db2.gz FIGZAKVMNGKXHZ-KRWDZBQOSA-N 1 0 393.553 2.323 50 0 GEAARO COc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2C)cc1 ZINC000033032863 570670047 /nfs/dbraw/zinc/67/00/47/570670047.db2.gz TWUSISFQXWJAPB-UHFFFAOYSA-N 1 0 381.476 2.078 50 0 GEAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000062580126 570670340 /nfs/dbraw/zinc/67/03/40/570670340.db2.gz BOLFQRDNJHMMDZ-HZPDHXFCSA-N 1 0 390.434 2.360 50 0 GEAARO COC(=O)CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012459624 570670718 /nfs/dbraw/zinc/67/07/18/570670718.db2.gz OPSZNBNXCCKZIM-UHFFFAOYSA-N 1 0 376.497 2.361 50 0 GEAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCC2)cc1 ZINC000065074674 570680113 /nfs/dbraw/zinc/68/01/13/570680113.db2.gz GNVOKKBKMZNLAX-UHFFFAOYSA-N 1 0 390.553 2.052 50 0 GEAARO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC ZINC000012593495 570688012 /nfs/dbraw/zinc/68/80/12/570688012.db2.gz AJIXIAZGMYSSBX-QGZVFWFLSA-N 1 0 392.500 2.100 50 0 GEAARO CSc1nnc(CC2CC[NH+](CCn3c4ccccc4oc3=O)CC2)n1C ZINC000055402398 570694431 /nfs/dbraw/zinc/69/44/31/570694431.db2.gz AGEKJCHDTSKJJZ-UHFFFAOYSA-N 1 0 387.509 2.400 50 0 GEAARO C[C@@H]1Oc2ccc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCCC3)cc2NC1=O ZINC000058162060 570712702 /nfs/dbraw/zinc/71/27/02/570712702.db2.gz RFLOAQZMVDYGKC-VBQJREDUSA-N 1 0 388.468 2.028 50 0 GEAARO COc1ccc(OCC2CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)CC2)cc1 ZINC000252532918 570729767 /nfs/dbraw/zinc/72/97/67/570729767.db2.gz FLNNDAXNONAFIY-CALCHBBNSA-N 1 0 385.512 2.319 50 0 GEAARO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)c12 ZINC000007004679 570736131 /nfs/dbraw/zinc/73/61/31/570736131.db2.gz VYSUMTKUKNVPLM-MRXNPFEDSA-N 1 0 386.500 2.135 50 0 GEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000022989539 570746099 /nfs/dbraw/zinc/74/60/99/570746099.db2.gz LJBNEOXYLODWMO-IBGZPJMESA-N 1 0 393.553 2.137 50 0 GEAARO CCCN1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255910 570754213 /nfs/dbraw/zinc/75/42/13/570754213.db2.gz AALWSINTCDPQEP-OAQYLSRUSA-N 1 0 393.535 2.400 50 0 GEAARO COC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566237 570758850 /nfs/dbraw/zinc/75/88/50/570758850.db2.gz UBQYGTTXFMGIJO-PJIJBLCYSA-N 1 0 387.480 2.454 50 0 GEAARO C[NH+]1CCC(n2ncc3c2NC(=O)C[C@@H]3Cn2c3ccccc3oc2=O)CC1 ZINC000065461232 570769722 /nfs/dbraw/zinc/76/97/22/570769722.db2.gz HAQUAOBPGJHJSB-CYBMUJFWSA-N 1 0 381.436 2.184 50 0 GEAARO CCN(C(=O)CC[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1)c1ccccc1 ZINC000065526552 570771825 /nfs/dbraw/zinc/77/18/25/570771825.db2.gz BHUSNENWJKYOBT-UHFFFAOYSA-N 1 0 386.540 2.235 50 0 GEAARO Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC000067601950 570782568 /nfs/dbraw/zinc/78/25/68/570782568.db2.gz ASLOCZMMRQLUIP-UHFFFAOYSA-N 1 0 393.488 2.223 50 0 GEAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000067805216 570791845 /nfs/dbraw/zinc/79/18/45/570791845.db2.gz YWXLHUBMLTVZBM-ZDUSSCGKSA-N 1 0 386.456 2.046 50 0 GEAARO CCc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000036708099 570793798 /nfs/dbraw/zinc/79/37/98/570793798.db2.gz KUAHQSMBKYRTLA-UHFFFAOYSA-N 1 0 384.484 2.418 50 0 GEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000067867476 570794591 /nfs/dbraw/zinc/79/45/91/570794591.db2.gz PCNKIROFRJXIEO-SFHVURJKSA-N 1 0 377.504 2.265 50 0 GEAARO CN1CC2(CC[NH+](Cc3cccc(C(=O)Nc4cnns4)c3)CC2)OC1=O ZINC000067855470 570794620 /nfs/dbraw/zinc/79/46/20/570794620.db2.gz GEPPBGMQFDHADU-UHFFFAOYSA-N 1 0 387.465 2.207 50 0 GEAARO Cc1ccccc1N1CCN(c2ncccc2C[NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000067872239 570795096 /nfs/dbraw/zinc/79/50/96/570795096.db2.gz QMLWZLJPQMFRMD-IBGZPJMESA-N 1 0 391.523 2.486 50 0 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COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000017911774 207090601 /nfs/dbraw/zinc/09/06/01/207090601.db2.gz QVBFQIJMQQFORA-HXUWFJFHSA-N 1 0 381.476 2.378 50 0 GEAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)C[C@@H]2CCC(=O)N2)Cc2ccccc2C1 ZINC000019595671 207144297 /nfs/dbraw/zinc/14/42/97/207144297.db2.gz LIOSCUQDAKODGU-NRFANRHFSA-N 1 0 391.515 2.441 50 0 GEAARO CN1CC[N@H+](C)[C@@H](CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000019640775 207144668 /nfs/dbraw/zinc/14/46/68/207144668.db2.gz PNQGWYGUMGJQMX-INIZCTEOSA-N 1 0 390.434 2.404 50 0 GEAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cncnc3C)CC2)[C@H]1O ZINC000019732553 207155806 /nfs/dbraw/zinc/15/58/06/207155806.db2.gz GRGXKTVLYREWGJ-UXHICEINSA-N 1 0 380.492 2.326 50 0 GEAARO Cc1cc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1 ZINC000019743946 207157509 /nfs/dbraw/zinc/15/75/09/207157509.db2.gz AGZBKQVVVOCVPZ-HXUWFJFHSA-N 1 0 397.523 2.229 50 0 GEAARO C[N@H+](Cc1cccc2ncccc12)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000019759164 207159146 /nfs/dbraw/zinc/15/91/46/207159146.db2.gz DIKIYFJSMSJXBA-SFTDATJTSA-N 1 0 397.500 2.101 50 0 GEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(C(=O)OC)cc3)C2)CC1 ZINC000019839740 207167080 /nfs/dbraw/zinc/16/70/80/207167080.db2.gz XPNLRPBAOSONIO-LJQANCHMSA-N 1 0 389.496 2.212 50 0 GEAARO CNS(=O)(=O)CCNC(=O)c1ccc([C@H]2CCC[N@@H+]2CC=C(C)C)s1 ZINC000019790013 207160518 /nfs/dbraw/zinc/16/05/18/207160518.db2.gz FGGFCPOOBIXUBK-CQSZACIVSA-N 1 0 385.555 2.130 50 0 GEAARO CCOC(=O)c1c2c(sc1NC(=O)CCN1CC[NH+](C)CC1)CCCC2 ZINC000019796807 207163515 /nfs/dbraw/zinc/16/35/15/207163515.db2.gz KBLPTZLOUKDBQT-UHFFFAOYSA-N 1 0 379.526 2.380 50 0 GEAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1C1Cc2ccccc2C1 ZINC000019954140 207172854 /nfs/dbraw/zinc/17/28/54/207172854.db2.gz AEGUVVRRGWTCAD-KKSFZXQISA-N 1 0 385.458 2.411 50 0 GEAARO O=C(C1CC[NH+](C2CCN(C/C=C/c3ccco3)CC2)CC1)N1CCOCC1 ZINC000020201749 207181357 /nfs/dbraw/zinc/18/13/57/207181357.db2.gz SAJDQDONNNXINB-HNQUOIGGSA-N 1 0 387.524 2.328 50 0 GEAARO CC(=O)Nc1ccc(C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 ZINC000020293980 207187323 /nfs/dbraw/zinc/18/73/23/207187323.db2.gz MPQXVIRUVKETSJ-UHFFFAOYSA-N 1 0 398.511 2.459 50 0 GEAARO COc1ccc2cc(C(=O)N[C@@H]3CCCN(C4CC[NH+](C)CC4)C3)n(C)c2c1 ZINC000020455425 207195167 /nfs/dbraw/zinc/19/51/67/207195167.db2.gz QZSKTFBKQYXTHG-QGZVFWFLSA-N 1 0 384.524 2.475 50 0 GEAARO CC(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020599505 207206630 /nfs/dbraw/zinc/20/66/30/207206630.db2.gz ITAPVVBNLBJQMA-UHFFFAOYSA-N 1 0 378.432 2.494 50 0 GEAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614295 207207412 /nfs/dbraw/zinc/20/74/12/207207412.db2.gz XIAFPBSMZKGZKV-SFHVURJKSA-N 1 0 385.439 2.273 50 0 GEAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614297 207207457 /nfs/dbraw/zinc/20/74/57/207207457.db2.gz XIAFPBSMZKGZKV-GOSISDBHSA-N 1 0 385.439 2.273 50 0 GEAARO COc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c(OC)c1OC ZINC000020782244 207214226 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CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000023129882 207269582 /nfs/dbraw/zinc/26/95/82/207269582.db2.gz IAIKVNQQBZHNLN-OAHLLOKOSA-N 1 0 383.496 2.322 50 0 GEAARO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nc(-c4ccoc4)cc(=O)[nH]3)cc2)C1 ZINC000023129301 207270164 /nfs/dbraw/zinc/27/01/64/207270164.db2.gz SSVKWSCWVHDONE-SFHVURJKSA-N 1 0 378.432 2.407 50 0 GEAARO O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000024006325 207285787 /nfs/dbraw/zinc/28/57/87/207285787.db2.gz BGFBRLKGHUZFND-SFHVURJKSA-N 1 0 380.448 2.333 50 0 GEAARO Cn1c(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(F)(F)F ZINC000024142728 207288949 /nfs/dbraw/zinc/28/89/49/207288949.db2.gz YSAAVHXLKREZHY-ZDUSSCGKSA-N 1 0 399.442 2.317 50 0 GEAARO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000025417857 207303013 /nfs/dbraw/zinc/30/30/13/207303013.db2.gz NCRSODFNIOAJMC-HUUCEWRRSA-N 1 0 375.494 2.032 50 0 GEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc3ccccc3c2)C1 ZINC000028015614 207332991 /nfs/dbraw/zinc/33/29/91/207332991.db2.gz PTXGLSJQBSCTMB-FQEVSTJZSA-N 1 0 383.492 2.043 50 0 GEAARO Cc1c(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000028036535 207334952 /nfs/dbraw/zinc/33/49/52/207334952.db2.gz VMYLSKDBRRRVOZ-UHFFFAOYSA-N 1 0 398.492 2.086 50 0 GEAARO COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1)[NH+]1CCCC1 ZINC000027571520 207327410 /nfs/dbraw/zinc/32/74/10/207327410.db2.gz IVVNEDPDMSZERU-LJQANCHMSA-N 1 0 381.476 2.378 50 0 GEAARO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc2ncn(C)c(=O)c12 ZINC000027593512 207328939 /nfs/dbraw/zinc/32/89/39/207328939.db2.gz ICUZKCFHPYXHLL-CQSZACIVSA-N 1 0 388.468 2.475 50 0 GEAARO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)sc2ncn(C)c(=O)c12 ZINC000027593509 207329087 /nfs/dbraw/zinc/32/90/87/207329087.db2.gz ICUZKCFHPYXHLL-AWEZNQCLSA-N 1 0 388.468 2.475 50 0 GEAARO C[NH+](C)CCSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 ZINC000031812621 207387495 /nfs/dbraw/zinc/38/74/95/207387495.db2.gz GMUABMGTZVEOHL-UHFFFAOYSA-N 1 0 377.495 2.032 50 0 GEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1C(C)C ZINC000032520359 207397454 /nfs/dbraw/zinc/39/74/54/207397454.db2.gz LQRJNYGYAATDRL-SJORKVTESA-N 1 0 387.446 2.409 50 0 GEAARO O=c1ccc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000033077152 207437364 /nfs/dbraw/zinc/43/73/64/207437364.db2.gz NQLRTRMEVQDEIQ-UHFFFAOYSA-N 1 0 397.500 2.471 50 0 GEAARO CC[NH+](CC)CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254488 207445019 /nfs/dbraw/zinc/44/50/19/207445019.db2.gz NGGWORNPKWKBDV-UHFFFAOYSA-N 1 0 395.569 2.326 50 0 GEAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000043274140 207631058 /nfs/dbraw/zinc/63/10/58/207631058.db2.gz VBCLTGNNCDGOKJ-UHFFFAOYSA-N 1 0 389.521 2.367 50 0 GEAARO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000299740052 207650057 /nfs/dbraw/zinc/65/00/57/207650057.db2.gz VALAMEDREPZMHZ-AWEZNQCLSA-N 1 0 381.402 2.266 50 0 GEAARO CCn1c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966188 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388.512 2.405 50 0 GEAARO COc1cccc(OC)c1C(=O)N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077407254 208044482 /nfs/dbraw/zinc/04/44/82/208044482.db2.gz DLRHOTUDNKBWGR-MRXNPFEDSA-N 1 0 375.513 2.192 50 0 GEAARO C[NH+](C)CCN1CC2(CCN(C(=O)CCCc3cccs3)CC2)OC1=O ZINC000077459915 208046345 /nfs/dbraw/zinc/04/63/45/208046345.db2.gz DRUBSWKOCPCPSP-UHFFFAOYSA-N 1 0 379.526 2.446 50 0 GEAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCCn3nc(CNS(C)(=O)=O)cc3C1)=CC2 ZINC000082083776 208076196 /nfs/dbraw/zinc/07/61/96/208076196.db2.gz BYFXOUKOICHDJY-YJBOKZPZSA-N 1 0 378.542 2.130 50 0 GEAARO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000082056235 208076447 /nfs/dbraw/zinc/07/64/47/208076447.db2.gz APRGEGGNGSHQDK-JTHBVZDNSA-N 1 0 384.520 2.072 50 0 GEAARO Cc1nn(CC(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)cc1Cl ZINC000082108530 208080024 /nfs/dbraw/zinc/08/00/24/208080024.db2.gz BSEOTVRZDBWIDE-UHFFFAOYSA-N 1 0 378.908 2.220 50 0 GEAARO C/C=C/CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 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COc1cccc([C@H]2CN(C(=O)c3ccc(N)nc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072145589 570871468 /nfs/dbraw/zinc/87/14/68/570871468.db2.gz ARYGPNLDBPWCKU-HMXCVIKNSA-N 1 0 378.476 2.375 50 0 GEAARO Cc1nc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1C ZINC000072150267 570873193 /nfs/dbraw/zinc/87/31/93/570873193.db2.gz YBDORPNHLIVNCT-SFHVURJKSA-N 1 0 376.526 2.056 50 0 GEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2ccc(C)c(C)c2NC1=O ZINC000103087971 570874464 /nfs/dbraw/zinc/87/44/64/570874464.db2.gz PCCPNCHLBHQKNC-DVSDUFGPSA-N 1 0 381.476 2.330 50 0 GEAARO COc1ccccc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000072168410 570876873 /nfs/dbraw/zinc/87/68/73/570876873.db2.gz WEEQEWYKHMDOKO-LJQANCHMSA-N 1 0 387.524 2.424 50 0 GEAARO COc1cccc([C@@H]2CN(C(=O)c3cnc(C)cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072167991 570877058 /nfs/dbraw/zinc/87/70/58/570877058.db2.gz QVFNWOKMQQMSMJ-CEWLAPEOSA-N 1 0 378.476 2.496 50 0 GEAARO COC1(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)CC[NH2+]CC1 ZINC000151661618 570897315 /nfs/dbraw/zinc/89/73/15/570897315.db2.gz XETLFXIVXSETAW-UHFFFAOYSA-N 1 0 375.856 2.257 50 0 GEAARO COC[C@H](NC(=O)N1CCC[N@H+](Cc2cccs2)CC1)c1ccnn1C ZINC000534578925 570902103 /nfs/dbraw/zinc/90/21/03/570902103.db2.gz XPTZQEIXCFZQAU-INIZCTEOSA-N 1 0 377.514 2.087 50 0 GEAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1nc(Cc3ccccc3)no1)C2 ZINC000534579791 570902566 /nfs/dbraw/zinc/90/25/66/570902566.db2.gz MCDJFZQDAALYDW-ROUUACIJSA-N 1 0 383.496 2.329 50 0 GEAARO CCc1ccccc1OC1CN(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000534592162 570906995 /nfs/dbraw/zinc/90/69/95/570906995.db2.gz WOHUQDZJRTZNEE-UHFFFAOYSA-N 1 0 386.540 2.049 50 0 GEAARO NC(=O)c1cc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)cs1 ZINC000534633044 570910962 /nfs/dbraw/zinc/91/09/62/570910962.db2.gz OACLJSOJZUVEJC-KRWDZBQOSA-N 1 0 387.505 2.091 50 0 GEAARO CN(Cc1ccccc1Br)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237146690 570944003 /nfs/dbraw/zinc/94/40/03/570944003.db2.gz BEQJREXSHWBVKQ-UHFFFAOYSA-N 1 0 378.274 2.237 50 0 GEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cn2)CC1 ZINC000106104249 570948013 /nfs/dbraw/zinc/94/80/13/570948013.db2.gz UJZRPQFQJIJSKY-IBGZPJMESA-N 1 0 380.492 2.091 50 0 GEAARO CSc1nc2nc(C)c(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000052954921 570958826 /nfs/dbraw/zinc/95/88/26/570958826.db2.gz GBJDDABZXLVCRC-ZDUSSCGKSA-N 1 0 390.557 2.386 50 0 GEAARO COCC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC000252479887 570967332 /nfs/dbraw/zinc/96/73/32/570967332.db2.gz BORUZRFIYCXSQM-INIZCTEOSA-N 1 0 378.492 2.157 50 0 GEAARO O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252523299 570988146 /nfs/dbraw/zinc/98/81/46/570988146.db2.gz CHMOFTQDVVEPCK-CEXWTWQISA-N 1 0 398.507 2.082 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)CC1 ZINC000065312762 570993719 /nfs/dbraw/zinc/99/37/19/570993719.db2.gz BDRREAXEPDICNV-OAHLLOKOSA-N 1 0 390.919 2.152 50 0 GEAARO C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000054688963 570994609 /nfs/dbraw/zinc/99/46/09/570994609.db2.gz IEDYYCCBLJTLGX-DZGCQCFKSA-N 1 0 381.318 2.279 50 0 GEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC1CCN(CC(F)(F)F)CC1 ZINC000065510023 571001036 /nfs/dbraw/zinc/00/10/36/571001036.db2.gz GOGJMJUAYAIXDE-UHFFFAOYSA-N 1 0 384.446 2.371 50 0 GEAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1 ZINC000045944282 571005031 /nfs/dbraw/zinc/00/50/31/571005031.db2.gz KQONTQRCCPAQEE-UHFFFAOYSA-N 1 0 395.569 2.108 50 0 GEAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045944755 571005748 /nfs/dbraw/zinc/00/57/48/571005748.db2.gz LYCBPBCTGFBEGH-UHFFFAOYSA-N 1 0 395.569 2.108 50 0 GEAARO COc1cccc([C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)[NH+](C)C)c1 ZINC000007684438 571015782 /nfs/dbraw/zinc/01/57/82/571015782.db2.gz HPEXNVULOAKGPO-LJQANCHMSA-N 1 0 395.459 2.100 50 0 GEAARO CNc1ncc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095517928 571084978 /nfs/dbraw/zinc/08/49/78/571084978.db2.gz CFIYXIRQBISGTL-IPMKNSEASA-N 1 0 381.455 2.360 50 0 GEAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)S(=O)(=O)N1CCCC1 ZINC000095523318 571088857 /nfs/dbraw/zinc/08/88/57/571088857.db2.gz OEEVRJYUZUPSDN-KRWDZBQOSA-N 1 0 383.533 2.353 50 0 GEAARO CCOc1ccc2nc(NC(=O)CSc3nc(N)cc(N)[nH+]3)sc2c1 ZINC000002876533 642320369 /nfs/dbraw/zinc/32/03/69/642320369.db2.gz PDKWDMJAUKXWCB-UHFFFAOYSA-N 1 0 376.467 2.380 50 0 GEAARO CC(C)[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000292536937 647198951 /nfs/dbraw/zinc/19/89/51/647198951.db2.gz GATCRMQGBVIHEE-INIZCTEOSA-N 1 0 384.318 2.022 50 0 GEAARO O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409415204 231203855 /nfs/dbraw/zinc/20/38/55/231203855.db2.gz WVFGUNZVJODHLD-NZSAHSFTSA-N 1 0 398.507 2.272 50 0 GEAARO CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017317404 210210409 /nfs/dbraw/zinc/21/04/09/210210409.db2.gz RTBMZPIVNDJCFW-UHFFFAOYSA-N 1 0 390.505 2.396 50 0 GEAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000017305755 210208385 /nfs/dbraw/zinc/20/83/85/210208385.db2.gz MDOYBAYRHKJTRI-HNNXBMFYSA-N 1 0 393.447 2.305 50 0 GEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)n1 ZINC000017296734 210207597 /nfs/dbraw/zinc/20/75/97/210207597.db2.gz MGYNYWWTFFCHTL-UHFFFAOYSA-N 1 0 385.468 2.196 50 0 GEAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015989834 210181400 /nfs/dbraw/zinc/18/14/00/210181400.db2.gz ZXZVNLHYBSEJJL-QPXQOZNCSA-N 1 0 387.439 2.426 50 0 GEAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(C)c2)c1 ZINC000015864103 210175843 /nfs/dbraw/zinc/17/58/43/210175843.db2.gz XFOQXWDCNNUILP-UHFFFAOYSA-N 1 0 381.476 2.078 50 0 GEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(CCc2ccccc2OC)o1 ZINC000015075077 210149565 /nfs/dbraw/zinc/14/95/65/210149565.db2.gz CHJTVIMPCCASGF-QGZVFWFLSA-N 1 0 386.496 2.397 50 0 GEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000015063682 210144744 /nfs/dbraw/zinc/14/47/44/210144744.db2.gz WUWAJHNZCZYSAN-GOSISDBHSA-N 1 0 385.508 2.243 50 0 GEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000014983945 210141559 /nfs/dbraw/zinc/14/15/59/210141559.db2.gz BRROOSYSCAONBV-CQSZACIVSA-N 1 0 383.448 2.408 50 0 GEAARO CCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014947932 210130354 /nfs/dbraw/zinc/13/03/54/210130354.db2.gz TUORGYLDLXVKSJ-LJQANCHMSA-N 1 0 386.540 2.251 50 0 GEAARO Cc1cc(C[NH2+][C@@H]2CCc3c(c(C(=O)NCCc4ccccc4)nn3C)C2)on1 ZINC000014531372 210119893 /nfs/dbraw/zinc/11/98/93/210119893.db2.gz RXKCDGGDVUTQOI-QGZVFWFLSA-N 1 0 393.491 2.336 50 0 GEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000014536103 210118609 /nfs/dbraw/zinc/11/86/09/210118609.db2.gz YLSWRXNTZYTVDH-QGZVFWFLSA-N 1 0 375.561 2.174 50 0 GEAARO CCC[NH+]1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC ZINC000014536686 210119056 /nfs/dbraw/zinc/11/90/56/210119056.db2.gz YFVRPLLJFKUNCF-UHFFFAOYSA-N 1 0 389.496 2.350 50 0 GEAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2Cc1ccccc1 ZINC000014534087 210118786 /nfs/dbraw/zinc/11/87/86/210118786.db2.gz KZNSOFXVCHOXOJ-INIZCTEOSA-N 1 0 387.480 2.257 50 0 GEAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)C[C@H]1CCC(=O)N1 ZINC000012759487 210002799 /nfs/dbraw/zinc/00/27/99/210002799.db2.gz PNIZDIJLRWOVQD-LJQANCHMSA-N 1 0 375.488 2.207 50 0 GEAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn(C)nc2C)cc1 ZINC000011880640 209892514 /nfs/dbraw/zinc/89/25/14/209892514.db2.gz HKJKCLVBNCJSQH-LJQANCHMSA-N 1 0 384.480 2.186 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)Cc1csc(N2CCCC2=O)n1)c1ccsc1 ZINC000025331020 531612997 /nfs/dbraw/zinc/61/29/97/531612997.db2.gz MWWGSALJRYBOHI-AWEZNQCLSA-N 1 0 378.523 2.293 50 0 GEAARO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2cc(F)c(F)cc21 ZINC000155497069 531686239 /nfs/dbraw/zinc/68/62/39/531686239.db2.gz VGDHEJLEUFWCTL-TVQRCGJNSA-N 1 0 384.370 2.410 50 0 GEAARO COCC[N@H+](C)CCNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306968 531918418 /nfs/dbraw/zinc/91/84/18/531918418.db2.gz PUVBWMSWJBAKAF-QGZVFWFLSA-N 1 0 398.345 2.280 50 0 GEAARO [NH3+][C@@H]1CCN(C(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)C1 ZINC000299739588 532737053 /nfs/dbraw/zinc/73/70/53/532737053.db2.gz QKZFXOJTQNJTOZ-LLVKDONJSA-N 1 0 392.253 2.389 50 0 GEAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000002183626 209348846 /nfs/dbraw/zinc/34/88/46/209348846.db2.gz OMNWLCKJJCHDRR-SFHVURJKSA-N 1 0 386.496 2.024 50 0 GEAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000010331948 209330456 /nfs/dbraw/zinc/33/04/56/209330456.db2.gz BALWYWWOFZFLFJ-KRWDZBQOSA-N 1 0 383.448 2.124 50 0 GEAARO CCCn1ncnc1[C@H](C)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000299803187 212041364 /nfs/dbraw/zinc/04/13/64/212041364.db2.gz ZMTYZHWBQDTWCB-SFHVURJKSA-N 1 0 384.528 2.386 50 0 GEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cc2ccc(Cl)cc2nc1N1CCOCC1 ZINC000299782715 212037793 /nfs/dbraw/zinc/03/77/93/212037793.db2.gz HQRWABMFNSFAIA-KRWDZBQOSA-N 1 0 388.899 2.483 50 0 GEAARO CCC(=O)Nc1cc(NC(=O)NCC2([NH+](C)C)CCN(C)CC2)ccc1C ZINC000299785450 212037229 /nfs/dbraw/zinc/03/72/29/212037229.db2.gz ZXTDZWTUPILQJK-UHFFFAOYSA-N 1 0 375.517 2.491 50 0 GEAARO OCC[NH2+]CCNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491784 212029743 /nfs/dbraw/zinc/02/97/43/212029743.db2.gz JFSUDVVFNGCERS-UHFFFAOYSA-N 1 0 385.899 2.318 50 0 GEAARO CNN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000261492673 212029070 /nfs/dbraw/zinc/02/90/70/212029070.db2.gz FBRJPOOTOJNSTG-SFHVURJKSA-N 1 0 398.555 2.108 50 0 GEAARO CC1(C)CCC[N@@H+]1Cc1cn(CC2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 ZINC000023431347 209176339 /nfs/dbraw/zinc/17/63/39/209176339.db2.gz XBAAXHRRFCGTCS-SFHVURJKSA-N 1 0 375.517 2.070 50 0 GEAARO COc1cc(Br)c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1OC ZINC000106379465 209160726 /nfs/dbraw/zinc/16/07/26/209160726.db2.gz QULDFMAVXKCNLK-CQSZACIVSA-N 1 0 385.302 2.419 50 0 GEAARO COc1ccc(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127431 211786520 /nfs/dbraw/zinc/78/65/20/211786520.db2.gz FKJHBCVANFUGLE-UHFFFAOYSA-N 1 0 395.503 2.340 50 0 GEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1 ZINC000237209091 211471882 /nfs/dbraw/zinc/47/18/82/211471882.db2.gz LMNQSBKLPVQGOR-NSHDSACASA-N 1 0 377.304 2.078 50 0 GEAARO COCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237110013 211457917 /nfs/dbraw/zinc/45/79/17/211457917.db2.gz KMDSBEBVSMUXLA-TZMCWYRMSA-N 1 0 376.906 2.256 50 0 GEAARO O=C1C[C@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000100888080 211392814 /nfs/dbraw/zinc/39/28/14/211392814.db2.gz IMMBZXHOHDEYNV-XLNTUCKNSA-N 1 0 376.416 2.241 50 0 GEAARO CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000097137623 211360790 /nfs/dbraw/zinc/36/07/90/211360790.db2.gz GGISHRVLLLSBAO-QGZVFWFLSA-N 1 0 388.512 2.355 50 0 GEAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCCC3)c2)C1 ZINC000097675547 211370831 /nfs/dbraw/zinc/37/08/31/211370831.db2.gz BRCZLSZJVYHPCZ-MRXNPFEDSA-N 1 0 379.526 2.062 50 0 GEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)C1 ZINC000097594862 211366589 /nfs/dbraw/zinc/36/65/89/211366589.db2.gz JXZUKQKKHPELLZ-CVEARBPZSA-N 1 0 377.876 2.114 50 0 GEAARO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2CO)cc1N1CCCC1=O ZINC000097402580 211364441 /nfs/dbraw/zinc/36/44/41/211364441.db2.gz MOUXXGUZURODCP-SFHVURJKSA-N 1 0 388.512 2.480 50 0 GEAARO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000096012850 211295269 /nfs/dbraw/zinc/29/52/69/211295269.db2.gz RMNFVDRZESMFIJ-AWEZNQCLSA-N 1 0 396.447 2.346 50 0 GEAARO COCCNC(=O)c1ccc(OC2CCN(C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000095528020 211271598 /nfs/dbraw/zinc/27/15/98/211271598.db2.gz IQNFPAYQWCUDLI-UHFFFAOYSA-N 1 0 395.931 2.311 50 0 GEAARO C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)CCc2ccc(O)cc2)CC3)C1 ZINC000095525193 211269428 /nfs/dbraw/zinc/26/94/28/211269428.db2.gz WPXFEGXVMQWKTC-LJQANCHMSA-N 1 0 399.535 2.260 50 0 GEAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CC[C@@H](O)C1 ZINC000095521313 211267648 /nfs/dbraw/zinc/26/76/48/211267648.db2.gz RQUBTHLQSJMKQY-GOSISDBHSA-N 1 0 381.476 2.332 50 0 GEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cnc(C)nc2)CC1 ZINC000095518688 211264970 /nfs/dbraw/zinc/26/49/70/211264970.db2.gz IKSLREUBWATQAU-LJQANCHMSA-N 1 0 387.528 2.018 50 0 GEAARO COc1ncccc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095497907 211251486 /nfs/dbraw/zinc/25/14/86/211251486.db2.gz ITRKMSROHMINGL-UHFFFAOYSA-N 1 0 383.496 2.459 50 0 GEAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C[C@@H]4CNC(=O)O4)CC3)cc2)n1 ZINC000095504649 211255905 /nfs/dbraw/zinc/25/59/05/211255905.db2.gz OUBUMDTXLRTKQR-IBGZPJMESA-N 1 0 397.479 2.248 50 0 GEAARO C[NH+](C)[C@H]1CN(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)C[C@@H]1O ZINC000095504219 211254639 /nfs/dbraw/zinc/25/46/39/211254639.db2.gz MOAHJKOGWXBCLE-GJZGRUSLSA-N 1 0 383.408 2.135 50 0 GEAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 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Cc1cc(C)nc(N2CCC([NH2+]CCc3nc(-c4cccnc4)n[nH]3)CC2)n1 ZINC000095378427 136178749 /nfs/dbraw/zinc/17/87/49/136178749.db2.gz BXDYDDBSYXEYNR-UHFFFAOYSA-N 1 0 378.484 2.075 50 0 GEAARO Cc1cc(N2CCN(C(=O)Nc3ccnn3C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000095498429 136179687 /nfs/dbraw/zinc/17/96/87/136179687.db2.gz PATANCRVAZHDDA-UHFFFAOYSA-N 1 0 384.488 2.423 50 0 GEAARO Cc1csc2c1ncnc2N1CCC([NH2+]CCSc2nc[nH]n2)CC1 ZINC000095518669 136180840 /nfs/dbraw/zinc/18/08/40/136180840.db2.gz VRFFHJIAUARANL-UHFFFAOYSA-N 1 0 375.527 2.469 50 0 GEAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000095994289 136183069 /nfs/dbraw/zinc/18/30/69/136183069.db2.gz NFOPZTMDPROIGN-UWVAXJGDSA-N 1 0 375.513 2.333 50 0 GEAARO CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000097742868 136188742 /nfs/dbraw/zinc/18/87/42/136188742.db2.gz GRLRPPPLLUMHMH-GOSISDBHSA-N 1 0 375.513 2.092 50 0 GEAARO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000098087058 136188961 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CC(C)Cc1nc(CNC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)no1 ZINC000426555404 528667405 /nfs/dbraw/zinc/66/74/05/528667405.db2.gz FYOODFDPGRIQDV-UHFFFAOYSA-N 1 0 386.500 2.469 50 0 GEAARO O=C(C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)NC1CCCC1 ZINC000047936941 570216845 /nfs/dbraw/zinc/21/68/45/570216845.db2.gz NMCDAVPSWUARJU-UHFFFAOYSA-N 1 0 375.488 2.255 50 0 GEAARO CCc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1ccc(OC)nn1 ZINC000048159109 570219369 /nfs/dbraw/zinc/21/93/69/570219369.db2.gz LBSNRIUVUOIBBK-HNNXBMFYSA-N 1 0 386.500 2.228 50 0 GEAARO CNC(=O)CNC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000584903238 570270520 /nfs/dbraw/zinc/27/05/20/570270520.db2.gz NFOBFWIOAZRAFC-UHFFFAOYSA-N 1 0 380.492 2.363 50 0 GEAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667975 570292674 /nfs/dbraw/zinc/29/26/74/570292674.db2.gz KYFVTEUBMKBQTD-HXUWFJFHSA-N 1 0 398.507 2.242 50 0 GEAARO CC1CCN(C(=O)COc2ccc(C[N@H+](C)C[C@@H]3COCCO3)cc2)CC1 ZINC000215997612 570294266 /nfs/dbraw/zinc/29/42/66/570294266.db2.gz VPYQGBSCKAIUBP-HXUWFJFHSA-N 1 0 376.497 2.171 50 0 GEAARO CC[NH+](CC)CCNC(=O)[C@@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944792 570299167 /nfs/dbraw/zinc/29/91/67/570299167.db2.gz CERBUBGVFBCAJX-GFCCVEGCSA-N 1 0 384.402 2.434 50 0 GEAARO CNS(=O)(=O)c1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C)c1C ZINC000010816726 570304001 /nfs/dbraw/zinc/30/40/01/570304001.db2.gz KXVHJDRZIMGGIR-UHFFFAOYSA-N 1 0 381.542 2.251 50 0 GEAARO CC[C@H](C)N(CC(=O)[O-])CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000236953645 570305929 /nfs/dbraw/zinc/30/59/29/570305929.db2.gz UWUBJOGWANLAHX-SFHVURJKSA-N 1 0 375.513 2.214 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cn2)CC1 ZINC000022237998 570309958 /nfs/dbraw/zinc/30/99/58/570309958.db2.gz XICBNZRMUIPHPM-QGZVFWFLSA-N 1 0 393.491 2.363 50 0 GEAARO Cc1ccoc1C(=O)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023359808 570322129 /nfs/dbraw/zinc/32/21/29/570322129.db2.gz YLYADPWYYUFJQV-NHCUHLMSSA-N 1 0 397.519 2.024 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)NCc1ccccc1)c1cccc(F)c1 ZINC000022682907 570324279 /nfs/dbraw/zinc/32/42/79/570324279.db2.gz HKBRDWRKYMDSGP-IBGZPJMESA-N 1 0 386.471 2.434 50 0 GEAARO CC[NH+](CC)CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022704440 570325379 /nfs/dbraw/zinc/32/53/79/570325379.db2.gz VWYZXDUMOBTAJY-UHFFFAOYSA-N 1 0 395.569 2.252 50 0 GEAARO COCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237110289 570328943 /nfs/dbraw/zinc/32/89/43/570328943.db2.gz DBQVRAFDTRXPKU-JSGCOSHPSA-N 1 0 376.906 2.113 50 0 GEAARO OCCOc1cccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000022919155 570335638 /nfs/dbraw/zinc/33/56/38/570335638.db2.gz QOQBWOCOOISTOJ-SFHVURJKSA-N 1 0 376.522 2.188 50 0 GEAARO CCc1cccc(N2C[C@H](C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2=O)c1 ZINC000023019650 570340419 /nfs/dbraw/zinc/34/04/19/570340419.db2.gz UYCFLTMQBJZQSU-UYAOXDASSA-N 1 0 387.524 2.075 50 0 GEAARO CCC[NH+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)CC1 ZINC000023641769 570367597 /nfs/dbraw/zinc/36/75/97/570367597.db2.gz NWJGNVLXDZMBKS-GOSISDBHSA-N 1 0 377.554 2.401 50 0 GEAARO Cn1c2ccccc2n(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1=O ZINC000023742402 570371206 /nfs/dbraw/zinc/37/12/06/570371206.db2.gz DOJPWVSLPSLOQX-HXUWFJFHSA-N 1 0 378.476 2.293 50 0 GEAARO C[C@@H]1CCCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)[C@H]1C[NH3+] ZINC000237485402 570372505 /nfs/dbraw/zinc/37/25/05/570372505.db2.gz POGRCUZBSNGWPV-QAPCUYQASA-N 1 0 382.526 2.225 50 0 GEAARO CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21 ZINC000004413440 570374445 /nfs/dbraw/zinc/37/44/45/570374445.db2.gz DTCQXSFBETURSZ-UHFFFAOYSA-N 1 0 378.436 2.299 50 0 GEAARO O=c1cc(C[NH2+]Cc2ccc3c(c2)OCO3)nc2ccc(Br)cn12 ZINC000008395100 570376823 /nfs/dbraw/zinc/37/68/23/570376823.db2.gz QTNYEKPOLAUBED-UHFFFAOYSA-N 1 0 388.221 2.476 50 0 GEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000004592207 570386328 /nfs/dbraw/zinc/38/63/28/570386328.db2.gz JOGYVXLNYCPREY-UHFFFAOYSA-N 1 0 389.496 2.208 50 0 GEAARO Cc1c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237749955 570393710 /nfs/dbraw/zinc/39/37/10/570393710.db2.gz DFYSTRMCIBCQEN-GOSISDBHSA-N 1 0 383.496 2.190 50 0 GEAARO C[NH+]1CCN(CCNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)CC1 ZINC000035560092 570396671 /nfs/dbraw/zinc/39/66/71/570396671.db2.gz OFLLJBVXTWYMKG-UHFFFAOYSA-N 1 0 395.482 2.201 50 0 GEAARO CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(OC)c(F)c1 ZINC000027363026 570433812 /nfs/dbraw/zinc/43/38/12/570433812.db2.gz TVHXATXUJDISDX-UHFFFAOYSA-N 1 0 382.457 2.383 50 0 GEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000053991246 570436748 /nfs/dbraw/zinc/43/67/48/570436748.db2.gz WZXIUOVSPOFCRC-SFHVURJKSA-N 1 0 399.539 2.090 50 0 GEAARO C[NH+](C)CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000005508985 570443568 /nfs/dbraw/zinc/44/35/68/570443568.db2.gz XTITXJORTMORTD-UHFFFAOYSA-N 1 0 389.521 2.334 50 0 GEAARO Cc1nc(C)c(CC(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)c(=O)[nH]1 ZINC000135012220 570470142 /nfs/dbraw/zinc/47/01/42/570470142.db2.gz MATSLQDUYGKJJI-UHFFFAOYSA-N 1 0 384.480 2.433 50 0 GEAARO Cc1noc(-c2nn(C)c3c2CN(C(=O)CC2CC[NH+](C(C)C)CC2)CC3)n1 ZINC000064566274 570482175 /nfs/dbraw/zinc/48/21/75/570482175.db2.gz NBSLTCQAIDZROP-UHFFFAOYSA-N 1 0 386.500 2.174 50 0 GEAARO CC[C@H](CNC(=O)c1ccccc1OCC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000029912570 570482537 /nfs/dbraw/zinc/48/25/37/570482537.db2.gz BNLRWAMTFQOIEU-GOSISDBHSA-N 1 0 381.476 2.117 50 0 GEAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1-n1cnnn1 ZINC000061721559 570504405 /nfs/dbraw/zinc/50/44/05/570504405.db2.gz VNKKSWHIJLYEMO-UHFFFAOYSA-N 1 0 376.464 2.365 50 0 GEAARO CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccn3)CC1)n2C ZINC000005207663 570506503 /nfs/dbraw/zinc/50/65/03/570506503.db2.gz CCQIILDXONQVBX-UHFFFAOYSA-N 1 0 378.480 2.291 50 0 GEAARO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCC(C)C)c(C)c1 ZINC000036098867 570536528 /nfs/dbraw/zinc/53/65/28/570536528.db2.gz SWJOZXOGUIGGKK-JOCHJYFZSA-N 1 0 378.557 2.471 50 0 GEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000005043873 570541117 /nfs/dbraw/zinc/54/11/17/570541117.db2.gz UPYKCSUZENRGLL-LJQANCHMSA-N 1 0 381.432 2.118 50 0 GEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)C1 ZINC000064775912 570542706 /nfs/dbraw/zinc/54/27/06/570542706.db2.gz ZJUZNBWUJIXPOC-MRXNPFEDSA-N 1 0 395.507 2.126 50 0 GEAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022765645 570543297 /nfs/dbraw/zinc/54/32/97/570543297.db2.gz KMZGWSFZSGPLBH-SFHVURJKSA-N 1 0 377.485 2.371 50 0 GEAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022778447 570547351 /nfs/dbraw/zinc/54/73/51/570547351.db2.gz JTCGJEOMDPZHFB-IBGZPJMESA-N 1 0 395.475 2.232 50 0 GEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2scc(C)n2c1=O ZINC000022852914 570556383 /nfs/dbraw/zinc/55/63/83/570556383.db2.gz NUAFOXDVASFBCD-ZDUSSCGKSA-N 1 0 378.498 2.154 50 0 GEAARO C[C@@H](CCNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21)[NH+]1CCCC1 ZINC000064839674 570560678 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O=C(Nc1ccnn1C1CC[NH+](CCCn2cccn2)CC1)c1cccnc1 ZINC000011753617 570581058 /nfs/dbraw/zinc/58/10/58/570581058.db2.gz AOJUUSCCVXOWLN-UHFFFAOYSA-N 1 0 379.468 2.454 50 0 GEAARO COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011813906 570583458 /nfs/dbraw/zinc/58/34/58/570583458.db2.gz BRNRBURGGLVIGA-LJQANCHMSA-N 1 0 390.524 2.045 50 0 GEAARO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc(-n2cccn2)c1 ZINC000011842878 570587687 /nfs/dbraw/zinc/58/76/87/570587687.db2.gz WNIFXEIYCAIGQU-HXUWFJFHSA-N 1 0 397.523 2.067 50 0 GEAARO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000011869059 570589006 /nfs/dbraw/zinc/58/90/06/570589006.db2.gz WNRASGOYVLDZRI-UHFFFAOYSA-N 1 0 399.495 2.396 50 0 GEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cc[n+]([O-])cc2)CC1 ZINC000011873968 570589246 /nfs/dbraw/zinc/58/92/46/570589246.db2.gz JDGFEWKNUCMKGR-UHFFFAOYSA-N 1 0 383.492 2.355 50 0 GEAARO CC[NH+](CC)CCNC(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 ZINC000011879385 570590998 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2.199 50 0 GEAARO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000626468645 652393608 /nfs/dbraw/zinc/39/36/08/652393608.db2.gz QFRRXFPNEHUDPX-UHFFFAOYSA-N 1 0 397.317 2.375 50 0 GEAARO CCN1CC[NH+](C2CCN(Cc3nc(COc4ccccc4)no3)CC2)CC1 ZINC000019536504 210259549 /nfs/dbraw/zinc/25/95/49/210259549.db2.gz WLNHZIVOJMIPAO-UHFFFAOYSA-N 1 0 385.512 2.251 50 0 GEAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1[C@H](C)c1ccccc1 ZINC000019526419 210257183 /nfs/dbraw/zinc/25/71/83/210257183.db2.gz ZQVKBJZEOXFPOG-CQSZACIVSA-N 1 0 384.484 2.199 50 0 GEAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1)N1CCOCC1 ZINC000245613581 231041273 /nfs/dbraw/zinc/04/12/73/231041273.db2.gz LYWLPZXYLIJOHE-NHCUHLMSSA-N 1 0 388.508 2.458 50 0 GEAARO COc1cc2c(cc1NC(=O)NCC[NH+](C(C)C)C(C)C)n(C)c(=O)n2C ZINC000426406101 231217054 /nfs/dbraw/zinc/21/70/54/231217054.db2.gz KNLFPTZYIKAQMQ-UHFFFAOYSA-N 1 0 377.489 2.126 50 0 GEAARO O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000409415203 231203486 /nfs/dbraw/zinc/20/34/86/231203486.db2.gz WVFGUNZVJODHLD-NEWSRXKRSA-N 1 0 398.507 2.272 50 0 GEAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1 ZINC000426634092 231248328 /nfs/dbraw/zinc/24/83/28/231248328.db2.gz DHWAEZFRJZMXGW-QFIPXVFZSA-N 1 0 376.460 2.053 50 0 GEAARO NC(=O)C1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)CC1 ZINC000426698142 231253488 /nfs/dbraw/zinc/25/34/88/231253488.db2.gz ASXGBAJEAZFZRN-QGZVFWFLSA-N 1 0 378.904 2.384 50 0 GEAARO CCN(CC)CC[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000019300713 210240035 /nfs/dbraw/zinc/24/00/35/210240035.db2.gz FSPOJXYKAYRODZ-HNNXBMFYSA-N 1 0 389.569 2.200 50 0 GEAARO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228492 210233420 /nfs/dbraw/zinc/23/34/20/210233420.db2.gz RRYRXNDYILJHPX-NRFANRHFSA-N 1 0 375.557 2.437 50 0 GEAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)[C@H]1O ZINC000019111699 210225928 /nfs/dbraw/zinc/22/59/28/210225928.db2.gz VJIYSZVLZQJXRH-UXHICEINSA-N 1 0 380.492 2.438 50 0 GEAARO Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2=O ZINC000016599567 210191578 /nfs/dbraw/zinc/19/15/78/210191578.db2.gz YLCZDZGVKPNYOJ-LJQANCHMSA-N 1 0 379.460 2.400 50 0 GEAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)c1N ZINC000015825747 210171007 /nfs/dbraw/zinc/17/10/07/210171007.db2.gz LTNVCVDOSPOLMS-UHFFFAOYSA-N 1 0 399.495 2.237 50 0 GEAARO O=C(NCCCO)c1cn(C2CC[NH+](Cc3cc4ccccc4s3)CC2)nn1 ZINC000015067396 210147793 /nfs/dbraw/zinc/14/77/93/210147793.db2.gz ROFFNJLAJVUXHA-UHFFFAOYSA-N 1 0 399.520 2.442 50 0 GEAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C(=O)OC)cc3)C2)nn1 ZINC000014994292 210140963 /nfs/dbraw/zinc/14/09/63/210140963.db2.gz MZKJMGICOIFGNX-GOSISDBHSA-N 1 0 399.495 2.384 50 0 GEAARO O=C(c1cn(C2CC[NH+](CCCc3ccccc3)CC2)nn1)N1CCOCC1 ZINC000014992715 210140999 /nfs/dbraw/zinc/14/09/99/210140999.db2.gz VQMPMLILXAYFKJ-UHFFFAOYSA-N 1 0 383.496 2.020 50 0 GEAARO CN(C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000014977473 210139140 /nfs/dbraw/zinc/13/91/40/210139140.db2.gz KRDRVCJGEWUFMH-KRWDZBQOSA-N 1 0 375.488 2.159 50 0 GEAARO CCC[N@@H+](Cc1ccc(C(=O)NCCn2nc(C)cc2C)c(=O)[nH]1)CC1CC1 ZINC000014976381 210137476 /nfs/dbraw/zinc/13/74/76/210137476.db2.gz HLPQWPXCAFEBRL-UHFFFAOYSA-N 1 0 385.512 2.240 50 0 GEAARO COCC[NH+]1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 ZINC000014967727 210136128 /nfs/dbraw/zinc/13/61/28/210136128.db2.gz NLIGGKKHBHXBPQ-UHFFFAOYSA-N 1 0 391.903 2.068 50 0 GEAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014537278 210120250 /nfs/dbraw/zinc/12/02/50/210120250.db2.gz FLGOCPZPWNTOHW-UHFFFAOYSA-N 1 0 395.507 2.200 50 0 GEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000014536102 210119399 /nfs/dbraw/zinc/11/93/99/210119399.db2.gz YLSWRXNTZYTVDH-KRWDZBQOSA-N 1 0 375.561 2.174 50 0 GEAARO COc1cc(C[NH2+]CCOCCO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731503 210086019 /nfs/dbraw/zinc/08/60/19/210086019.db2.gz GTDKVFMGWSDHNI-UHFFFAOYSA-N 1 0 388.464 2.120 50 0 GEAARO CCC(CC)[C@@H](CNC(=O)CCn1c2ccccc2oc1=O)[NH+]1CCOCC1 ZINC000012779547 210008043 /nfs/dbraw/zinc/00/80/43/210008043.db2.gz WYDPBHPATSEAME-GOSISDBHSA-N 1 0 389.496 2.238 50 0 GEAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000012765760 210004934 /nfs/dbraw/zinc/00/49/34/210004934.db2.gz CGAQYWPXYPQCOD-ZDUSSCGKSA-N 1 0 390.461 2.151 50 0 GEAARO CN1N=C(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)CCC1=O ZINC000012764297 210004772 /nfs/dbraw/zinc/00/47/72/210004772.db2.gz KZOHSMHNFRXUDK-JOCHJYFZSA-N 1 0 382.508 2.152 50 0 GEAARO O=C(CN1CCCC1=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012474795 209962507 /nfs/dbraw/zinc/96/25/07/209962507.db2.gz RPQXITWKEATZFL-FQEVSTJZSA-N 1 0 391.556 2.271 50 0 GEAARO COCC[NH+]1CCC(CNc2nncc(-c3c(OC)cccc3OC)n2)CC1 ZINC000012439973 209957430 /nfs/dbraw/zinc/95/74/30/209957430.db2.gz XXTZNZMXJCXEPM-UHFFFAOYSA-N 1 0 387.484 2.326 50 0 GEAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2cc(C(=O)NCCCO)nn2)CC1 ZINC000012148773 209912898 /nfs/dbraw/zinc/91/28/98/209912898.db2.gz XBSDHVVNRNBIJH-QGZVFWFLSA-N 1 0 377.533 2.410 50 0 GEAARO COCC[N@@H+]1CCC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)C1 ZINC000011874181 209889863 /nfs/dbraw/zinc/88/98/63/209889863.db2.gz WJAOWDBGIBFIPS-ZDUSSCGKSA-N 1 0 375.477 2.138 50 0 GEAARO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 ZINC000009135206 531550142 /nfs/dbraw/zinc/55/01/42/531550142.db2.gz SSIPDODIPCHXKG-UHFFFAOYSA-N 1 0 377.286 2.183 50 0 GEAARO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1)Nc1ccccc1 ZINC000009264771 209820620 /nfs/dbraw/zinc/82/06/20/209820620.db2.gz SETXZGBYDVPWLF-AWEZNQCLSA-N 1 0 384.827 2.159 50 0 GEAARO CC(C)[NH+](CCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)C(C)C ZINC000032244300 531649579 /nfs/dbraw/zinc/64/95/79/531649579.db2.gz DMDDLXRSDSFPHG-UHFFFAOYSA-N 1 0 389.949 2.341 50 0 GEAARO COc1cc(Br)cc(CNCCC[NH2+]CCO)c1OC(C)C ZINC000040720717 531662170 /nfs/dbraw/zinc/66/21/70/531662170.db2.gz KBHYWEZSBVFIJJ-UHFFFAOYSA-N 1 0 375.307 2.307 50 0 GEAARO Cc1nn(C)c(C)c1S(=O)(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000096025845 531933612 /nfs/dbraw/zinc/93/36/12/531933612.db2.gz HWCUTKSXQNFCDY-UHFFFAOYSA-N 1 0 382.555 2.289 50 0 GEAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000179010006 532220473 /nfs/dbraw/zinc/22/04/73/532220473.db2.gz FUPXGFLBCIXPSZ-IBUXWKBASA-N 1 0 381.270 2.301 50 0 GEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000237279209 532505814 /nfs/dbraw/zinc/50/58/14/532505814.db2.gz LGILXPXWKIDEOA-LLVKDONJSA-N 1 0 377.304 2.139 50 0 GEAARO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000237231992 532506184 /nfs/dbraw/zinc/50/61/84/532506184.db2.gz KBKCIEIFBBGKFM-CVEARBPZSA-N 1 0 382.302 2.227 50 0 GEAARO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000237330806 532507396 /nfs/dbraw/zinc/50/73/96/532507396.db2.gz VUZKFKINAVADNV-MFKMUULPSA-N 1 0 377.304 2.348 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000652384770 532511220 /nfs/dbraw/zinc/51/12/20/532511220.db2.gz MWCMCSMJQFJYPI-SRCQZFHVSA-N 1 0 388.917 2.398 50 0 GEAARO CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cn(CC[NH3+])nn1 ZINC000566572969 532617957 /nfs/dbraw/zinc/61/79/57/532617957.db2.gz NZAXMRJNSWRLDU-UHFFFAOYSA-N 1 0 384.253 2.189 50 0 GEAARO O=C(NCc1ccc(F)cc1Br)c1cn(C2CC[NH2+]CC2)nn1 ZINC000269249895 532777815 /nfs/dbraw/zinc/77/78/15/532777815.db2.gz MEGFPSXYPKCWQH-UHFFFAOYSA-N 1 0 382.237 2.034 50 0 GEAARO CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCC[NH+](C)C)c1C ZINC000002929800 209398141 /nfs/dbraw/zinc/39/81/41/209398141.db2.gz SUPJGOWNFKYIIA-UHFFFAOYSA-N 1 0 375.444 2.457 50 0 GEAARO Cc1ccc(C(=O)NC[C@@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)cc1C ZINC000299793782 212038808 /nfs/dbraw/zinc/03/88/08/212038808.db2.gz HIHMBHDNHVPRBS-OAQYLSRUSA-N 1 0 399.535 2.278 50 0 GEAARO Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299790027 212039237 /nfs/dbraw/zinc/03/92/37/212039237.db2.gz KCMUKGKZLBLVGV-KSZLIROESA-N 1 0 381.480 2.244 50 0 GEAARO OCCN1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299775798 212034889 /nfs/dbraw/zinc/03/48/89/212034889.db2.gz JVSWZSHDEYBGOP-UHFFFAOYSA-N 1 0 383.492 2.312 50 0 GEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccn2)CC1 ZINC000299787415 212036600 /nfs/dbraw/zinc/03/66/00/212036600.db2.gz WVBVDLZLCSSBBI-NRFANRHFSA-N 1 0 399.466 2.492 50 0 GEAARO CCNc1nc(C)c(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)s1 ZINC000299758214 212031634 /nfs/dbraw/zinc/03/16/34/212031634.db2.gz PNXAUFVDTALGTF-UHFFFAOYSA-N 1 0 376.530 2.481 50 0 GEAARO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1cccc(C)c1)CC2 ZINC000299755882 212030631 /nfs/dbraw/zinc/03/06/31/212030631.db2.gz DVCOVDINPMLQAI-UHFFFAOYSA-N 1 0 395.503 2.460 50 0 GEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC000022926469 211783016 /nfs/dbraw/zinc/78/30/16/211783016.db2.gz JONBXMMTFOFHFA-FPOVZHCZSA-N 1 0 386.492 2.496 50 0 GEAARO CNC(=O)c1cccc(NC(=O)N2CC[NH+](C3CCSCC3)CC2)c1C ZINC000097819724 211372756 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CN(C)C1(C[NH2+]C2CCN(c3ncnc4ccsc43)CC2)CCOCC1 ZINC000096140228 536112910 /nfs/dbraw/zinc/11/29/10/536112910.db2.gz NUTSXVHTEZBASG-UHFFFAOYSA-N 1 0 375.542 2.361 50 0 GEAARO COc1nccc(N2CCC(CC(=O)NCCC[NH+]3CCC(C)CC3)CC2)n1 ZINC000065282039 537145046 /nfs/dbraw/zinc/14/50/46/537145046.db2.gz GZMRHRSAWOLEBX-UHFFFAOYSA-N 1 0 389.544 2.330 50 0 GEAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1 ZINC000004295169 570217211 /nfs/dbraw/zinc/21/72/11/570217211.db2.gz MKWLRSLXLQYTGJ-OAHLLOKOSA-N 1 0 385.445 2.090 50 0 GEAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2n[nH]nc2c1 ZINC000048368373 570248120 /nfs/dbraw/zinc/24/81/20/570248120.db2.gz GMOGIWUNBXUVNV-UHFFFAOYSA-N 1 0 378.480 2.290 50 0 GEAARO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000048783735 570254361 /nfs/dbraw/zinc/25/43/61/570254361.db2.gz WKJPSCYAMVVVOB-QWRGUYRKSA-N 1 0 397.360 2.039 50 0 GEAARO COC(=O)c1ccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104425285 570258490 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COc1cc(Br)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Cl ZINC000237198458 570332550 /nfs/dbraw/zinc/33/25/50/570332550.db2.gz QZWIKUMOTMPCIO-UHFFFAOYSA-N 1 0 397.722 2.484 50 0 GEAARO [NH3+][C@H]1CCN(CC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000050242691 570332965 /nfs/dbraw/zinc/33/29/65/570332965.db2.gz IUUCLJVUIODLMO-VIFPVBQESA-N 1 0 377.080 2.183 50 0 GEAARO CN(C)S(=O)(=O)c1ccc(-c2ccc(C[NH2+]CCN3CCCC3)o2)cc1 ZINC000022932139 570337235 /nfs/dbraw/zinc/33/72/35/570337235.db2.gz FRBHRSSZXXZRIZ-UHFFFAOYSA-N 1 0 377.510 2.382 50 0 GEAARO Cc1c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237242601 570340817 /nfs/dbraw/zinc/34/08/17/570340817.db2.gz LOPXWZGUCPGSRA-LJQANCHMSA-N 1 0 396.539 2.105 50 0 GEAARO NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024923374 570348919 /nfs/dbraw/zinc/34/89/19/570348919.db2.gz DDVFVLHOUPIUAH-UHFFFAOYSA-N 1 0 388.493 2.252 50 0 GEAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cnc4ncnn4c3)cc1)C2 ZINC000584903962 570350658 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CCc1ccc([C@@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)[NH+](C)C)cc1 ZINC000025382933 570412453 /nfs/dbraw/zinc/41/24/53/570412453.db2.gz BHUKYLMQDURVMD-OAQYLSRUSA-N 1 0 392.503 2.458 50 0 GEAARO CCc1ccc([C@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)[NH+](C)C)cc1 ZINC000025382937 570412506 /nfs/dbraw/zinc/41/25/06/570412506.db2.gz BHUKYLMQDURVMD-NRFANRHFSA-N 1 0 392.503 2.458 50 0 GEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2c3ccccc3SC[C@H]2C)C1 ZINC000239722547 570430456 /nfs/dbraw/zinc/43/04/56/570430456.db2.gz CDFGNJJKLQNPRN-SJORKVTESA-N 1 0 377.554 2.460 50 0 GEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@@H](Cn3ccnc3)c3ccccc3)nn2)CC1 ZINC000244763857 570433446 /nfs/dbraw/zinc/43/34/46/570433446.db2.gz OWPPZJKABVJJPZ-KSZLIROESA-N 1 0 379.468 2.088 50 0 GEAARO CN(Cc1cc2n(n1)CCN(C[C@H]1CCC[NH2+]C1)C2)Cc1nc2ccccc2[nH]1 ZINC000244626530 570436185 /nfs/dbraw/zinc/43/61/85/570436185.db2.gz FNKVNPUCXUFLMO-KRWDZBQOSA-N 1 0 393.539 2.207 50 0 GEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2cccc(Cl)c2n1 ZINC000223908732 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GEAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000010279303 570567634 /nfs/dbraw/zinc/56/76/34/570567634.db2.gz HJVLFQPIEBAKGL-UHFFFAOYSA-N 1 0 393.553 2.385 50 0 GEAARO CC(=O)NC1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)CC1 ZINC000225514104 570582391 /nfs/dbraw/zinc/58/23/91/570582391.db2.gz PLVAQMXKZZLHIY-GOSISDBHSA-N 1 0 390.528 2.366 50 0 GEAARO COCC[NH+]1CCC(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)CC1 ZINC000012003112 570598342 /nfs/dbraw/zinc/59/83/42/570598342.db2.gz VGRHYCPCGLBQCJ-UHFFFAOYSA-N 1 0 385.512 2.065 50 0 GEAARO CC[C@H](O)CN1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(OC)cc2)C1 ZINC000169679321 570600686 /nfs/dbraw/zinc/60/06/86/570600686.db2.gz LCKMYWRDBIVLSV-AZUAARDMSA-N 1 0 378.513 2.265 50 0 GEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1 ZINC000012055878 570602639 /nfs/dbraw/zinc/60/26/39/570602639.db2.gz FUYYUVHKBWXSBP-LJQANCHMSA-N 1 0 382.508 2.373 50 0 GEAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+](CCO)CCO)c(F)c1 ZINC000012090983 570607050 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2.001 50 0 GEAARO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)cc1 ZINC000058215987 570720981 /nfs/dbraw/zinc/72/09/81/570720981.db2.gz KEZZOSRUMNCLNC-UHFFFAOYSA-N 1 0 375.513 2.396 50 0 GEAARO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000058277534 570724184 /nfs/dbraw/zinc/72/41/84/570724184.db2.gz ZAHRTRLZRNDHQN-GJZGRUSLSA-N 1 0 381.904 2.119 50 0 GEAARO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058305299 570725536 /nfs/dbraw/zinc/72/55/36/570725536.db2.gz QPEMEPUKRSQTKY-GOSISDBHSA-N 1 0 392.525 2.319 50 0 GEAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(N2CCOC2=O)c1 ZINC000058404263 570731382 /nfs/dbraw/zinc/73/13/82/570731382.db2.gz CILBHBVJZAPREN-YJBOKZPZSA-N 1 0 388.468 2.266 50 0 GEAARO C[NH+]1CCC(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000065362054 570759731 /nfs/dbraw/zinc/75/97/31/570759731.db2.gz MASYAZJHBCHBGT-UHFFFAOYSA-N 1 0 393.553 2.323 50 0 GEAARO CCc1nnc(-c2nnc(NCCC[NH+]3CCN(C)CC3)c3ccccc32)o1 ZINC000065258201 570759843 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0 GEAARO O=C1C[C@H]([C@@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000101130471 570815845 /nfs/dbraw/zinc/81/58/45/570815845.db2.gz UBRZZVLLFUBIET-DLBZAZTESA-N 1 0 398.459 2.307 50 0 GEAARO CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000032810299 570833756 /nfs/dbraw/zinc/83/37/56/570833756.db2.gz GDVQVMNAGCSJDS-GOSISDBHSA-N 1 0 377.554 2.399 50 0 GEAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000007390330 570836567 /nfs/dbraw/zinc/83/65/67/570836567.db2.gz DJDDKTUFLLQGOW-AWEZNQCLSA-N 1 0 385.464 2.304 50 0 GEAARO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000170597844 570856093 /nfs/dbraw/zinc/85/60/93/570856093.db2.gz VDDFYRUAOSYGIE-USTZCAOPSA-N 1 0 379.545 2.124 50 0 GEAARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)Cn3ncc4ccccc4c3=O)C1)CCCC2 ZINC000170602033 570860272 /nfs/dbraw/zinc/86/02/72/570860272.db2.gz RHMTXZIYDYTRNF-KRWDZBQOSA-N 1 0 391.475 2.254 50 0 GEAARO CNC(=O)c1cccc(NC(=O)NC[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)c1C ZINC000044174321 570868450 /nfs/dbraw/zinc/86/84/50/570868450.db2.gz JAPJGUKZQDTNFP-PXNSSMCTSA-N 1 0 398.507 2.388 50 0 GEAARO Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000097097245 570892446 /nfs/dbraw/zinc/89/24/46/570892446.db2.gz QSBDIDBCJWWOBW-UHFFFAOYSA-N 1 0 390.553 2.005 50 0 GEAARO Cc1nc(-n2cnnc2)ccc1-c1cccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000534592105 570906422 /nfs/dbraw/zinc/90/64/22/570906422.db2.gz ITRZHCCDUWHIAX-FQEVSTJZSA-N 1 0 388.475 2.462 50 0 GEAARO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)OCCO2 ZINC000023127674 570912781 /nfs/dbraw/zinc/91/27/81/570912781.db2.gz BBTDMTWWRJNMOH-UHFFFAOYSA-N 1 0 392.477 2.241 50 0 GEAARO NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000076069762 570919580 /nfs/dbraw/zinc/91/95/80/570919580.db2.gz FBKAHYAKHWFSRO-IAGOWNOFSA-N 1 0 376.526 2.053 50 0 GEAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(N2CCOCC2)CC1)c1ccco1 ZINC000534664246 570922724 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CCn1c(CCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)nc2ccccc21 ZINC000426525811 231235762 /nfs/dbraw/zinc/23/57/62/231235762.db2.gz FDAYTADPDAXJFJ-MRXNPFEDSA-N 1 0 380.496 2.079 50 0 GEAARO Cc1cc(=O)[nH]c(CCNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000426716867 231255851 /nfs/dbraw/zinc/25/58/51/231255851.db2.gz KOOWSKXRFMJSSK-UHFFFAOYSA-N 1 0 383.496 2.471 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000019301093 210240013 /nfs/dbraw/zinc/24/00/13/210240013.db2.gz DJRKJAFWOLQQSS-GOSISDBHSA-N 1 0 375.488 2.159 50 0 GEAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000017305754 210208118 /nfs/dbraw/zinc/20/81/18/210208118.db2.gz MDOYBAYRHKJTRI-OAHLLOKOSA-N 1 0 393.447 2.305 50 0 GEAARO CNc1nc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)cc2)ncc1F ZINC000426490398 529835913 /nfs/dbraw/zinc/83/59/13/529835913.db2.gz DQTJEOFCALVPNH-AWEZNQCLSA-N 1 0 383.471 2.445 50 0 GEAARO CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+]1CCCC1 ZINC000015883698 210177096 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CCOC(=O)CNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000014968417 210136494 /nfs/dbraw/zinc/13/64/94/210136494.db2.gz NWIOFWBMCWDLJS-GOSISDBHSA-N 1 0 391.512 2.154 50 0 GEAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cnn(C)c3C)CC2)c1 ZINC000014968162 210135801 /nfs/dbraw/zinc/13/58/01/210135801.db2.gz DLZGLTMDKVJZOQ-UHFFFAOYSA-N 1 0 386.496 2.148 50 0 GEAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014745980 210126179 /nfs/dbraw/zinc/12/61/79/210126179.db2.gz SFTDSIPIFRWWCY-UHFFFAOYSA-N 1 0 389.496 2.293 50 0 GEAARO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1)N1CCCC1 ZINC000014731621 210125340 /nfs/dbraw/zinc/12/53/40/210125340.db2.gz IIEZHSZTBSPMNM-FGZHOGPDSA-N 1 0 385.552 2.122 50 0 GEAARO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)NCc4ccncc4)nn3C)C2)o1 ZINC000014742253 210124298 /nfs/dbraw/zinc/12/42/98/210124298.db2.gz VBWYWLDHHCCZRK-INIZCTEOSA-N 1 0 379.464 2.294 50 0 GEAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014742314 210124394 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387.524 2.174 50 0 GEAARO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1Br ZINC000006603025 531529451 /nfs/dbraw/zinc/52/94/51/531529451.db2.gz BIZAENMVFKXTFY-UHFFFAOYSA-N 1 0 377.304 2.172 50 0 GEAARO C[NH+]1CCN([C@H](CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1 ZINC000020953596 531583773 /nfs/dbraw/zinc/58/37/73/531583773.db2.gz ZJOSUWPIGCRCHZ-GOSISDBHSA-N 1 0 379.551 2.156 50 0 GEAARO CCn1c(CC[NH3+])nnc1Sc1ccccc1S(=O)(=O)C(F)(F)F ZINC000072312237 531918820 /nfs/dbraw/zinc/91/88/20/531918820.db2.gz DVIVDCHHLUDVPM-UHFFFAOYSA-N 1 0 380.417 2.244 50 0 GEAARO Cn1nc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2c1=O ZINC000008012522 209757200 /nfs/dbraw/zinc/75/72/00/209757200.db2.gz SGHRGMGYIXKPBX-UHFFFAOYSA-N 1 0 390.487 2.388 50 0 GEAARO Cn1c(=O)cc(OCC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000005066580 209566152 /nfs/dbraw/zinc/56/61/52/209566152.db2.gz WHBLFFUIWSGRBS-UHFFFAOYSA-N 1 0 383.492 2.394 50 0 GEAARO COC(C[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2)OC ZINC000003847460 209454267 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212039546 /nfs/dbraw/zinc/03/95/46/212039546.db2.gz VFYLGLJHJAPKIQ-YADHBBJMSA-N 1 0 381.520 2.490 50 0 GEAARO COCCCNc1ncnc2sc(C(=O)NCC[NH+]3CCCC3)c(C)c21 ZINC000299782326 212037214 /nfs/dbraw/zinc/03/72/14/212037214.db2.gz GZTMIZCVUFUUBV-UHFFFAOYSA-N 1 0 377.514 2.274 50 0 GEAARO OCC[NH2+]CCCNCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000261492447 212029689 /nfs/dbraw/zinc/02/96/89/212029689.db2.gz XSSMSVJNQATBFO-UHFFFAOYSA-N 1 0 383.471 2.194 50 0 GEAARO Cn1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000106379930 209162262 /nfs/dbraw/zinc/16/22/62/209162262.db2.gz UTWOIJJMFPGUQE-LJQANCHMSA-N 1 0 398.507 2.201 50 0 GEAARO O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000102885401 211615870 /nfs/dbraw/zinc/61/58/70/211615870.db2.gz ODWGCOXFSKRGJK-WOJBJXKFSA-N 1 0 395.503 2.240 50 0 GEAARO Cc1c(C(=O)N(C)CCOc2ccc(Cl)cc2)nnn1C1CC[NH2+]CC1 ZINC000237184920 211461515 /nfs/dbraw/zinc/46/15/15/211461515.db2.gz GKCZBENVVIPIPP-UHFFFAOYSA-N 1 0 377.876 2.315 50 0 GEAARO 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LVATVEPJBVCLEP-MRXNPFEDSA-N 1 0 394.537 2.257 50 0 GEAARO CC[NH+]1CCN(CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)CC1 ZINC000035504919 570378947 /nfs/dbraw/zinc/37/89/47/570378947.db2.gz HEPUGHBDMKXODF-UHFFFAOYSA-N 1 0 387.553 2.005 50 0 GEAARO COc1ccc([C@@H](CNC(=O)c2nc3ccccc3c(=O)[nH]2)[NH+]2CCCC2)cc1 ZINC000024761679 570392376 /nfs/dbraw/zinc/39/23/76/570392376.db2.gz SUIQLVYMFPYBNL-LJQANCHMSA-N 1 0 392.459 2.499 50 0 GEAARO Cc1c(C(=O)NCCCOC(C)C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048236 570400669 /nfs/dbraw/zinc/40/06/69/570400669.db2.gz LZNUMVAVLMGTQT-UHFFFAOYSA-N 1 0 391.541 2.296 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 ZINC000005030497 570401127 /nfs/dbraw/zinc/40/11/27/570401127.db2.gz QMDKRUWCGUBLFH-UHFFFAOYSA-N 1 0 384.505 2.330 50 0 GEAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695258 570418315 /nfs/dbraw/zinc/41/83/15/570418315.db2.gz DOHJXNLIPUQWJL-KDOFPFPSSA-N 1 0 391.489 2.383 50 0 GEAARO CS(=O)(=O)c1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)n1CC1CCCCC1 ZINC000247549117 570440428 /nfs/dbraw/zinc/44/04/28/570440428.db2.gz VGGMUVYJSGTSJZ-KRWDZBQOSA-N 1 0 380.558 2.147 50 0 GEAARO C[N@@H+]1CCN(CCCNS(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000026873791 570449927 /nfs/dbraw/zinc/44/99/27/570449927.db2.gz HCUYCGJBBGVPNG-HXUWFJFHSA-N 1 0 391.512 2.483 50 0 GEAARO CCN(Cc1noc(C2CC2)n1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000584885614 570471440 /nfs/dbraw/zinc/47/14/40/570471440.db2.gz AVIASVCCBORPJC-UHFFFAOYSA-N 1 0 377.489 2.122 50 0 GEAARO O=C(CNC(=O)c1ccc(F)cc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029841524 570481509 /nfs/dbraw/zinc/48/15/09/570481509.db2.gz ZDUJKKADLZJBNQ-UHFFFAOYSA-N 1 0 387.430 2.259 50 0 GEAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006604557 570495594 /nfs/dbraw/zinc/49/55/94/570495594.db2.gz KMLOKWKEATVKFK-QGZVFWFLSA-N 1 0 380.448 2.402 50 0 GEAARO C[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000031224302 570503402 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C[C@H](C(=O)NCC[C@H](C)[NH+]1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839671 570560683 /nfs/dbraw/zinc/56/06/83/570560683.db2.gz ZSZFKHGAVVIKSZ-JKSUJKDBSA-N 1 0 395.507 2.440 50 0 GEAARO COC[C@@H](C)NC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000011668095 570579505 /nfs/dbraw/zinc/57/95/05/570579505.db2.gz KZPUOVFBEGBYQM-GOSISDBHSA-N 1 0 388.556 2.218 50 0 GEAARO CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000011718552 570580936 /nfs/dbraw/zinc/58/09/36/570580936.db2.gz SQRYJKSRAMAXON-QGZVFWFLSA-N 1 0 375.561 2.390 50 0 GEAARO CCn1c2ccccc2nc1CN1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039380787 570590153 /nfs/dbraw/zinc/59/01/53/570590153.db2.gz NYKGSNWNBZVKMQ-LJQANCHMSA-N 1 0 385.556 2.019 50 0 GEAARO C[C@H]([NH2+]C1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1COc2ccccc21 ZINC000225634899 570596510 /nfs/dbraw/zinc/59/65/10/570596510.db2.gz HATJJSUANCIJMW-KBXCAEBGSA-N 1 0 378.480 2.486 50 0 GEAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccsc1)CC2)c1cccc(F)c1 ZINC000012023684 570598839 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O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000426421723 231219254 /nfs/dbraw/zinc/21/92/54/231219254.db2.gz DKCPPTXMRAFPNH-UHFFFAOYSA-N 1 0 377.554 2.283 50 0 GEAARO Cc1ccc(OCCNC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1C ZINC000426431948 231220648 /nfs/dbraw/zinc/22/06/48/231220648.db2.gz NZVHILRLTRWRRO-OAQYLSRUSA-N 1 0 386.540 2.104 50 0 GEAARO Cc1ccc(OCC(N)=O)c(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)c1 ZINC000426387269 231212045 /nfs/dbraw/zinc/21/20/45/231212045.db2.gz LIODZMNCJMYBSR-MRXNPFEDSA-N 1 0 381.476 2.208 50 0 GEAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)N1CCC2(CNC(=O)O2)CC1 ZINC000426597384 231245074 /nfs/dbraw/zinc/24/50/74/231245074.db2.gz JTDBMOGFYBIZIH-QGZVFWFLSA-N 1 0 390.459 2.247 50 0 GEAARO Cc1nccn1-c1ccccc1CNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426661145 231250685 /nfs/dbraw/zinc/25/06/85/231250685.db2.gz AJMZOCXECWHNRI-KRWDZBQOSA-N 1 0 378.480 2.161 50 0 GEAARO NC(=O)CNC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000426674243 231251856 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GEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2C)CC1 ZINC000016299893 210189359 /nfs/dbraw/zinc/18/93/59/210189359.db2.gz KTSKNMPRDMEFFY-UHFFFAOYSA-N 1 0 384.480 2.489 50 0 GEAARO Cc1nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc(N(C)C)[nH+]1 ZINC000015838305 210173323 /nfs/dbraw/zinc/17/33/23/210173323.db2.gz LTIYDKVOGJHJIZ-UHFFFAOYSA-N 1 0 394.273 2.169 50 0 GEAARO O=C(NCCC[NH+]1CCCC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000015774189 210169172 /nfs/dbraw/zinc/16/91/72/210169172.db2.gz LLAPOLQOHFKSMO-UHFFFAOYSA-N 1 0 375.494 2.446 50 0 GEAARO C[C@@H](C[NH+]1CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1)c1ccccc1 ZINC000014986583 210139970 /nfs/dbraw/zinc/13/99/70/210139970.db2.gz IXDLCWRZHCZLNF-KRWDZBQOSA-N 1 0 383.496 2.191 50 0 GEAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cn1cccn1 ZINC000014977404 210139451 /nfs/dbraw/zinc/13/94/51/210139451.db2.gz VSEMKNHWLXAABX-LJQANCHMSA-N 1 0 396.535 2.238 50 0 GEAARO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014974613 210138700 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GEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCOC(C)C)C2 ZINC000014742284 210124334 /nfs/dbraw/zinc/12/43/34/210124334.db2.gz AQOOEDSFDXCDQQ-INIZCTEOSA-N 1 0 394.585 2.354 50 0 GEAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014535096 210120228 /nfs/dbraw/zinc/12/02/28/210120228.db2.gz XLSFNZIYNZEJFJ-UHFFFAOYSA-N 1 0 375.469 2.046 50 0 GEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014540704 210118775 /nfs/dbraw/zinc/11/87/75/210118775.db2.gz LAICVVSZNYMEEY-MRXNPFEDSA-N 1 0 376.545 2.288 50 0 GEAARO O=S(=O)(c1cccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1)N1CCOCC1 ZINC000014248104 210113882 /nfs/dbraw/zinc/11/38/82/210113882.db2.gz MGAZFWWJLPSSPI-IAGOWNOFSA-N 1 0 395.550 2.211 50 0 GEAARO C[NH+](C)CCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000013670987 210078624 /nfs/dbraw/zinc/07/86/24/210078624.db2.gz NMFZLVRWXBQKHU-UHFFFAOYSA-N 1 0 393.484 2.083 50 0 GEAARO CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012927118 210031910 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CC(C)C[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000043008394 531676551 /nfs/dbraw/zinc/67/65/51/531676551.db2.gz MQFXIYCUJCYTBP-CQSZACIVSA-N 1 0 396.329 2.368 50 0 GEAARO Cn1c(=O)cc(C[N@H+](CCc2cccs2)Cc2cccs2)n(C)c1=O ZINC000048313827 531728084 /nfs/dbraw/zinc/72/80/84/531728084.db2.gz WWIJVOTUHNZFBR-UHFFFAOYSA-N 1 0 375.519 2.452 50 0 GEAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC000096099751 531934198 /nfs/dbraw/zinc/93/41/98/531934198.db2.gz INLGJHNNJCGWTC-ZDUSSCGKSA-N 1 0 376.881 2.089 50 0 GEAARO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238098100 532516717 /nfs/dbraw/zinc/51/67/17/532516717.db2.gz KDKFZAGYLMDJIE-WCQYABFASA-N 1 0 382.283 2.158 50 0 GEAARO Cc1cc(COc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2Br)on1 ZINC000299738959 532736963 /nfs/dbraw/zinc/73/69/63/532736963.db2.gz IYJDGRPPOJUOCE-GFCCVEGCSA-N 1 0 380.242 2.498 50 0 GEAARO C[NH+](C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000002931983 209397902 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2.223 50 0 GEAARO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000195531238 209182335 /nfs/dbraw/zinc/18/23/35/209182335.db2.gz IBRFLBSZPFHWTB-ZACQAIPSSA-N 1 0 387.480 2.098 50 0 GEAARO O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343601 212074807 /nfs/dbraw/zinc/07/48/07/212074807.db2.gz WHYQNAMBQUCBOJ-UYAOXDASSA-N 1 0 380.492 2.291 50 0 GEAARO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299796377 212038476 /nfs/dbraw/zinc/03/84/76/212038476.db2.gz MKLDTJJHLDJCMJ-WOJBJXKFSA-N 1 0 378.480 2.326 50 0 GEAARO CCNC(=O)c1cccc(NC(=O)N2CCC([NH+]3CCSCC3)CC2)c1 ZINC000299777806 212035227 /nfs/dbraw/zinc/03/52/27/212035227.db2.gz FEGVMJDBOUVFJI-UHFFFAOYSA-N 1 0 376.526 2.481 50 0 GEAARO Cc1nn(C)c(Cl)c1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108421032 209163969 /nfs/dbraw/zinc/16/39/69/209163969.db2.gz DUAFGBVLGSGNJS-QGZVFWFLSA-N 1 0 389.931 2.369 50 0 GEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccccc1OC(F)(F)C(F)F ZINC000223928548 211848108 /nfs/dbraw/zinc/84/81/08/211848108.db2.gz QSBYNKCRDWWJTQ-YXCITZCRSA-N 1 0 376.350 2.371 50 0 GEAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795101 211779311 /nfs/dbraw/zinc/77/93/11/211779311.db2.gz VAJWCZOEATXPMX-FQEVSTJZSA-N 1 0 391.512 2.401 50 0 GEAARO O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015614154 211709922 /nfs/dbraw/zinc/70/99/22/211709922.db2.gz ODWGCOXFSKRGJK-PMACEKPBSA-N 1 0 395.503 2.240 50 0 GEAARO CC[NH+]1CCN(CCNc2ncncc2-c2nc(-c3ccccc3)no2)CC1 ZINC000169775600 211647639 /nfs/dbraw/zinc/64/76/39/211647639.db2.gz SGWZBJALMVOYQU-UHFFFAOYSA-N 1 0 379.468 2.243 50 0 GEAARO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)cc1Br ZINC000236862376 211403030 /nfs/dbraw/zinc/40/30/30/211403030.db2.gz UPIOFFMPVMNUAP-GFCCVEGCSA-N 1 0 391.331 2.468 50 0 GEAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(OC)CC3)C2=O)cc1 ZINC000100199617 211383535 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O=C(CCn1cncn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012572229 209975815 /nfs/dbraw/zinc/97/58/15/209975815.db2.gz AUJDDQBYLGTXLC-FQEVSTJZSA-N 1 0 389.544 2.330 50 0 GEAARO CCCC[NH+](CCCC)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000004688017 531515387 /nfs/dbraw/zinc/51/53/87/531515387.db2.gz TWDFGEIQBJOMIO-UHFFFAOYSA-N 1 0 375.579 2.067 50 0 GEAARO C[C@@H]1C[NH+](C[C@@H](O)COCCOc2ccccc2Br)C[C@@H](C)O1 ZINC000023109568 531595107 /nfs/dbraw/zinc/59/51/07/531595107.db2.gz SPDURGWUGSBZKH-RBSFLKMASA-N 1 0 388.302 2.315 50 0 GEAARO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000153379399 531596416 /nfs/dbraw/zinc/59/64/16/531596416.db2.gz KFEUGBLAASDMBO-QWRGUYRKSA-N 1 0 378.274 2.161 50 0 GEAARO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000036297191 531658793 /nfs/dbraw/zinc/65/87/93/531658793.db2.gz MDQPAICINMYEQZ-VIFPVBQESA-N 1 0 383.695 2.223 50 0 GEAARO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296819 531660086 /nfs/dbraw/zinc/66/00/86/531660086.db2.gz WWXPZHGSZLEARH-UHFFFAOYSA-N 1 0 397.722 2.471 50 0 GEAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]C)c1 ZINC000006047805 209627819 /nfs/dbraw/zinc/62/78/19/209627819.db2.gz MCRUTHSSHNFZLJ-UHFFFAOYSA-N 1 0 377.466 2.068 50 0 GEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)CSc2nnc(N)s2)C1 ZINC000244884398 532520030 /nfs/dbraw/zinc/52/00/30/532520030.db2.gz YLPXRMDPNMJMEJ-ZDUSSCGKSA-N 1 0 377.539 2.127 50 0 GEAARO Cc1ccc(-c2ccc(=O)n(CC(=O)NCCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000002965226 209401341 /nfs/dbraw/zinc/40/13/41/209401341.db2.gz ADYPDIWCOZFJIU-UHFFFAOYSA-N 1 0 382.508 2.457 50 0 GEAARO CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+]1CCCCC1 ZINC000010216778 209322130 /nfs/dbraw/zinc/32/21/30/209322130.db2.gz SFSOAIWCEUCXHZ-UHFFFAOYSA-N 1 0 376.526 2.163 50 0 GEAARO O=c1cc(CN2CC[NH+](CCO)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000020412526 209235271 /nfs/dbraw/zinc/23/52/71/209235271.db2.gz QGLAHJBFKKVYDM-UHFFFAOYSA-N 1 0 380.444 2.276 50 0 GEAARO COC(=O)c1cn(C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587227 209224278 /nfs/dbraw/zinc/22/42/78/209224278.db2.gz DRIDXHNVUDLGEY-SFHVURJKSA-N 1 0 396.447 2.309 50 0 GEAARO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229793250 209191074 /nfs/dbraw/zinc/19/10/74/209191074.db2.gz ZAHRTRLZRNDHQN-HUUCEWRRSA-N 1 0 381.904 2.119 50 0 GEAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000132252420 212058327 /nfs/dbraw/zinc/05/83/27/212058327.db2.gz RUZVZAGXLVUIOM-CXLRFSCWSA-N 1 0 379.233 2.347 50 0 GEAARO CCn1ccc2c1cccc2C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000299790542 212038193 /nfs/dbraw/zinc/03/81/93/212038193.db2.gz BRQULPRDZRIVPT-YLJYHZDGSA-N 1 0 382.464 2.323 50 0 GEAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1 ZINC000299776998 212035858 /nfs/dbraw/zinc/03/58/58/212035858.db2.gz HKZSWIQNYMQMEF-NRFANRHFSA-N 1 0 399.535 2.074 50 0 GEAARO CSCCC[NH+]1CCC2(CCN(C(=O)c3ccncc3)C[C@H]2CO)CC1 ZINC000097675357 211372362 /nfs/dbraw/zinc/37/23/62/211372362.db2.gz WYAIDUIWLNLDAY-SFHVURJKSA-N 1 0 377.554 2.371 50 0 GEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCCC3)c2)C1 ZINC000097675548 211371575 /nfs/dbraw/zinc/37/15/75/211371575.db2.gz BRCZLSZJVYHPCZ-INIZCTEOSA-N 1 0 379.526 2.062 50 0 GEAARO CCc1ccc(C(=O)N2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@@H](CO)C2)[nH]1 ZINC000097660485 211368540 /nfs/dbraw/zinc/36/85/40/211368540.db2.gz RYHHRMVZMHOVFW-MRXNPFEDSA-N 1 0 385.512 2.037 50 0 GEAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(c2nnc(CN(C)CCO)n2C)CC1 ZINC000096131331 211304543 /nfs/dbraw/zinc/30/45/43/211304543.db2.gz FNVREVYDBODECI-UHFFFAOYSA-N 1 0 396.539 2.409 50 0 GEAARO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000095995520 211292906 /nfs/dbraw/zinc/29/29/06/211292906.db2.gz LYEUVLODHPQWPC-PBHICJAKSA-N 1 0 397.541 2.330 50 0 GEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000096139683 211306653 /nfs/dbraw/zinc/30/66/53/211306653.db2.gz XETFHTJOUUYXBI-UHFFFAOYSA-N 1 0 396.491 2.467 50 0 GEAARO Cc1nc(C)c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)s1 ZINC000096136850 211306450 /nfs/dbraw/zinc/30/64/50/211306450.db2.gz XUEJVFUPKGXCJM-IPFXWSOASA-N 1 0 382.533 2.057 50 0 GEAARO Cn1nnnc1SCCNC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000096140081 211305775 /nfs/dbraw/zinc/30/57/75/211305775.db2.gz BVXUPIBTOIZKBZ-UHFFFAOYSA-N 1 0 375.502 2.110 50 0 GEAARO COc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nc1Br ZINC000096005990 211292119 /nfs/dbraw/zinc/29/21/19/211292119.db2.gz RMFDOKHAONUJLN-UHFFFAOYSA-N 1 0 398.301 2.037 50 0 GEAARO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000095976445 211290523 /nfs/dbraw/zinc/29/05/23/211290523.db2.gz PYOCIHHXDXBLOU-ZDUSSCGKSA-N 1 0 385.302 2.132 50 0 GEAARO C[N@H+](C[C@H](O)COc1cccc(CN2CCNC(=O)CC2)c1)C1CCCCC1 ZINC000095519110 211264287 /nfs/dbraw/zinc/26/42/87/211264287.db2.gz NOFPLPMPYOSRIW-FQEVSTJZSA-N 1 0 389.540 2.013 50 0 GEAARO COCCCNC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1 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GEAARO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000237230903 522086232 /nfs/dbraw/zinc/08/62/32/522086232.db2.gz KBKCIEIFBBGKFM-HZPDHXFCSA-N 1 0 382.302 2.227 50 0 GEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000176868838 528021603 /nfs/dbraw/zinc/02/16/03/528021603.db2.gz LYHCVGJPRBILMI-HNNXBMFYSA-N 1 0 380.920 2.347 50 0 GEAARO CCC(=O)NCc1cc2n(n1)CCN(C(=O)CCC[NH+]1Cc3ccccc3C1)C2 ZINC000426510307 528393627 /nfs/dbraw/zinc/39/36/27/528393627.db2.gz OLJVHRBDAWGJEW-UHFFFAOYSA-N 1 0 395.507 2.048 50 0 GEAARO CCn1ccc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)n1 ZINC000426689382 529176223 /nfs/dbraw/zinc/17/62/23/529176223.db2.gz ZTHPHBOQPOVYOC-MRXNPFEDSA-N 1 0 376.530 2.433 50 0 GEAARO COc1ccc(N2CCC[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)nn1 ZINC000096232342 536674323 /nfs/dbraw/zinc/67/43/23/536674323.db2.gz VDUYKJJBDCIHTG-AWEZNQCLSA-N 1 0 375.517 2.127 50 0 GEAARO COCCN1CC[NH+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063857602 536872371 /nfs/dbraw/zinc/87/23/71/536872371.db2.gz VDYPJXPGVLYQFF-UHFFFAOYSA-N 1 0 386.540 2.046 50 0 GEAARO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000048273803 570226263 /nfs/dbraw/zinc/22/62/63/570226263.db2.gz AVSJMVZTVWUJSQ-GJZGRUSLSA-N 1 0 384.521 2.188 50 0 GEAARO Cc1ccccc1N(CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)S(C)(=O)=O ZINC000048323986 570235564 /nfs/dbraw/zinc/23/55/64/570235564.db2.gz XSYLBXOPHOVWDZ-SFHVURJKSA-N 1 0 389.521 2.180 50 0 GEAARO CC(C)(C)CC[NH+]1CCN(Cc2nc(CC(=O)NCc3ccccc3)no2)CC1 ZINC000048366521 570246408 /nfs/dbraw/zinc/24/64/08/570246408.db2.gz OSIZKNWXWJOMTB-UHFFFAOYSA-N 1 0 399.539 2.482 50 0 GEAARO COc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104346683 570257443 /nfs/dbraw/zinc/25/74/43/570257443.db2.gz SJJMMJDLXGHYCY-OAQYLSRUSA-N 1 0 375.557 2.437 50 0 GEAARO Cc1nc2c(c(=O)n1CC(=O)NCCC(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000049400773 570263925 /nfs/dbraw/zinc/26/39/25/570263925.db2.gz YTETWMAPLOJTJB-UHFFFAOYSA-N 1 0 382.508 2.272 50 0 GEAARO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)o1 ZINC000049543482 570268395 /nfs/dbraw/zinc/26/83/95/570268395.db2.gz GWMBEQCIIROULY-WMZOPIPTSA-N 1 0 397.479 2.364 50 0 GEAARO CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(F)c3)co2)CC1 ZINC000034677462 570293983 /nfs/dbraw/zinc/29/39/83/570293983.db2.gz FKWLSZBNGGNIRG-INIZCTEOSA-N 1 0 390.459 2.263 50 0 GEAARO Cc1cc(C)n(-c2ccccc2CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000108015493 570311735 /nfs/dbraw/zinc/31/17/35/570311735.db2.gz JQKVSQDEQJMQMA-JOCHJYFZSA-N 1 0 381.524 2.275 50 0 GEAARO Cc1csc2nc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)cc(=O)n12 ZINC000022787081 570327506 /nfs/dbraw/zinc/32/75/06/570327506.db2.gz FTQFFQLMQOSXHX-SFHVURJKSA-N 1 0 384.505 2.228 50 0 GEAARO COCCNC(=O)CN1CC[NH+](Cc2c(C)cc(C(C)(C)C)cc2C)CC1 ZINC000022847587 570330858 /nfs/dbraw/zinc/33/08/58/570330858.db2.gz YSCWAKHSHCQCFN-UHFFFAOYSA-N 1 0 375.557 2.481 50 0 GEAARO Cn1ncc2c3ccccc3n(CCCC(=O)NCCC[NH+]3CCCC3)c2c1=O ZINC000035372381 570345401 /nfs/dbraw/zinc/34/54/01/570345401.db2.gz RNKFRRNYOLHUFK-UHFFFAOYSA-N 1 0 395.507 2.271 50 0 GEAARO Cc1ccccc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCC2 ZINC000004851670 570347129 /nfs/dbraw/zinc/34/71/29/570347129.db2.gz URABADNLRHSVFW-UHFFFAOYSA-N 1 0 386.521 2.333 50 0 GEAARO CCNC(=O)COc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000023187209 570348236 /nfs/dbraw/zinc/34/82/36/570348236.db2.gz DLKMUWJKRDHBNE-FQEVSTJZSA-N 1 0 399.491 2.243 50 0 GEAARO C[C@@H](O)CCN1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023338983 570355438 /nfs/dbraw/zinc/35/54/38/570355438.db2.gz IWTVFLQTHLHBNQ-LJQANCHMSA-N 1 0 387.568 2.293 50 0 GEAARO O=C(CN1CCOc2ccccc2C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219330998 570355544 /nfs/dbraw/zinc/35/55/44/570355544.db2.gz MJAUYZZRVBZAIA-UHFFFAOYSA-N 1 0 380.492 2.057 50 0 GEAARO c1cc(CN2CCN([C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)cc2c1OCO2 ZINC000023373707 570357925 /nfs/dbraw/zinc/35/79/25/570357925.db2.gz FZLYOXFDHBMSBO-HXUWFJFHSA-N 1 0 387.524 2.176 50 0 GEAARO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(c3cnn(C)c(=O)c3)CC1)CC2 ZINC000023380133 570359534 /nfs/dbraw/zinc/35/95/34/570359534.db2.gz XTHCFUIQYBQOCN-LJQANCHMSA-N 1 0 382.508 2.152 50 0 GEAARO O=C(Cn1c(=O)cnc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000024006323 570376987 /nfs/dbraw/zinc/37/69/87/570376987.db2.gz BGFBRLKGHUZFND-GOSISDBHSA-N 1 0 380.448 2.333 50 0 GEAARO Cc1c(C(=O)N2CCN(CC3CC3)c3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000237740206 570392703 /nfs/dbraw/zinc/39/27/03/570392703.db2.gz JOKIEOIALDQWPU-UHFFFAOYSA-N 1 0 380.496 2.388 50 0 GEAARO COc1ccc(C[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000025065849 570405452 /nfs/dbraw/zinc/40/54/52/570405452.db2.gz NSXYDMSQUMQSED-KRWDZBQOSA-N 1 0 380.444 2.317 50 0 GEAARO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000237843305 570405825 /nfs/dbraw/zinc/40/58/25/570405825.db2.gz UFXJZZFCOKMENN-QWHCGFSZSA-N 1 0 380.286 2.142 50 0 GEAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)n1nc(C)n2c3ccoc3cc2c1=O ZINC000005149749 570427987 /nfs/dbraw/zinc/42/79/87/570427987.db2.gz VVTXFFMXWKCHPH-HNNXBMFYSA-N 1 0 387.484 2.350 50 0 GEAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000247981690 570433016 /nfs/dbraw/zinc/43/30/16/570433016.db2.gz HBTPNCJUERRPHC-QAPCUYQASA-N 1 0 388.512 2.131 50 0 GEAARO COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027332583 570433043 /nfs/dbraw/zinc/43/30/43/570433043.db2.gz DHMFTOHKZXHXSM-QGZVFWFLSA-N 1 0 385.464 2.361 50 0 GEAARO Cc1ccc(N2CC[C@H](CNC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)C2)cc1 ZINC000244795096 570433358 /nfs/dbraw/zinc/43/33/58/570433358.db2.gz QZJHCXZYCHMUSI-LMMKCTJWSA-N 1 0 382.512 2.285 50 0 GEAARO COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005512978 570443432 /nfs/dbraw/zinc/44/34/32/570443432.db2.gz RRKTZKIUPZVBMF-ZWKFKZKKSA-N 1 0 394.471 2.110 50 0 in-vitro GEAARO Nc1nc(C2CC(O)C2)cc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000223118729 570444552 /nfs/dbraw/zinc/44/45/52/570444552.db2.gz XLKZBNOPKGKSNO-UHFFFAOYSA-N 1 0 381.524 2.442 50 0 GEAARO O=C(NCCn1ncc2ccccc2c1=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000223597625 570473660 /nfs/dbraw/zinc/47/36/60/570473660.db2.gz QKAOQEJATMRVMV-KRWDZBQOSA-N 1 0 380.448 2.018 50 0 GEAARO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000252477127 570474210 /nfs/dbraw/zinc/47/42/10/570474210.db2.gz IQZFHOKWCOEZKJ-JKSUJKDBSA-N 1 0 384.480 2.173 50 0 GEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cc2)CC1 ZINC000030669542 570493488 /nfs/dbraw/zinc/49/34/88/570493488.db2.gz ZSKBUSSRPYPLON-UHFFFAOYSA-N 1 0 395.507 2.312 50 0 GEAARO O[C@@H](COc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1cccs1 ZINC000036103278 570540292 /nfs/dbraw/zinc/54/02/92/570540292.db2.gz HIIFWGAPQPKAQT-GOSISDBHSA-N 1 0 376.522 2.322 50 0 GEAARO COc1ccc(OCC(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765656 570543647 /nfs/dbraw/zinc/54/36/47/570543647.db2.gz AUFPZUSBPMYPHB-LJQANCHMSA-N 1 0 389.521 2.240 50 0 GEAARO CC(C)N(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000035421546 570552454 /nfs/dbraw/zinc/55/24/54/570552454.db2.gz XHTTUUNODWWOMW-UHFFFAOYSA-N 1 0 382.302 2.122 50 0 GEAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4)n3)c(C)n2)CC1 ZINC000036235705 570561513 /nfs/dbraw/zinc/56/15/13/570561513.db2.gz GNEIVXSMYXBJIU-UHFFFAOYSA-N 1 0 391.479 2.421 50 0 GEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000005347824 570562482 /nfs/dbraw/zinc/56/24/82/570562482.db2.gz FWFOKESFNUMURE-NRULZZDXSA-N 1 0 387.455 2.391 50 0 GEAARO C[N@H+](CCCNC(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1)C1CCCC1 ZINC000011665129 570579065 /nfs/dbraw/zinc/57/90/65/570579065.db2.gz BQEQOWWKMLHJMQ-SFHVURJKSA-N 1 0 386.540 2.243 50 0 GEAARO CCN(CC)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011814688 570583817 /nfs/dbraw/zinc/58/38/17/570583817.db2.gz OMSMOXIJVRYASJ-FQEVSTJZSA-N 1 0 393.915 2.157 50 0 GEAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000011873752 570589390 /nfs/dbraw/zinc/58/93/90/570589390.db2.gz JSJPVVISGLZBOU-QGZVFWFLSA-N 1 0 376.460 2.360 50 0 GEAARO C[N@H+](Cc1ccccc1)C1(C(=O)NCCN2CCOC2=O)Cc2ccccc2C1 ZINC000039442862 570591494 /nfs/dbraw/zinc/59/14/94/570591494.db2.gz GGVPSKBYZXIXGD-UHFFFAOYSA-N 1 0 393.487 2.224 50 0 GEAARO C[C@H]([NH2+]C1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1COc2ccccc21 ZINC000225634843 570596420 /nfs/dbraw/zinc/59/64/20/570596420.db2.gz HATJJSUANCIJMW-KSSFIOAISA-N 1 0 378.480 2.486 50 0 GEAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC[NH+]1CCCCC1 ZINC000097938340 570596844 /nfs/dbraw/zinc/59/68/44/570596844.db2.gz XEUQJTKMODOCRK-UHFFFAOYSA-N 1 0 396.491 2.011 50 0 GEAARO Cc1nn(CC(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2cccn21 ZINC000006799620 570599644 /nfs/dbraw/zinc/59/96/44/570599644.db2.gz NYHOXPWWKQAZCC-UHFFFAOYSA-N 1 0 395.507 2.221 50 0 GEAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012039234 570599976 /nfs/dbraw/zinc/59/99/76/570599976.db2.gz QUCISYCPTAOTBU-WBWKYDSYSA-N 1 0 397.523 2.453 50 0 GEAARO COCCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681624 570602147 /nfs/dbraw/zinc/60/21/47/570602147.db2.gz SOGAFRMOEQMCEE-IRLDBZIGSA-N 1 0 379.504 2.312 50 0 GEAARO COCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)o1 ZINC000012072696 570604105 /nfs/dbraw/zinc/60/41/05/570604105.db2.gz VHMJZAVLLNHYPR-OAHLLOKOSA-N 1 0 388.468 2.435 50 0 GEAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012076345 570605405 /nfs/dbraw/zinc/60/54/05/570605405.db2.gz ZMBNTWKEGCIGTE-HXUWFJFHSA-N 1 0 376.520 2.281 50 0 GEAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCC[NH+](C)C ZINC000006807734 570609083 /nfs/dbraw/zinc/60/90/83/570609083.db2.gz QFZQAECECZWXFV-MRXNPFEDSA-N 1 0 381.480 2.043 50 0 GEAARO CCCC[NH+](CCCC)Cc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000004593211 570624059 /nfs/dbraw/zinc/62/40/59/570624059.db2.gz FNBBLKKEGSYNQC-UHFFFAOYSA-N 1 0 377.514 2.349 50 0 GEAARO C[N@H+](Cc1cccnc1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000012202834 570624909 /nfs/dbraw/zinc/62/49/09/570624909.db2.gz TXELJPKFGXPTOH-FQEVSTJZSA-N 1 0 375.419 2.345 50 0 GEAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(OC)c2)cc1 ZINC000033032748 570670052 /nfs/dbraw/zinc/67/00/52/570670052.db2.gz KWFVNPBIMNGKSZ-UHFFFAOYSA-N 1 0 395.503 2.332 50 0 GEAARO COC[C@H]1CCC[N@H+](CCNC(=O)c2cnn(-c3ccccc3OC)c2C)C1 ZINC000242191350 570688765 /nfs/dbraw/zinc/68/87/65/570688765.db2.gz XEVZTGNYFQDONQ-KRWDZBQOSA-N 1 0 386.496 2.278 50 0 GEAARO O[C@@H](COc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1)CN1CCOCC1 ZINC000012597327 570690169 /nfs/dbraw/zinc/69/01/69/570690169.db2.gz NENVECPBEJIKNB-LJQANCHMSA-N 1 0 392.446 2.327 50 0 GEAARO CC[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)CC1CCOCC1 ZINC000055360131 570692184 /nfs/dbraw/zinc/69/21/84/570692184.db2.gz YNGHQJXXESRDJN-UHFFFAOYSA-N 1 0 376.497 2.173 50 0 GEAARO COCc1nc(NCc2noc(Cc3cccs3)n2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244858636 570697106 /nfs/dbraw/zinc/69/71/06/570697106.db2.gz VPDAEDPLZNXARV-HAQNSBGRSA-N 1 0 386.481 2.475 50 0 GEAARO Cc1ccc(C[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)s1 ZINC000012704476 570699973 /nfs/dbraw/zinc/69/99/73/570699973.db2.gz KRNITARJGLPHBW-GOSISDBHSA-N 1 0 376.522 2.418 50 0 GEAARO O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012718150 570705268 /nfs/dbraw/zinc/70/52/68/570705268.db2.gz NKRTXFROPLEFLL-HNNXBMFYSA-N 1 0 383.414 2.408 50 0 GEAARO Cc1sc2nc(CCC(=O)NCC[N@H+]3CCC[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000058195533 570718472 /nfs/dbraw/zinc/71/84/72/570718472.db2.gz DXDMEPLLVWVZHM-GFCCVEGCSA-N 1 0 376.526 2.382 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248026095 570719648 /nfs/dbraw/zinc/71/96/48/570719648.db2.gz LRGKUAANCGQMLD-UHFFFAOYSA-N 1 0 383.540 2.338 50 0 GEAARO CCn1nc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000252510019 570729233 /nfs/dbraw/zinc/72/92/33/570729233.db2.gz ZAHZYQXDJKKMDF-INIZCTEOSA-N 1 0 375.517 2.181 50 0 GEAARO CCC[NH+]1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CC4)cn3)cc2)CC1 ZINC000065213168 570733435 /nfs/dbraw/zinc/73/34/35/570733435.db2.gz HDDNUJPEDVOFPZ-UHFFFAOYSA-N 1 0 395.507 2.066 50 0 GEAARO O=C(NCCC[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000061547579 570742793 /nfs/dbraw/zinc/74/27/93/570742793.db2.gz GRQVXKQMGYEAIN-UHFFFAOYSA-N 1 0 379.526 2.077 50 0 GEAARO C[NH+](C)CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062110 570748733 /nfs/dbraw/zinc/74/87/33/570748733.db2.gz ZCKJWMONUVLTPU-UHFFFAOYSA-N 1 0 381.889 2.054 50 0 GEAARO CCn1nc(C)c(CN(CCOC)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c1C ZINC000063833862 570750787 /nfs/dbraw/zinc/75/07/87/570750787.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 1 0 378.561 2.348 50 0 GEAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2ccc(CN(C)S(C)(=O)=O)o2)C[C@H]1O ZINC000065393554 570764626 /nfs/dbraw/zinc/76/46/26/570764626.db2.gz UNCBRMUFGGTUND-IAGOWNOFSA-N 1 0 398.550 2.391 50 0 GEAARO CC[NH+]1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274570 570776954 /nfs/dbraw/zinc/77/69/54/570776954.db2.gz TUHVKWKGISFPNE-UHFFFAOYSA-N 1 0 392.507 2.072 50 0 GEAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nnc3ccc(Cl)cn32)CC1 ZINC000065312483 570793989 /nfs/dbraw/zinc/79/39/89/570793989.db2.gz FHNDYMJPMJOYNC-UHFFFAOYSA-N 1 0 378.908 2.057 50 0 GEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn43)C2)CC1 ZINC000065312758 570794033 /nfs/dbraw/zinc/79/40/33/570794033.db2.gz CCFOFRDYNKUWPH-OAHLLOKOSA-N 1 0 390.919 2.153 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)NC(CC)(CC)C1=O)c1ccccc1 ZINC000036700642 570796541 /nfs/dbraw/zinc/79/65/41/570796541.db2.gz AIRRDTUGLCBHQA-QGZVFWFLSA-N 1 0 388.512 2.296 50 0 GEAARO C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1=O ZINC000012517017 570825579 /nfs/dbraw/zinc/82/55/79/570825579.db2.gz YIJNEXDBDGSZSU-INIZCTEOSA-N 1 0 394.475 2.191 50 0 GEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)C1 ZINC000004688192 570834431 /nfs/dbraw/zinc/83/44/31/570834431.db2.gz JLAPAHNRRISSTR-QZTJIDSGSA-N 1 0 384.524 2.497 50 0 GEAARO CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000032830695 570844573 /nfs/dbraw/zinc/84/45/73/570844573.db2.gz LFHAPCSCADLNOZ-LLGFUMIMSA-N 1 0 387.524 2.171 50 0 GEAARO COc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)cc1F ZINC000037170654 570845054 /nfs/dbraw/zinc/84/50/54/570845054.db2.gz MIQOXWIEKZJZLW-UHFFFAOYSA-N 1 0 386.471 2.400 50 0 GEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000032863575 570861776 /nfs/dbraw/zinc/86/17/76/570861776.db2.gz LCQOSPHSBUAPDY-QGZVFWFLSA-N 1 0 378.492 2.014 50 0 GEAARO CC(=O)NCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000103449962 570885331 /nfs/dbraw/zinc/88/53/31/570885331.db2.gz ZORKOQHNHYBYSF-FQEVSTJZSA-N 1 0 387.505 2.000 50 0 GEAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(C)cc2)c2cccnc2)CC1 ZINC000022457233 570896264 /nfs/dbraw/zinc/89/62/64/570896264.db2.gz SUSOFZZPEDOWDJ-HXUWFJFHSA-N 1 0 388.537 2.047 50 0 GEAARO Cc1cccc(-c2nc3[nH]c(C[N@H+](CCO)Cc4ccccc4)cc(=O)n3n2)c1 ZINC000101748092 570901546 /nfs/dbraw/zinc/90/15/46/570901546.db2.gz BIJYOUWORADBPN-UHFFFAOYSA-N 1 0 389.459 2.388 50 0 GEAARO Cc1cccc2[nH]c(CCN(C)C(=O)NCC3(C[NH+]4CCN(C)CC4)CC3)nc21 ZINC000534584414 570903547 /nfs/dbraw/zinc/90/35/47/570903547.db2.gz ZBHCUHCILHMSDB-UHFFFAOYSA-N 1 0 398.555 2.083 50 0 GEAARO O=C(NCCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127445 570912510 /nfs/dbraw/zinc/91/25/10/570912510.db2.gz REDJPLXNAXJIDA-UHFFFAOYSA-N 1 0 379.504 2.374 50 0 GEAARO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000023127599 570912981 /nfs/dbraw/zinc/91/29/81/570912981.db2.gz ZVFHQIAXAATJQY-UHFFFAOYSA-N 1 0 380.510 2.391 50 0 GEAARO Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000534651193 570914228 /nfs/dbraw/zinc/91/42/28/570914228.db2.gz RVVSJARCRCGUOY-UHFFFAOYSA-N 1 0 379.360 2.374 50 0 GEAARO Cc1ccccc1OC[C@@H](C)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000534653751 570914619 /nfs/dbraw/zinc/91/46/19/570914619.db2.gz OSNKNVUYVZCZQF-LJQANCHMSA-N 1 0 388.556 2.431 50 0 GEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCOc2ccc(CO)cc2C1 ZINC000534656715 570915917 /nfs/dbraw/zinc/91/59/17/570915917.db2.gz WEZFHFNUHVTYBC-UHFFFAOYSA-N 1 0 381.476 2.141 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)CSc1ncnc2c1cnn2C)c1ccco1 ZINC000089967810 570921930 /nfs/dbraw/zinc/92/19/30/570921930.db2.gz PEMSIUJUNJSBGK-CQSZACIVSA-N 1 0 388.497 2.248 50 0 GEAARO COc1cccc([C@H](CNC(=O)CCN2C(=O)COc3ccccc32)[NH+](C)C)c1 ZINC000052839190 570950003 /nfs/dbraw/zinc/95/00/03/570950003.db2.gz JAQKTFACJVHIGM-IBGZPJMESA-N 1 0 397.475 2.230 50 0 GEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713764 570975558 /nfs/dbraw/zinc/97/55/58/570975558.db2.gz XPVZCOWQZLNYDV-KRWDZBQOSA-N 1 0 398.429 2.407 50 0 GEAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511645 570981671 /nfs/dbraw/zinc/98/16/71/570981671.db2.gz IZUIPSQIWPNMNJ-CEMLEFRQSA-N 1 0 398.595 2.181 50 0 GEAARO COCCCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1=O ZINC000252570974 570995891 /nfs/dbraw/zinc/99/58/91/570995891.db2.gz XMBXEMRDEDHINM-OALUTQOASA-N 1 0 389.540 2.496 50 0 GEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1C ZINC000045944271 571005063 /nfs/dbraw/zinc/00/50/63/571005063.db2.gz OEUBZRDDFLRQIL-UHFFFAOYSA-N 1 0 395.569 2.162 50 0 GEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000045944672 571005717 /nfs/dbraw/zinc/00/57/17/571005717.db2.gz XCGXUABDJBGYDK-UHFFFAOYSA-N 1 0 393.553 2.140 50 0 GEAARO COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000170673753 571008540 /nfs/dbraw/zinc/00/85/40/571008540.db2.gz ANJSSHYNIJFVSB-UHFFFAOYSA-N 1 0 381.476 2.117 50 0 GEAARO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046028638 571013716 /nfs/dbraw/zinc/01/37/16/571013716.db2.gz LNXUFFVABXVTQA-MRXNPFEDSA-N 1 0 390.281 2.002 50 0 GEAARO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000128439377 643802917 /nfs/dbraw/zinc/80/29/17/643802917.db2.gz NBSJGMIZXYRGDD-HZPDHXFCSA-N 1 0 385.917 2.124 50 0 GEAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000130870036 643853674 /nfs/dbraw/zinc/85/36/74/643853674.db2.gz HYVPLDQJEFYHKV-MRXNPFEDSA-N 1 0 385.961 2.442 50 0 GEAARO COc1cccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)c1 ZINC000019359993 210244414 /nfs/dbraw/zinc/24/44/14/210244414.db2.gz SXBIQOMQLLMPLY-UHFFFAOYSA-N 1 0 392.569 2.120 50 0 GEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)N2CCC(n3cnnc3)CC2)C1 ZINC000426387241 231212904 /nfs/dbraw/zinc/21/29/04/231212904.db2.gz JAKKGUKOAUYZEH-SFHVURJKSA-N 1 0 382.512 2.423 50 0 GEAARO Cc1cccnc1CN(Cc1ccccc1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000426496629 231230211 /nfs/dbraw/zinc/23/02/11/231230211.db2.gz DMKUXPQTDIBWDJ-UHFFFAOYSA-N 1 0 381.524 2.349 50 0 GEAARO O=C(NCc1ccc2nsnc2c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426518827 231234335 /nfs/dbraw/zinc/23/43/35/231234335.db2.gz REBHOWXVKFUYPS-UHFFFAOYSA-N 1 0 377.539 2.414 50 0 GEAARO O=C(NCc1cn2ccsc2n1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426546114 231238305 /nfs/dbraw/zinc/23/83/05/231238305.db2.gz HTXCKLPXKJFPAL-UHFFFAOYSA-N 1 0 381.505 2.390 50 0 GEAARO Cn1ncc2cc(-c3cccc(C(=O)NC[C@H]4C[N@H+](C)CCN4C)c3)ccc21 ZINC000426633944 231247481 /nfs/dbraw/zinc/24/74/81/231247481.db2.gz NQILUAMUHRPNEX-FQEVSTJZSA-N 1 0 377.492 2.216 50 0 GEAARO CN(C(=O)c1ccc(-c2nc3ccccc3n2CCO)cc1)[C@H]1CC[N@H+](C)C1 ZINC000426677401 231251202 /nfs/dbraw/zinc/25/12/02/231251202.db2.gz GSKNLPNMOIIWBZ-SFHVURJKSA-N 1 0 378.476 2.472 50 0 GEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC(c2ccccn2)C1 ZINC000426677404 231251930 /nfs/dbraw/zinc/25/19/30/231251930.db2.gz GYRZXXKVFGTJHV-UHFFFAOYSA-N 1 0 379.508 2.008 50 0 GEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018250295 210218544 /nfs/dbraw/zinc/21/85/44/210218544.db2.gz ZHVHDJFDVFKQNU-QGZVFWFLSA-N 1 0 384.432 2.177 50 0 GEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000018093498 210212806 /nfs/dbraw/zinc/21/28/06/210212806.db2.gz FIKPUGRWBLMTDQ-LJQANCHMSA-N 1 0 393.443 2.244 50 0 GEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024649 210183222 /nfs/dbraw/zinc/18/32/22/210183222.db2.gz FWFOKESFNUMURE-FHZSFIAUSA-N 1 0 387.455 2.391 50 0 GEAARO CC(C)CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000015864074 210176556 /nfs/dbraw/zinc/17/65/56/210176556.db2.gz QBJPXAHKRSNRGK-UHFFFAOYSA-N 1 0 396.329 2.369 50 0 GEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3cc(OC)cc(OC)c3)c(C)n2)CC1 ZINC000015778107 210170078 /nfs/dbraw/zinc/17/00/78/210170078.db2.gz KQPFYLTXCIDOCU-UHFFFAOYSA-N 1 0 385.468 2.196 50 0 GEAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000015184623 210154301 /nfs/dbraw/zinc/15/43/01/210154301.db2.gz NLDKARNUMCRQOC-UHFFFAOYSA-N 1 0 393.871 2.456 50 0 GEAARO Cc1c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015065500 210146402 /nfs/dbraw/zinc/14/64/02/210146402.db2.gz JISLVKNDOXJTIE-QGZVFWFLSA-N 1 0 378.480 2.033 50 0 GEAARO COc1ccc(C[NH+]2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c(OC)c1 ZINC000014995282 210141348 /nfs/dbraw/zinc/14/13/48/210141348.db2.gz PXVZIWGEBOICMC-UHFFFAOYSA-N 1 0 387.484 2.271 50 0 GEAARO COc1cc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc2c1OCO2 ZINC000014978080 210139123 /nfs/dbraw/zinc/13/91/23/210139123.db2.gz PURKXYXDXCPAIN-QGZVFWFLSA-N 1 0 386.423 2.496 50 0 GEAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCN1CCOCC1 ZINC000014976743 210138001 /nfs/dbraw/zinc/13/80/01/210138001.db2.gz HWSXTVRQJQLADZ-LJQANCHMSA-N 1 0 391.531 2.261 50 0 GEAARO O=C(Nc1cccc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)c1)c1ccncc1 ZINC000014971802 210136455 /nfs/dbraw/zinc/13/64/55/210136455.db2.gz RLGDAIQSIZHOEZ-NRFANRHFSA-N 1 0 396.491 2.308 50 0 GEAARO O=C(CC[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)NC1CC1 ZINC000014954564 210134575 /nfs/dbraw/zinc/13/45/75/210134575.db2.gz PTCCJGOCLPORKU-OAHLLOKOSA-N 1 0 378.542 2.251 50 0 GEAARO COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4cc(C)[nH+]c(N)n4)C[C@@H]32)cc1 ZINC000014954814 210133641 /nfs/dbraw/zinc/13/36/41/210133641.db2.gz VAQUBPLMBAXUDW-DLBZAZTESA-N 1 0 383.452 2.018 50 0 GEAARO CSc1ncc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000014958266 210133690 /nfs/dbraw/zinc/13/36/90/210133690.db2.gz ZVMRLGWQHPYPEX-KRWDZBQOSA-N 1 0 378.542 2.486 50 0 GEAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH+]1CCC(O)CC1)CC2 ZINC000014746808 210126458 /nfs/dbraw/zinc/12/64/58/210126458.db2.gz TTWZDVPLSAYFLI-QGZVFWFLSA-N 1 0 388.556 2.479 50 0 GEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014745418 210126133 /nfs/dbraw/zinc/12/61/33/210126133.db2.gz XKGHMVKWGUWIHF-LJQANCHMSA-N 1 0 395.551 2.328 50 0 GEAARO COc1cc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc(OC)c1 ZINC000014746832 210126003 /nfs/dbraw/zinc/12/60/03/210126003.db2.gz JRTWNXGPZZKFRM-MRXNPFEDSA-N 1 0 398.507 2.320 50 0 GEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCOC(C)C)C2 ZINC000014742285 210125191 /nfs/dbraw/zinc/12/51/91/210125191.db2.gz AQOOEDSFDXCDQQ-MRXNPFEDSA-N 1 0 394.585 2.354 50 0 GEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014540705 210120245 /nfs/dbraw/zinc/12/02/45/210120245.db2.gz LAICVVSZNYMEEY-INIZCTEOSA-N 1 0 376.545 2.288 50 0 GEAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014538143 210119875 /nfs/dbraw/zinc/11/98/75/210119875.db2.gz UYSKFHSUULMGMA-QGZVFWFLSA-N 1 0 384.524 2.158 50 0 GEAARO COC(=O)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539786 210119803 /nfs/dbraw/zinc/11/98/03/210119803.db2.gz YVGPCRHCRHTBDX-MRXNPFEDSA-N 1 0 390.528 2.175 50 0 GEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000013010177 210045724 /nfs/dbraw/zinc/04/57/24/210045724.db2.gz KIRZYSMLDULWQK-OAQYLSRUSA-N 1 0 390.491 2.238 50 0 GEAARO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(=O)NCc1ccccc1 ZINC000012865975 210020391 /nfs/dbraw/zinc/02/03/91/210020391.db2.gz WVIOFYRIGHEOSB-QGZVFWFLSA-N 1 0 391.475 2.436 50 0 GEAARO CCOc1ccc(NC(=O)C[NH+](CC)CC)cc1S(=O)(=O)N(CC)CC ZINC000012765303 210005752 /nfs/dbraw/zinc/00/57/52/210005752.db2.gz HPMVWVQHQJZZEL-UHFFFAOYSA-N 1 0 385.530 2.396 50 0 GEAARO COCC[N@H+](C)CCNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306969 531917533 /nfs/dbraw/zinc/91/75/33/531917533.db2.gz PUVBWMSWJBAKAF-KRWDZBQOSA-N 1 0 398.345 2.280 50 0 GEAARO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1Br ZINC000236861862 532499029 /nfs/dbraw/zinc/49/90/29/532499029.db2.gz UPIOFFMPVMNUAP-LBPRGKRZSA-N 1 0 391.331 2.468 50 0 GEAARO COCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000299747461 532737647 /nfs/dbraw/zinc/73/76/47/532737647.db2.gz DBQVRAFDTRXPKU-TZMCWYRMSA-N 1 0 376.906 2.113 50 0 GEAARO CCOc1cc(C[NH2+]C(C)C)cc(I)c1OCC(N)=O ZINC000004839509 209532755 /nfs/dbraw/zinc/53/27/55/209532755.db2.gz HKMDQLAMAZONFK-UHFFFAOYSA-N 1 0 392.237 2.052 50 0 GEAARO C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000002653988 209375643 /nfs/dbraw/zinc/37/56/43/209375643.db2.gz TWSHJUXNJYBORW-UHFFFAOYSA-N 1 0 399.944 2.292 50 0 GEAARO COC[C@@H](C)OC(=O)c1c(N)n(CCC[NH+](C)C)c2nc3ccccc3nc12 ZINC000002239194 209352085 /nfs/dbraw/zinc/35/20/85/209352085.db2.gz LRKXULFNEPXVDA-CYBMUJFWSA-N 1 0 385.468 2.310 50 0 GEAARO COc1cc2c(cc1OC)[C@@]13CC[N@@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000001069090 209296729 /nfs/dbraw/zinc/29/67/29/209296729.db2.gz RRKTZKIUPZVBMF-IBTVXLQLSA-N 1 0 394.471 2.110 50 0 biogenic,investigational GEAARO O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253401392 209217455 /nfs/dbraw/zinc/21/74/55/209217455.db2.gz FOVHEDNCRWBNIY-OXJNMPFZSA-N 1 0 398.482 2.430 50 0 GEAARO COc1ccc(CNC(=O)C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000253401004 209217247 /nfs/dbraw/zinc/21/72/47/209217247.db2.gz MGQHAPVYTXYOPE-UHFFFAOYSA-N 1 0 396.491 2.048 50 0 GEAARO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000132446288 212059636 /nfs/dbraw/zinc/05/96/36/212059636.db2.gz DCKRXPPTFVRGQK-HNNXBMFYSA-N 1 0 377.286 2.484 50 0 GEAARO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000299790709 212038842 /nfs/dbraw/zinc/03/88/42/212038842.db2.gz BUCTYGKIWPGZRA-QGZVFWFLSA-N 1 0 376.501 2.102 50 0 GEAARO O=C(c1cccc(-c2cnc(=O)[nH]c2)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000299755318 212031582 /nfs/dbraw/zinc/03/15/82/212031582.db2.gz HHKICRWFRQFJHE-MRXNPFEDSA-N 1 0 382.464 2.034 50 0 GEAARO CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000252489655 211985087 /nfs/dbraw/zinc/98/50/87/211985087.db2.gz JVOSTCMRJDLHMH-UHFFFAOYSA-N 1 0 387.505 2.314 50 0 GEAARO COc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1Br ZINC000225434508 211897394 /nfs/dbraw/zinc/89/73/94/211897394.db2.gz AAVIEZZEYUDVOR-GFCCVEGCSA-N 1 0 393.285 2.105 50 0 GEAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582728 211766684 /nfs/dbraw/zinc/76/66/84/211766684.db2.gz BQBXALGZMNZOBG-HXUWFJFHSA-N 1 0 398.482 2.178 50 0 GEAARO CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000170677047 211666945 /nfs/dbraw/zinc/66/69/45/211666945.db2.gz ZXWWIGDHGRGUOM-WBVHZDCISA-N 1 0 381.542 2.064 50 0 GEAARO CCNC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)ccc1Cl ZINC000097447000 211364930 /nfs/dbraw/zinc/36/49/30/211364930.db2.gz WLYXQJPISCEFSG-CQSZACIVSA-N 1 0 382.892 2.058 50 0 GEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397698 211340224 /nfs/dbraw/zinc/34/02/24/211340224.db2.gz YCFZBXZQARDKRP-LBPRGKRZSA-N 1 0 386.431 2.117 50 0 GEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397697 211339066 /nfs/dbraw/zinc/33/90/66/211339066.db2.gz YCFZBXZQARDKRP-GFCCVEGCSA-N 1 0 386.431 2.117 50 0 GEAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000096130898 211304074 /nfs/dbraw/zinc/30/40/74/211304074.db2.gz NETMIJAKFMRJLR-IBGZPJMESA-N 1 0 375.488 2.129 50 0 GEAARO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000095958826 211287581 /nfs/dbraw/zinc/28/75/81/211287581.db2.gz FGQARDXBCQGDSV-QGZVFWFLSA-N 1 0 379.508 2.332 50 0 GEAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(N(C)C)nc1)CC2 ZINC000095528836 211274956 /nfs/dbraw/zinc/27/49/56/211274956.db2.gz CWXJNUROLAZSSB-UHFFFAOYSA-N 1 0 383.544 2.415 50 0 GEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)[nH]c2=O)C1 ZINC000095525437 211272039 /nfs/dbraw/zinc/27/20/39/211272039.db2.gz MNOOWFQFPJEFBA-QGZVFWFLSA-N 1 0 398.507 2.114 50 0 GEAARO COc1cc(CN2CCOC(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095527929 211271476 /nfs/dbraw/zinc/27/14/76/211271476.db2.gz RPTDCMHAZKIXGI-GOSISDBHSA-N 1 0 378.513 2.142 50 0 GEAARO Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095525160 211270458 /nfs/dbraw/zinc/27/04/58/211270458.db2.gz GNHXSJJQOIASBY-AWEZNQCLSA-N 1 0 378.908 2.242 50 0 GEAARO CC(=O)c1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)c(=O)[nH]c1C ZINC000095525155 211269576 /nfs/dbraw/zinc/26/95/76/211269576.db2.gz MVIRUFOUYOWURB-VQTJNVASSA-N 1 0 381.476 2.364 50 0 GEAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(C)cc1OC)CC2 ZINC000095524311 211269206 /nfs/dbraw/zinc/26/92/06/211269206.db2.gz SWLBWEBCLNHULO-UHFFFAOYSA-N 1 0 398.507 2.249 50 0 GEAARO COc1cc(CN(C)Cc2cc(C)on2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095519608 211266638 /nfs/dbraw/zinc/26/66/38/211266638.db2.gz NXSDQKWHGAAYCV-IBGZPJMESA-N 1 0 389.496 2.459 50 0 GEAARO Cn1cc(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)c2ccccc21 ZINC000095518463 211264907 /nfs/dbraw/zinc/26/49/07/211264907.db2.gz ZJNHZOWTLKHBAW-UHFFFAOYSA-N 1 0 377.492 2.450 50 0 GEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000095496604 211251340 /nfs/dbraw/zinc/25/13/40/211251340.db2.gz MXXXBIONASIKQF-LJQANCHMSA-N 1 0 378.476 2.482 50 0 GEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1c(C)nn(C)c1C)CC2 ZINC000095518653 211263536 /nfs/dbraw/zinc/26/35/36/211263536.db2.gz OMTWTDDBAZBKAQ-UHFFFAOYSA-N 1 0 384.528 2.089 50 0 GEAARO COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)c(OC)c1 ZINC000095511958 211262339 /nfs/dbraw/zinc/26/23/39/211262339.db2.gz ATPXPRRYCPJBJQ-HNNXBMFYSA-N 1 0 391.512 2.076 50 0 GEAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)[nH]c2=O)C1 ZINC000095509383 211259634 /nfs/dbraw/zinc/25/96/34/211259634.db2.gz QLKGFVZYYJEHNE-SFHVURJKSA-N 1 0 382.508 2.413 50 0 GEAARO O=C(CCO)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095508234 211259341 /nfs/dbraw/zinc/25/93/41/211259341.db2.gz RVYBSGKJBGUNKN-LJQANCHMSA-N 1 0 378.488 2.428 50 0 GEAARO Cc1ccnn1CCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095502039 211256140 /nfs/dbraw/zinc/25/61/40/211256140.db2.gz FSEWGDJVWKMMBK-UHFFFAOYSA-N 1 0 384.528 2.337 50 0 GEAARO Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c1O ZINC000095389094 211236617 /nfs/dbraw/zinc/23/66/17/211236617.db2.gz SRKANBBOFQCXMF-UHFFFAOYSA-N 1 0 387.524 2.497 50 0 GEAARO CC1(C)CC(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc43)C2)CC(C)(C)[NH2+]1 ZINC000095478558 211249165 /nfs/dbraw/zinc/24/91/65/211249165.db2.gz HXDCWXOLERNWOY-ZDUSSCGKSA-N 1 0 383.496 2.341 50 0 GEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000095357489 211223754 /nfs/dbraw/zinc/22/37/54/211223754.db2.gz YKZZZHWUJUOAKI-NRFANRHFSA-N 1 0 385.552 2.437 50 0 GEAARO 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CC(C)(C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)N1CCCC1 ZINC000067673939 211014865 /nfs/dbraw/zinc/01/48/65/211014865.db2.gz GRYNAEAHVBYNOE-OAQYLSRUSA-N 1 0 395.494 2.282 50 0 GEAARO CCn1c(=O)[nH]nc1C1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000067642763 211013619 /nfs/dbraw/zinc/01/36/19/211013619.db2.gz DVLOWBUAMJGDQF-CYBMUJFWSA-N 1 0 375.498 2.097 50 0 GEAARO CCc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000067614106 211013195 /nfs/dbraw/zinc/01/31/95/211013195.db2.gz XRWFYJDBXKZYPY-UHFFFAOYSA-N 1 0 395.507 2.146 50 0 GEAARO COc1ccc(CC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000067614210 211012620 /nfs/dbraw/zinc/01/26/20/211012620.db2.gz DLUMJFMOFNPAOZ-UHFFFAOYSA-N 1 0 395.507 2.285 50 0 GEAARO CN(C)C(=O)C[NH+]1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000067643516 211012157 /nfs/dbraw/zinc/01/21/57/211012157.db2.gz HJAAOKJYYUAJPZ-UHFFFAOYSA-N 1 0 388.447 2.391 50 0 GEAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000034912272 210672816 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CCC[NH+]1CCN(CCCNC(=O)C2=C(C)C(=O)OC23CCCCC3)CC1 ZINC000020532896 210345374 /nfs/dbraw/zinc/34/53/74/210345374.db2.gz ZCRHJVRXBBCCAN-UHFFFAOYSA-N 1 0 377.529 2.097 50 0 GEAARO Cc1cccn2c(C[NH2+][C@H](C)Cc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000019838841 210301246 /nfs/dbraw/zinc/30/12/46/210301246.db2.gz VTGMIMWMEQBCEN-QGZVFWFLSA-N 1 0 393.491 2.231 50 0 GEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2nccnc2c1 ZINC000019924897 210306246 /nfs/dbraw/zinc/30/62/46/210306246.db2.gz CEOPDAQLYJEPCW-UHFFFAOYSA-N 1 0 375.476 2.177 50 0 GEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)CC1 ZINC000019792751 210297113 /nfs/dbraw/zinc/29/71/13/210297113.db2.gz XZYKCSWRAHGDCK-GOSISDBHSA-N 1 0 398.511 2.006 50 0 GEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000019790842 210295713 /nfs/dbraw/zinc/29/57/13/210295713.db2.gz RWHYNOLKKVMKMB-LJQANCHMSA-N 1 0 396.443 2.336 50 0 GEAARO Cc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000019789531 210294436 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CC(C)/C=C/C(=O)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000011933197 221137424 /nfs/dbraw/zinc/13/74/24/221137424.db2.gz YLRMDJOKVUYNRQ-RRFGBZISSA-N 1 0 391.556 2.197 50 0 GEAARO COCC[NH+]1CCC(CN(C)c2nc3nonc3nc2NC2CCCC2)CC1 ZINC000011934046 221137834 /nfs/dbraw/zinc/13/78/34/221137834.db2.gz QYOKOCUXGRCLIC-UHFFFAOYSA-N 1 0 389.504 2.162 50 0 GEAARO Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012711 221375326 /nfs/dbraw/zinc/37/53/26/221375326.db2.gz WTAUYPUTOIMZPX-UHFFFAOYSA-N 1 0 395.916 2.015 50 0 GEAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(OC)cc(OC)c3)cn2)CC1 ZINC000040118609 132397593 /nfs/dbraw/zinc/39/75/93/132397593.db2.gz SOMCILYLFOOLQC-UHFFFAOYSA-N 1 0 384.480 2.171 50 0 GEAARO COc1ccccc1N1CC[NH+](CCC[C@@H]2Oc3cccnc3NC2=O)CC1 ZINC000063117811 136156382 /nfs/dbraw/zinc/15/63/82/136156382.db2.gz WOAMURYPMBZGTI-IBGZPJMESA-N 1 0 382.464 2.392 50 0 GEAARO Cc1ccc2nc(C)cc(C(=O)N3CCN(c4cc(C)[nH+]c(N)n4)CC3)c2c1 ZINC000065419502 136163927 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50 0 GEAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc2c(n1)CCCC2=O ZINC000095997255 136183016 /nfs/dbraw/zinc/18/30/16/136183016.db2.gz PTUVJRPTNVAYGA-UHFFFAOYSA-N 1 0 392.503 2.429 50 0 GEAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000022930805 136204571 /nfs/dbraw/zinc/20/45/71/136204571.db2.gz WREKLZLNEFYLFD-UHFFFAOYSA-N 1 0 378.476 2.180 50 0 GEAARO CCc1ccc(N(CCCC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000067601962 222150678 /nfs/dbraw/zinc/15/06/78/222150678.db2.gz GFUWDVVYWZNZLQ-UHFFFAOYSA-N 1 0 381.542 2.006 50 0 GEAARO O=C(NCC1CC[NH+](CCO)CC1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000426578889 534820820 /nfs/dbraw/zinc/82/08/20/534820820.db2.gz XGLKRALEYRTWCJ-UHFFFAOYSA-N 1 0 379.476 2.083 50 0 GEAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cccnc1-n1cccn1)[C@H](O)c1ccccc1 ZINC000048197870 570219867 /nfs/dbraw/zinc/21/98/67/570219867.db2.gz IJLPNWQUPPHISL-IEBWSBKVSA-N 1 0 394.479 2.300 50 0 GEAARO Cn1c(C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000012809773 570221658 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570340245 /nfs/dbraw/zinc/34/02/45/570340245.db2.gz IMMRUZRHDKNDOV-DZGCQCFKSA-N 1 0 386.414 2.293 50 0 GEAARO C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 ZINC000004851771 570347119 /nfs/dbraw/zinc/34/71/19/570347119.db2.gz XEIFKEVXIMYGGK-UHFFFAOYSA-N 1 0 386.521 2.415 50 0 GEAARO O=C(CN1C(=O)CCCC1=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000023158346 570347370 /nfs/dbraw/zinc/34/73/70/570347370.db2.gz RUAJNLJBTPYUGX-HSZRJFAPSA-N 1 0 397.519 2.430 50 0 GEAARO CCOC(=O)N1CCC([N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)CC1 ZINC000023358856 570356179 /nfs/dbraw/zinc/35/61/79/570356179.db2.gz DZYPOOUNFJVDTQ-IBGZPJMESA-N 1 0 393.503 2.315 50 0 GEAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(c3cnn(C)c(=O)c3)CC1)CC2 ZINC000023380135 570359478 /nfs/dbraw/zinc/35/94/78/570359478.db2.gz XTHCFUIQYBQOCN-IBGZPJMESA-N 1 0 382.508 2.152 50 0 GEAARO CN1CCN(c2ccc(N3CCC([NH+]4CC(n5cccn5)C4)CC3)cc2)C1=O ZINC000023478730 570363242 /nfs/dbraw/zinc/36/32/42/570363242.db2.gz VLEDXWXZCIRIOO-UHFFFAOYSA-N 1 0 380.496 2.281 50 0 GEAARO COc1cc(OC)cc([C@H]2CCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)c1 ZINC000237468681 570370297 /nfs/dbraw/zinc/37/02/97/570370297.db2.gz RYNOFBQAPIKFNM-HNNXBMFYSA-N 1 0 399.495 2.158 50 0 GEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000237492719 570373402 /nfs/dbraw/zinc/37/34/02/570373402.db2.gz LZNSNIFNRWHAQY-ZENOOKHLSA-N 1 0 394.313 2.388 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccc2c(c1)CCO2 ZINC000090607277 570383519 /nfs/dbraw/zinc/38/35/19/570383519.db2.gz VBODIYKLQJRVQL-LJQANCHMSA-N 1 0 385.508 2.347 50 0 GEAARO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000024733976 570390599 /nfs/dbraw/zinc/39/05/99/570390599.db2.gz YQIDJTIKRQJGRA-UXHICEINSA-N 1 0 386.517 2.206 50 0 GEAARO CCCn1cc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)n1 ZINC000222510331 570413034 /nfs/dbraw/zinc/41/30/34/570413034.db2.gz SZSCVSLOTXXEKG-HXUWFJFHSA-N 1 0 383.500 2.019 50 0 GEAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695250 570418249 /nfs/dbraw/zinc/41/82/49/570418249.db2.gz DOHJXNLIPUQWJL-RDTXWAMCSA-N 1 0 391.489 2.383 50 0 GEAARO O=C(NCCC[N@H+]1CC=C(c2ccccc2)CC1)c1nc(-c2ccncn2)no1 ZINC000064459844 570465366 /nfs/dbraw/zinc/46/53/66/570465366.db2.gz NQCKPVIUPKMYFJ-UHFFFAOYSA-N 1 0 390.447 2.436 50 0 GEAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030503671 570489945 /nfs/dbraw/zinc/48/99/45/570489945.db2.gz KKHFANVUFGXLGT-UHFFFAOYSA-N 1 0 387.505 2.354 50 0 GEAARO COc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c1OC ZINC000006605291 570496136 /nfs/dbraw/zinc/49/61/36/570496136.db2.gz QBMDKYQPUOYTRC-QGZVFWFLSA-N 1 0 389.448 2.442 50 0 GEAARO CCCC[N@H+](CC)CCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006997776 570500142 /nfs/dbraw/zinc/50/01/42/570500142.db2.gz PYBZRDNQNGHJGB-UHFFFAOYSA-N 1 0 383.496 2.424 50 0 GEAARO CN(Cc1cc(-c2cccnc2)no1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426622951 570502159 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2.486 50 0 GEAARO C[NH+](C)CCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000010111520 570565556 /nfs/dbraw/zinc/56/55/56/570565556.db2.gz QLGFTFPROFNEQZ-UHFFFAOYSA-N 1 0 395.912 2.213 50 0 GEAARO COC[C@H](C)NC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000011668094 570579498 /nfs/dbraw/zinc/57/94/98/570579498.db2.gz KZPUOVFBEGBYQM-SFHVURJKSA-N 1 0 388.556 2.218 50 0 GEAARO CCC(CC)C[N@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000011869861 570588778 /nfs/dbraw/zinc/58/87/78/570588778.db2.gz STPRACOHMCBWDV-UHFFFAOYSA-N 1 0 399.539 2.310 50 0 GEAARO Cc1cccc(-n2ccnc2CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039358351 570589590 /nfs/dbraw/zinc/58/95/90/570589590.db2.gz HVVIIFAXRPFWJN-JOCHJYFZSA-N 1 0 397.567 2.144 50 0 GEAARO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000011945312 570595366 /nfs/dbraw/zinc/59/53/66/570595366.db2.gz FKRXWFWDAYODOW-FQEVSTJZSA-N 1 0 386.540 2.203 50 0 GEAARO CC(=O)Nc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000011977322 570596824 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375.419 2.345 50 0 GEAARO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000136591488 570625308 /nfs/dbraw/zinc/62/53/08/570625308.db2.gz ZZDWHMVMVVCQRA-ZSDSOXJFSA-N 1 0 379.460 2.491 50 0 GEAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCOCC1 ZINC000012207346 570626287 /nfs/dbraw/zinc/62/62/87/570626287.db2.gz JLPGOGJUQGXFKS-UHFFFAOYSA-N 1 0 398.507 2.367 50 0 GEAARO CCOC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)CC1 ZINC000012299290 570635382 /nfs/dbraw/zinc/63/53/82/570635382.db2.gz MGEKULKXWVHQPH-SFHVURJKSA-N 1 0 389.496 2.049 50 0 GEAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000012373292 570648620 /nfs/dbraw/zinc/64/86/20/570648620.db2.gz BVEAERRVFLIJPQ-OAHLLOKOSA-N 1 0 387.402 2.048 50 0 GEAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000012441111 570664521 /nfs/dbraw/zinc/66/45/21/570664521.db2.gz DNOOLZPQCOBBSI-SFHVURJKSA-N 1 0 391.471 2.406 50 0 GEAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000012441633 570664543 /nfs/dbraw/zinc/66/45/43/570664543.db2.gz ZPOKCYUPECOBFF-QGZVFWFLSA-N 1 0 378.498 2.362 50 0 GEAARO CC(C)CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000033032521 570669573 /nfs/dbraw/zinc/66/95/73/570669573.db2.gz JIQQGSTZDUTWEE-UHFFFAOYSA-N 1 0 396.329 2.369 50 0 GEAARO O=C(CCN1CCCCO1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055053226 570679970 /nfs/dbraw/zinc/67/99/70/570679970.db2.gz FQBLBNRMPSYMKI-OAQYLSRUSA-N 1 0 386.540 2.217 50 0 GEAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)CC1 ZINC000055088993 570682631 /nfs/dbraw/zinc/68/26/31/570682631.db2.gz YMQARPIRBCAXTM-IBGZPJMESA-N 1 0 385.508 2.386 50 0 GEAARO COCCn1nc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1=O ZINC000036397911 570682657 /nfs/dbraw/zinc/68/26/57/570682657.db2.gz BVXUCDRNWIWZLS-KRWDZBQOSA-N 1 0 398.507 2.194 50 0 GEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1cnc2ccccn12 ZINC000055133459 570684461 /nfs/dbraw/zinc/68/44/61/570684461.db2.gz OHFXDXZMLYWCNB-NRFANRHFSA-N 1 0 382.439 2.117 50 0 GEAARO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000241124164 570685921 /nfs/dbraw/zinc/68/59/21/570685921.db2.gz JGALRWMSKAQAMQ-WAOWUJCRSA-N 1 0 388.531 2.421 50 0 GEAARO Cc1cc(-n2nnc(C(=O)NCCC[NH+](C)C)c2-c2ccncc2)ccc1F ZINC000065083433 570686080 /nfs/dbraw/zinc/68/60/80/570686080.db2.gz ARXGQYXLWZWXLD-UHFFFAOYSA-N 1 0 382.443 2.458 50 0 GEAARO CCOC(=O)CNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012612875 570690699 /nfs/dbraw/zinc/69/06/99/570690699.db2.gz SOMRVNOLPHLROT-SFHVURJKSA-N 1 0 375.513 2.454 50 0 GEAARO Cn1c(CO)nnc1C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000244873134 570697730 /nfs/dbraw/zinc/69/77/30/570697730.db2.gz WKOIFUCQTMATSJ-UHFFFAOYSA-N 1 0 377.876 2.169 50 0 GEAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012706559 570700493 /nfs/dbraw/zinc/70/04/93/570700493.db2.gz SFYQGIALHPIDRJ-UHFFFAOYSA-N 1 0 375.498 2.104 50 0 GEAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000012712147 570703057 /nfs/dbraw/zinc/70/30/57/570703057.db2.gz IKWZCJBHJIUQFH-SFHVURJKSA-N 1 0 384.524 2.316 50 0 GEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CN3CCCC3=O)C2)cc1 ZINC000012715850 570704403 /nfs/dbraw/zinc/70/44/03/570704403.db2.gz XYHUJGSZPNOQPP-IBGZPJMESA-N 1 0 387.524 2.031 50 0 GEAARO CCc1ncc(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1 ZINC000012747878 570709309 /nfs/dbraw/zinc/70/93/09/570709309.db2.gz VULUDFRUWUOLOI-GOSISDBHSA-N 1 0 382.512 2.205 50 0 GEAARO C[C@@H]1Oc2ccc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)cc2NC1=O ZINC000058162062 570712699 /nfs/dbraw/zinc/71/26/99/570712699.db2.gz RFLOAQZMVDYGKC-JJRVBVJISA-N 1 0 388.468 2.028 50 0 GEAARO C[NH+](C)Cc1ccccc1CNC(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000058168132 570714362 /nfs/dbraw/zinc/71/43/62/570714362.db2.gz UHSGRCVVNICXNW-UHFFFAOYSA-N 1 0 389.521 2.292 50 0 GEAARO C[NH+]1CCC(N2CCN(C(=O)Cc3cccn3-c3ccc(F)cc3)CC2)CC1 ZINC000065170815 570719906 /nfs/dbraw/zinc/71/99/06/570719906.db2.gz GTEANIVTRPTPDX-UHFFFAOYSA-N 1 0 384.499 2.397 50 0 GEAARO C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)Cc1ccccc1 ZINC000004374000 570719830 /nfs/dbraw/zinc/71/98/30/570719830.db2.gz JMGILLYQNSQBTI-GOSISDBHSA-N 1 0 384.455 2.362 50 0 GEAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(CC)CC3)C2)nc2ccccc21 ZINC000249695365 570722689 /nfs/dbraw/zinc/72/26/89/570722689.db2.gz QVZYHWBOARCSJE-SFHVURJKSA-N 1 0 383.540 2.432 50 0 GEAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(N2CCOC2=O)c1 ZINC000058404259 570731136 /nfs/dbraw/zinc/73/11/36/570731136.db2.gz CILBHBVJZAPREN-QAPCUYQASA-N 1 0 388.468 2.266 50 0 GEAARO CCc1ccc([C@H](CNC(=O)c2sc(S(N)(=O)=O)cc2C)[NH+](C)C)cc1 ZINC000058441308 570733959 /nfs/dbraw/zinc/73/39/59/570733959.db2.gz FRAOCBFDRSCTAG-HNNXBMFYSA-N 1 0 395.550 2.299 50 0 GEAARO COCCn1cnnc1[C@@H](C)Nc1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065373258 570762159 /nfs/dbraw/zinc/76/21/59/570762159.db2.gz CXRVJYVMTYANIZ-LLVKDONJSA-N 1 0 375.502 2.220 50 0 GEAARO COc1cccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2=O)c1 ZINC000032755349 570797804 /nfs/dbraw/zinc/79/78/04/570797804.db2.gz RSUPSVVIUFFHBE-XLIONFOSSA-N 1 0 381.476 2.467 50 0 GEAARO C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)CS2 ZINC000036709272 570798588 /nfs/dbraw/zinc/79/85/88/570798588.db2.gz RVBTUBGCYKJPKA-KHYOSLBOSA-N 1 0 377.510 2.377 50 0 GEAARO O=C(C[NH+]1CCCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000007339515 570830632 /nfs/dbraw/zinc/83/06/32/570830632.db2.gz WGFOOLALWRSMMS-LICLKQGHSA-N 1 0 391.537 2.007 50 0 GEAARO CCn1cc(CC[NH+]2CCC(C(=O)N3CCN(CC)CC3)CC2)c2cccnc21 ZINC000065165010 570841744 /nfs/dbraw/zinc/84/17/44/570841744.db2.gz AGCJDKXWKZCHMR-UHFFFAOYSA-N 1 0 397.567 2.475 50 0 GEAARO O=C(NCCCC[NH+]1CCOCC1)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000170602149 570861654 /nfs/dbraw/zinc/86/16/54/570861654.db2.gz FHVIESBPAZYXLZ-UHFFFAOYSA-N 1 0 382.460 2.465 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000012612500 570890628 /nfs/dbraw/zinc/89/06/28/570890628.db2.gz KGGQNURCDQNGEV-UHFFFAOYSA-N 1 0 379.464 2.213 50 0 GEAARO CN(Cc1[nH]nc2c1CCC2)C(=O)NC1(CN2CCOCC2)CCCCC1 ZINC000534575318 570900579 /nfs/dbraw/zinc/90/05/79/570900579.db2.gz UCGJKMMEVHMJKW-UHFFFAOYSA-N 1 0 375.517 2.075 50 0 GEAARO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000046743046 570902210 /nfs/dbraw/zinc/90/22/10/570902210.db2.gz SCDPDXGFRFZEST-GOSISDBHSA-N 1 0 384.459 2.232 50 0 GEAARO O=C(NCC[NH+]1CCCCC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000004575685 570904052 /nfs/dbraw/zinc/90/40/52/570904052.db2.gz NNSQKMIZOZKSHP-SILNSSARSA-N 1 0 378.476 2.455 50 0 GEAARO Cc1ccccc1OC[C@H](C)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000534653750 570914781 /nfs/dbraw/zinc/91/47/81/570914781.db2.gz OSNKNVUYVZCZQF-IBGZPJMESA-N 1 0 388.556 2.431 50 0 GEAARO CC1(C)CC(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)CC(C)(C)[NH2+]1 ZINC000004045033 570924456 /nfs/dbraw/zinc/92/44/56/570924456.db2.gz SUOZLZDHIYWEDK-QFBILLFUSA-N 1 0 399.491 2.272 50 0 GEAARO CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916196 570927340 /nfs/dbraw/zinc/92/73/40/570927340.db2.gz YRQJWXWLIPAQKG-GOSISDBHSA-N 1 0 396.413 2.111 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000046945899 570937903 /nfs/dbraw/zinc/93/79/03/570937903.db2.gz AXWUYMGIKMADFC-JKSUJKDBSA-N 1 0 387.571 2.061 50 0 GEAARO NC(=O)c1ccc(NC(=O)CC[N@H+](CCO)Cc2cccc(Cl)c2)cc1 ZINC000252492242 570974295 /nfs/dbraw/zinc/97/42/95/570974295.db2.gz MGKMUBFEUXJTIX-UHFFFAOYSA-N 1 0 375.856 2.262 50 0 GEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000044902918 570982440 /nfs/dbraw/zinc/98/24/40/570982440.db2.gz VRPUHIIJSHORFG-GXTWGEPZSA-N 1 0 384.402 2.420 50 0 GEAARO Cc1nnc(-c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCCCC3)cc2)o1 ZINC000044922112 570984126 /nfs/dbraw/zinc/98/41/26/570984126.db2.gz KDSLTDQAGUPPPH-UHFFFAOYSA-N 1 0 385.468 2.364 50 0 GEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 ZINC000108240580 570985927 /nfs/dbraw/zinc/98/59/27/570985927.db2.gz JQCVSIYBRLFSLU-WBVHZDCISA-N 1 0 376.892 2.101 50 0 GEAARO Cc1cc(C)c(S(=O)(=O)N(CCC(C)C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974312 571007286 /nfs/dbraw/zinc/00/72/86/571007286.db2.gz BPEYKGYFKUOFQK-UHFFFAOYSA-N 1 0 395.569 2.080 50 0 GEAARO Nc1cc(N)[nH+]c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)n1 ZINC000031821336 642490959 /nfs/dbraw/zinc/49/09/59/642490959.db2.gz ZYQYFYHYQBKPJE-UHFFFAOYSA-N 1 0 377.430 2.176 50 0 GEAARO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000888101575 654066157 /nfs/dbraw/zinc/06/61/57/654066157.db2.gz JSVJIEATIOGVET-INIZCTEOSA-N 1 0 375.881 2.361 50 0 GEAARO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000155086886 231026809 /nfs/dbraw/zinc/02/68/09/231026809.db2.gz IXOJQYSKHCGBEX-YGRLFVJLSA-N 1 0 399.278 2.019 50 0 GEAARO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000019370673 210245476 /nfs/dbraw/zinc/24/54/76/210245476.db2.gz CNRPQODIMQQMKN-CQSZACIVSA-N 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210240432 /nfs/dbraw/zinc/24/04/32/210240432.db2.gz FSPOJXYKAYRODZ-OAHLLOKOSA-N 1 0 389.569 2.200 50 0 GEAARO CCOC(=O)c1nn(CC[NH+](C)C)c2c1CN(Cc1ccc3c(c1)CCO3)CC2 ZINC000019217920 210232024 /nfs/dbraw/zinc/23/20/24/210232024.db2.gz INDAGBAOSBLNOK-UHFFFAOYSA-N 1 0 398.507 2.115 50 0 GEAARO CCc1ccc2occ(CC(=O)N3CCC4(CC3)C(=O)NCCC[N@H+]4C)c2c1 ZINC000426358945 529732651 /nfs/dbraw/zinc/73/26/51/529732651.db2.gz GOISIBYZTAPRQB-UHFFFAOYSA-N 1 0 383.492 2.351 50 0 GEAARO CNC(=O)CCc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000426652097 529860243 /nfs/dbraw/zinc/86/02/43/529860243.db2.gz UTMUNWLJDLWCBA-IBGZPJMESA-N 1 0 388.512 2.130 50 0 GEAARO COc1ccc(CN2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2=O)cc1 ZINC000015942367 210180201 /nfs/dbraw/zinc/18/02/01/210180201.db2.gz MXRYHDITOLQRKW-MJGOQNOKSA-N 1 0 387.524 2.282 50 0 GEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779407 210169186 /nfs/dbraw/zinc/16/91/86/210169186.db2.gz CIENTLIKJFRXOB-UHFFFAOYSA-N 1 0 397.523 2.194 50 0 GEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000409413524 529949860 /nfs/dbraw/zinc/94/98/60/529949860.db2.gz BRIRRTZHECKNNX-YTQUADARSA-N 1 0 398.507 2.224 50 0 GEAARO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000015766488 210167806 /nfs/dbraw/zinc/16/78/06/210167806.db2.gz KUTOCIXKCKOKQE-UHFFFAOYSA-N 1 0 385.851 2.422 50 0 GEAARO O=C1CCSc2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2N1 ZINC000015728451 210164508 /nfs/dbraw/zinc/16/45/08/210164508.db2.gz KKIRFMAALOGAPW-UHFFFAOYSA-N 1 0 383.539 2.275 50 0 GEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000015679184 210162869 /nfs/dbraw/zinc/16/28/69/210162869.db2.gz VQCABHGOFVHDFL-INIZCTEOSA-N 1 0 387.436 2.187 50 0 GEAARO CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426477300 529974706 /nfs/dbraw/zinc/97/47/06/529974706.db2.gz YFPVAGOZXXQDFN-GOSISDBHSA-N 1 0 389.475 2.204 50 0 GEAARO O=C(Cn1cncn1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000015061830 210146044 /nfs/dbraw/zinc/14/60/44/210146044.db2.gz OZTNSZPODYXPRN-INIZCTEOSA-N 1 0 389.450 2.317 50 0 GEAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000015026786 210145415 /nfs/dbraw/zinc/14/54/15/210145415.db2.gz VWWZMECOUKSQIZ-AWEZNQCLSA-N 1 0 398.492 2.348 50 0 GEAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000015003029 210143904 /nfs/dbraw/zinc/14/39/04/210143904.db2.gz CNYFHNJFQWPZRF-FQEVSTJZSA-N 1 0 380.492 2.359 50 0 GEAARO CCC(CC)C[N@H+]1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1 ZINC000014988623 210140798 /nfs/dbraw/zinc/14/07/98/210140798.db2.gz UYDCYORNBLNJLP-UHFFFAOYSA-N 1 0 389.500 2.242 50 0 GEAARO Cc1nnc(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000014963123 210134072 /nfs/dbraw/zinc/13/40/72/210134072.db2.gz PRBBBBXLKFJPEM-UHFFFAOYSA-N 1 0 389.503 2.441 50 0 GEAARO Cc1ccc(C)c(C[NH+]2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)c1 ZINC000014956495 210133116 /nfs/dbraw/zinc/13/31/16/210133116.db2.gz YABWUURTBXHKOI-UHFFFAOYSA-N 1 0 383.496 2.204 50 0 GEAARO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000014951056 210130585 /nfs/dbraw/zinc/13/05/85/210130585.db2.gz QPKXLMJHKONUTF-UHFFFAOYSA-N 1 0 399.495 2.396 50 0 GEAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000014733061 210124656 /nfs/dbraw/zinc/12/46/56/210124656.db2.gz ZXICVVKBQGPXNR-MRXNPFEDSA-N 1 0 379.464 2.327 50 0 GEAARO Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H]([NH2+]Cc1nccs1)C2 ZINC000014541147 210121543 /nfs/dbraw/zinc/12/15/43/210121543.db2.gz HOTVKGOOMLJXAF-MRXNPFEDSA-N 1 0 395.532 2.496 50 0 GEAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2Cc1ccccc1 ZINC000014534086 210119620 /nfs/dbraw/zinc/11/96/20/210119620.db2.gz KZNSOFXVCHOXOJ-MRXNPFEDSA-N 1 0 387.480 2.257 50 0 GEAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013776917 210090211 /nfs/dbraw/zinc/09/02/11/210090211.db2.gz PQQYUPKHOQLBKC-BETUJISGSA-N 1 0 389.452 2.401 50 0 GEAARO O=C(NCCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013669716 210076735 /nfs/dbraw/zinc/07/67/35/210076735.db2.gz FPGBMDMBKQVFKZ-UHFFFAOYSA-N 1 0 399.944 2.340 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cn2)CC1 ZINC000012889920 210023254 /nfs/dbraw/zinc/02/32/54/210023254.db2.gz BSQPQLTWKZTWFH-UHFFFAOYSA-N 1 0 383.477 2.130 50 0 GEAARO CCC(CC)[C@H](CNC(=O)CCn1c2ccccc2oc1=O)[NH+]1CCOCC1 ZINC000012779552 210008032 /nfs/dbraw/zinc/00/80/32/210008032.db2.gz WYDPBHPATSEAME-SFHVURJKSA-N 1 0 389.496 2.238 50 0 GEAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000012458286 209961186 /nfs/dbraw/zinc/96/11/86/209961186.db2.gz JJFLYDQTZFNRJT-HXUWFJFHSA-N 1 0 380.529 2.149 50 0 GEAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCNC(=O)c1nonc1N ZINC000040744467 531662262 /nfs/dbraw/zinc/66/22/62/531662262.db2.gz QPQVUIDESYJDGX-UHFFFAOYSA-N 1 0 388.255 2.265 50 0 GEAARO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)c12 ZINC000007004675 209713996 /nfs/dbraw/zinc/71/39/96/209713996.db2.gz VYSUMTKUKNVPLM-INIZCTEOSA-N 1 0 386.500 2.135 50 0 GEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000237316599 532507350 /nfs/dbraw/zinc/50/73/50/532507350.db2.gz TVQUNPRIMUSJND-GFCCVEGCSA-N 1 0 391.331 2.386 50 0 GEAARO COCCC[NH2+]CCOCCOc1ccc(I)cc1 ZINC000002981168 209403666 /nfs/dbraw/zinc/40/36/66/209403666.db2.gz KLPNENFBBDFRJR-UHFFFAOYSA-N 1 0 379.238 2.313 50 0 GEAARO Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc[nH+]1 ZINC000253408505 209219389 /nfs/dbraw/zinc/21/93/89/209219389.db2.gz YAJMBKNZDYQLSP-UHFFFAOYSA-N 1 0 396.447 2.090 50 0 GEAARO C[N@@H+]1CCN(CCNC(=O)CCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000026155242 209184899 /nfs/dbraw/zinc/18/48/99/209184899.db2.gz IPCLKSWKNQOXSU-HXUWFJFHSA-N 1 0 395.503 2.453 50 0 GEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000121791102 212043756 /nfs/dbraw/zinc/04/37/56/212043756.db2.gz ZMDYJYAAAMTZEX-GWCFXTLKSA-N 1 0 389.315 2.195 50 0 GEAARO Cc1n[nH]c(Cc2ccc(NC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)cc2)n1 ZINC000299802242 212041040 /nfs/dbraw/zinc/04/10/40/212041040.db2.gz YHVBWHICUFIIBQ-ROUUACIJSA-N 1 0 384.484 2.079 50 0 GEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C1 ZINC000299778909 212035337 /nfs/dbraw/zinc/03/53/37/212035337.db2.gz RNOTVWTUCLGJIV-INIZCTEOSA-N 1 0 375.448 2.112 50 0 GEAARO COc1cc(C(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)c(Cl)cc1OC(C)C ZINC000299772018 212034548 /nfs/dbraw/zinc/03/45/48/212034548.db2.gz XUEHZHKVOFVNJV-CQSZACIVSA-N 1 0 381.904 2.208 50 0 GEAARO Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000299781941 212037020 /nfs/dbraw/zinc/03/70/20/212037020.db2.gz MAUOXDFEZMETFQ-UHFFFAOYSA-N 1 0 389.525 2.370 50 0 GEAARO C[NH+]1CCC(CNC(=O)c2ccc3[nH]c(CO)nc3c2)(c2ccccc2)CC1 ZINC000299784800 212036634 /nfs/dbraw/zinc/03/66/34/212036634.db2.gz HTOMQHUXKGMEIC-UHFFFAOYSA-N 1 0 378.476 2.449 50 0 GEAARO Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC000299783078 212036647 /nfs/dbraw/zinc/03/66/47/212036647.db2.gz XEUJMOSSQLRWAA-UHFFFAOYSA-N 1 0 398.532 2.362 50 0 GEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(-n2cnnn2)c1 ZINC000299770063 212035530 /nfs/dbraw/zinc/03/55/30/212035530.db2.gz ZCXQRKDYMIXAKL-KRWDZBQOSA-N 1 0 377.452 2.306 50 0 GEAARO OCC[NH2+]CCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000261491979 212029715 /nfs/dbraw/zinc/02/97/15/212029715.db2.gz NZKCVIKKLYWLLB-UHFFFAOYSA-N 1 0 383.471 2.194 50 0 GEAARO CCCn1nc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000261491769 212028893 /nfs/dbraw/zinc/02/88/93/212028893.db2.gz ILOBBWBYLBWXMU-UHFFFAOYSA-N 1 0 399.520 2.335 50 0 GEAARO COCCN(C)c1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccc3)CC2)cn1 ZINC000252490815 211984001 /nfs/dbraw/zinc/98/40/01/211984001.db2.gz LBXFWYYXLCWUIQ-FQEVSTJZSA-N 1 0 397.567 2.465 50 0 GEAARO COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008995217 211601922 /nfs/dbraw/zinc/60/19/22/211601922.db2.gz BFXYJHATFXQDDP-FRBQMAEBSA-N 1 0 395.459 2.149 50 0 GEAARO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000122311381 211476876 /nfs/dbraw/zinc/47/68/76/211476876.db2.gz AKZKBRHPPLKLBN-CQSZACIVSA-N 1 0 379.526 2.269 50 0 GEAARO Cc1oc2c(c1C(=O)NCCN1CCc3ccccc3C1)C1=NCCN1C=N2 ZINC000100696578 211389341 /nfs/dbraw/zinc/38/93/41/211389341.db2.gz ZRVPUFNRMMVDNJ-UHFFFAOYSA-N 1 0 377.448 2.112 50 0 GEAARO O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000097324071 211362900 /nfs/dbraw/zinc/36/29/00/211362900.db2.gz LSAVEEPDBPXDRV-SFHVURJKSA-N 1 0 380.448 2.402 50 0 GEAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000097022852 211353971 /nfs/dbraw/zinc/35/39/71/211353971.db2.gz AQDLCDFWPPEOOB-KRWDZBQOSA-N 1 0 380.851 2.180 50 0 GEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC000096163076 211314924 /nfs/dbraw/zinc/31/49/24/211314924.db2.gz DHAXEINCAMORAQ-GOSISDBHSA-N 1 0 378.538 2.149 50 0 GEAARO Cc1nccn1CCC[NH+]1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000096163709 211313147 /nfs/dbraw/zinc/31/31/47/211313147.db2.gz AWDANACQHJBEDG-UHFFFAOYSA-N 1 0 382.516 2.143 50 0 GEAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)C[N@@H+]1C1CCCC1 ZINC000096148477 211310594 /nfs/dbraw/zinc/31/05/94/211310594.db2.gz MPBMLZLZYQROTH-KSSFIOAISA-N 1 0 379.451 2.145 50 0 GEAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000096131134 211304109 /nfs/dbraw/zinc/30/41/09/211304109.db2.gz WKYQSRALCXUZQT-UHFFFAOYSA-N 1 0 388.479 2.383 50 0 GEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)C[N@@H+]1C1CCCC1 ZINC000096136036 211306863 /nfs/dbraw/zinc/30/68/63/211306863.db2.gz QCXJUDWFKORLCP-WBVHZDCISA-N 1 0 376.501 2.275 50 0 GEAARO COCCCC[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC(C)C)c2)CC1 ZINC000096137352 211306550 /nfs/dbraw/zinc/30/65/50/211306550.db2.gz VRQLAOQNXQCQNC-UHFFFAOYSA-N 1 0 376.501 2.401 50 0 GEAARO CN(CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)C(=O)c1cccs1 ZINC000095979854 211291447 /nfs/dbraw/zinc/29/14/47/211291447.db2.gz MUXKVSFUOVZOJK-UHFFFAOYSA-N 1 0 393.553 2.096 50 0 GEAARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000095959492 211287401 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CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000095498344 211251536 /nfs/dbraw/zinc/25/15/36/211251536.db2.gz VJLIHHKLXGTCJX-NRFANRHFSA-N 1 0 399.514 2.149 50 0 GEAARO COc1ccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000095496974 211251093 /nfs/dbraw/zinc/25/10/93/211251093.db2.gz FORNTSOSYANAOI-SFHVURJKSA-N 1 0 389.496 2.413 50 0 GEAARO C[C@H](CCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)[NH+]1CCN(C)CC1 ZINC000095512883 211262687 /nfs/dbraw/zinc/26/26/87/211262687.db2.gz ZBTCBRMVYPBNMS-QGZVFWFLSA-N 1 0 381.524 2.378 50 0 GEAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(N(C)C)nc1)CC2 ZINC000095511906 211262274 /nfs/dbraw/zinc/26/22/74/211262274.db2.gz VTZQRSJEDOEVQB-UHFFFAOYSA-N 1 0 383.544 2.271 50 0 GEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000095509124 211260809 /nfs/dbraw/zinc/26/08/09/211260809.db2.gz CUYQBUFTCAIHBP-UHFFFAOYSA-N 1 0 384.528 2.457 50 0 GEAARO O=C(c1cnc[nH]c1=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095503808 211255385 /nfs/dbraw/zinc/25/53/85/211255385.db2.gz PHMBNRLMVPKRHI-UHFFFAOYSA-N 1 0 395.507 2.462 50 0 GEAARO NC(=O)CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095502461 211254991 /nfs/dbraw/zinc/25/49/91/211254991.db2.gz ZNQMSLHMQFYRTA-UHFFFAOYSA-N 1 0 379.888 2.341 50 0 GEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000095500337 211253176 /nfs/dbraw/zinc/25/31/76/211253176.db2.gz BEGZWQJZMYJXGK-LJQANCHMSA-N 1 0 377.452 2.183 50 0 GEAARO Cc1cc(=O)n(CC(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)nc1C ZINC000095501526 211252759 /nfs/dbraw/zinc/25/27/59/211252759.db2.gz IIEHNMOSNOUQCY-UHFFFAOYSA-N 1 0 396.535 2.273 50 0 GEAARO Cc1c(Cl)c(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)nn1C ZINC000095390286 211237903 /nfs/dbraw/zinc/23/79/03/211237903.db2.gz GBNYIDGNCHKAQW-AWEZNQCLSA-N 1 0 378.908 2.160 50 0 GEAARO Cc1ocnc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388823 211237956 /nfs/dbraw/zinc/23/79/56/211237956.db2.gz IYGVALGCDWKCCC-CWFSZBLJSA-N 1 0 381.432 2.414 50 0 GEAARO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095462633 211244443 /nfs/dbraw/zinc/24/44/43/211244443.db2.gz CSBCNKPGEFHRLW-BLVKFPJESA-N 1 0 391.468 2.325 50 0 GEAARO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095462631 211244007 /nfs/dbraw/zinc/24/40/07/211244007.db2.gz CSBCNKPGEFHRLW-CWTRNNRKSA-N 1 0 391.468 2.325 50 0 GEAARO CN1CC[C@@]2(CN(C(=O)CCc3ccc(F)cc3F)CC[N@@H+]2C)CCC1=O ZINC000095358125 211223504 /nfs/dbraw/zinc/22/35/04/211223504.db2.gz KVQQLZDIIDZWLX-HXUWFJFHSA-N 1 0 379.451 2.053 50 0 GEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CN2CCCCC2=O)C3)cc1 ZINC000095357341 211223291 /nfs/dbraw/zinc/22/32/91/211223291.db2.gz ALWAGRKPHWSSIT-RBUKOAKNSA-N 1 0 385.508 2.131 50 0 GEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(OC)cc3)n[nH]1)C2 ZINC000095359265 211223149 /nfs/dbraw/zinc/22/31/49/211223149.db2.gz XZDHJAYWIGSNGX-NVXWUHKLSA-N 1 0 384.480 2.268 50 0 GEAARO O=C(NCc1nncn1C1CCCCC1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 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383.439 2.228 50 0 GEAARO Cn1ccc2c1cccc2C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000092107052 211217234 /nfs/dbraw/zinc/21/72/34/211217234.db2.gz DCYSIJLRGOMHBE-CTNGQTDRSA-N 1 0 398.551 2.481 50 0 GEAARO CC(C)N1CCC[C@@]2(CC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1=O ZINC000092028202 211215483 /nfs/dbraw/zinc/21/54/83/211215483.db2.gz ZRPMYWKVAKCMTF-NRFANRHFSA-N 1 0 375.488 2.207 50 0 GEAARO CC(C)N1CCC[C@]2(CC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1=O ZINC000092028201 211213991 /nfs/dbraw/zinc/21/39/91/211213991.db2.gz ZRPMYWKVAKCMTF-OAQYLSRUSA-N 1 0 375.488 2.207 50 0 GEAARO C[C@]([NH3+])(Cc1ccccc1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091987718 211213185 /nfs/dbraw/zinc/21/31/85/211213185.db2.gz ZVKMZDFHDWCJTQ-NRFANRHFSA-N 1 0 378.476 2.372 50 0 GEAARO Cc1c(Cl)cccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091665858 211203305 /nfs/dbraw/zinc/20/33/05/211203305.db2.gz SBVKLHAVTKRNEX-XLIONFOSSA-N 1 0 393.959 2.499 50 0 GEAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)o1 ZINC000091695730 211203154 /nfs/dbraw/zinc/20/31/54/211203154.db2.gz WLHHQCKBSYVXSZ-CQSZACIVSA-N 1 0 380.514 2.233 50 0 GEAARO Cc1nn(C)cc1C[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091650094 211200859 /nfs/dbraw/zinc/20/08/59/211200859.db2.gz WGMTZXUKIBBFHA-UHFFFAOYSA-N 1 0 384.528 2.220 50 0 GEAARO CC(C)(C)c1ccc(OCc2ncc(C(=O)N3CC[C@@H](C[NH3+])C3)c(=O)[nH]2)cc1 ZINC000091624921 211198480 /nfs/dbraw/zinc/19/84/80/211198480.db2.gz WLVJTUNSPXZZBM-AWEZNQCLSA-N 1 0 384.480 2.067 50 0 GEAARO CN1CCC[N@H+](C[C@H]2C[C@H](CO)CN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000091551217 211197330 /nfs/dbraw/zinc/19/73/30/211197330.db2.gz IGZXOIFGROROOM-CABCVRRESA-N 1 0 385.961 2.110 50 0 GEAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2CCCO)CC1 ZINC000091594956 211196801 /nfs/dbraw/zinc/19/68/01/211196801.db2.gz JJMGHUZIJFABPH-NQIIRXRSSA-N 1 0 384.524 2.019 50 0 GEAARO O=C(CSCC[NH+]1CCCC1)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091563464 211196570 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GEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCc3ccco3)C2=O)c1 ZINC000067673156 211014896 /nfs/dbraw/zinc/01/48/96/211014896.db2.gz VPCFQDKWAVHQDG-HXUWFJFHSA-N 1 0 376.428 2.113 50 0 GEAARO Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1N(C)S(C)(=O)=O ZINC000067621381 211013683 /nfs/dbraw/zinc/01/36/83/211013683.db2.gz VRVYYNWCVXAFRH-HOTGVXAUSA-N 1 0 395.569 2.489 50 0 GEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1csc(-c2cccs2)n1 ZINC000067515567 211011580 /nfs/dbraw/zinc/01/15/80/211011580.db2.gz KHPVJGSHINRAAC-YPMHNXCESA-N 1 0 378.523 2.282 50 0 GEAARO O=C([C@H]1CCCN(c2nnc3ccccn32)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065312223 210987230 /nfs/dbraw/zinc/98/72/30/210987230.db2.gz WPWGRUSMGYAFLU-SFHVURJKSA-N 1 0 396.539 2.423 50 0 GEAARO Cc1cccc(-c2ncc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)cn2)c1 ZINC000055325096 210886024 /nfs/dbraw/zinc/88/60/24/210886024.db2.gz OUAXYZWCKDKPEW-UHFFFAOYSA-N 1 0 382.489 2.432 50 0 GEAARO CC[NH+](CC)CCN1CCN(C(=O)c2csc(NC(=O)CC(C)C)n2)CC1 ZINC000040355317 210784433 /nfs/dbraw/zinc/78/44/33/210784433.db2.gz CNQUWVYRFWIDRW-UHFFFAOYSA-N 1 0 395.573 2.227 50 0 GEAARO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000032772662 210586994 /nfs/dbraw/zinc/58/69/94/210586994.db2.gz QYJVGOMYLVGPLR-AWEZNQCLSA-N 1 0 390.908 2.450 50 0 GEAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCC[NH+]1CCCC1 ZINC000021540206 210386262 /nfs/dbraw/zinc/38/62/62/210386262.db2.gz GPHHPOCJVCFOQM-UHFFFAOYSA-N 1 0 382.489 2.405 50 0 GEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020942637 210371093 /nfs/dbraw/zinc/37/10/93/210371093.db2.gz WFNWQXNFZIMNJP-MRXNPFEDSA-N 1 0 388.541 2.099 50 0 GEAARO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 ZINC000020608811 210352019 /nfs/dbraw/zinc/35/20/19/210352019.db2.gz ICCRNZGCFQYCTI-ZDUSSCGKSA-N 1 0 379.526 2.236 50 0 GEAARO CCC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 ZINC000020595122 210350759 /nfs/dbraw/zinc/35/07/59/210350759.db2.gz GKHXIUKKEZCSSP-UHFFFAOYSA-N 1 0 379.526 2.380 50 0 GEAARO C[N@H+](CC[C@H]1CCCCO1)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000020541336 210344947 /nfs/dbraw/zinc/34/49/47/210344947.db2.gz MTENSQVYFSNOFC-QGZVFWFLSA-N 1 0 386.496 2.198 50 0 GEAARO CN(CCCC[NH+]1CCOCC1)c1nc2nonc2nc1NCc1ccccc1 ZINC000020321716 210326932 /nfs/dbraw/zinc/32/69/32/210326932.db2.gz WUDABJICBCOWTJ-UHFFFAOYSA-N 1 0 397.483 2.174 50 0 GEAARO C[NH+](C)CCCN1CN=C2N[C@@H](c3ccco3)n3c4ccccc4nc3N2C1 ZINC000020101795 210316616 /nfs/dbraw/zinc/31/66/16/210316616.db2.gz YBIOSAOQFBFXQF-GOSISDBHSA-N 1 0 379.468 2.124 50 0 GEAARO COc1cccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@@H]2CCO)c1 ZINC000019837648 210301951 /nfs/dbraw/zinc/30/19/51/210301951.db2.gz KYTQTCLKMFIJGO-SFHVURJKSA-N 1 0 382.464 2.300 50 0 GEAARO O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019770987 210296233 /nfs/dbraw/zinc/29/62/33/210296233.db2.gz QLFFDCJFQDUGNE-RTWAWAEBSA-N 1 0 398.503 2.022 50 0 GEAARO Cc1c(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019721070 210289706 /nfs/dbraw/zinc/28/97/06/210289706.db2.gz RPNRJNXRSSYZDE-OAQYLSRUSA-N 1 0 398.551 2.153 50 0 GEAARO C[C@@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C)c1ccc2[nH]ccc2c1 ZINC000426647099 533117460 /nfs/dbraw/zinc/11/74/60/533117460.db2.gz MGBXKQWOOXLTPU-OAHLLOKOSA-N 1 0 383.496 2.225 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccs1 ZINC000042127464 132413409 /nfs/dbraw/zinc/41/34/09/132413409.db2.gz NAKBEULKPPZWAW-ZDUSSCGKSA-N 1 0 395.916 2.061 50 0 GEAARO CC1CC[NH+](CCNC(=O)c2nc(-c3ccc(N4CCOCC4)cc3)no2)CC1 ZINC000064746501 136157540 /nfs/dbraw/zinc/15/75/40/136157540.db2.gz HNIPFBWKNCIIKN-UHFFFAOYSA-N 1 0 399.495 2.035 50 0 GEAARO Cc1ccc(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000065363620 136163424 /nfs/dbraw/zinc/16/34/24/136163424.db2.gz GBTLVOUBJIYXRL-UHFFFAOYSA-N 1 0 396.495 2.284 50 0 GEAARO Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000065363095 136163580 /nfs/dbraw/zinc/16/35/80/136163580.db2.gz KVPHAGZARKTGPN-UHFFFAOYSA-N 1 0 381.480 2.113 50 0 GEAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nn1 ZINC000071762164 136166453 /nfs/dbraw/zinc/16/64/53/136166453.db2.gz ICTPEZUTVFMTCL-IBGZPJMESA-N 1 0 394.523 2.177 50 0 GEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCCCN1CCCc2ccccc21 ZINC000072431866 136170138 /nfs/dbraw/zinc/17/01/38/136170138.db2.gz HKIPEJQPPWVRBJ-UHFFFAOYSA-N 1 0 381.524 2.268 50 0 GEAARO COCCN(C)C[C@@H]1C[N@@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091663109 136176772 /nfs/dbraw/zinc/17/67/72/136176772.db2.gz ZGCVXSVPFAWSMI-QZTJIDSGSA-N 1 0 395.975 2.427 50 0 GEAARO CC(C)Nc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)nc(N)n1 ZINC000095507856 136180600 /nfs/dbraw/zinc/18/06/00/136180600.db2.gz PWXIBBXGKKWNEM-MRXNPFEDSA-N 1 0 386.548 2.411 50 0 GEAARO Cc1cc(N2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)nc(N)[nH+]1 ZINC000096167228 136184908 /nfs/dbraw/zinc/18/49/08/136184908.db2.gz QWLQDCOKKVXZDJ-UHFFFAOYSA-N 1 0 384.532 2.256 50 0 GEAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](CCO)C[C@@H]12 ZINC000025184312 136202855 /nfs/dbraw/zinc/20/28/55/136202855.db2.gz TWLQEMWQOREMFR-GGAORHGYSA-N 1 0 390.487 2.135 50 0 GEAARO Cc1cc(N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000426359977 533900243 /nfs/dbraw/zinc/90/02/43/533900243.db2.gz QVLSTKPVKQOAFN-RHSMWYFYSA-N 1 0 379.420 2.114 50 0 GEAARO Cc1cc2nc(CNC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH]c2cc1C ZINC000426685464 534132266 /nfs/dbraw/zinc/13/22/66/534132266.db2.gz VVNMZAUEGJVYMB-KRWDZBQOSA-N 1 0 385.512 2.434 50 0 GEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000426470531 534688648 /nfs/dbraw/zinc/68/86/48/534688648.db2.gz DZMUVQOCTCNFDQ-HXUWFJFHSA-N 1 0 383.540 2.460 50 0 GEAARO Cc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)nc(N)[nH+]1 ZINC000096149287 570214839 /nfs/dbraw/zinc/21/48/39/570214839.db2.gz DKBCHQWJZVYJTE-UHFFFAOYSA-N 1 0 382.516 2.273 50 0 GEAARO COc1cccc([C@H](O)C[NH2+]Cc2c(C(C)C)nn(C)c2N2CCOCC2)c1 ZINC000111393938 570215750 /nfs/dbraw/zinc/21/57/50/570215750.db2.gz XRQRCPMUGJAZSW-LJQANCHMSA-N 1 0 388.512 2.212 50 0 GEAARO O=C(NCCCC[NH+]1CCOCC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000048284374 570231196 /nfs/dbraw/zinc/23/11/96/570231196.db2.gz UCNDQSGWPLMZJZ-UHFFFAOYSA-N 1 0 388.508 2.498 50 0 GEAARO CCOC(=O)C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085878699 570263249 /nfs/dbraw/zinc/26/32/49/570263249.db2.gz AZUJXOXVFGRAJJ-FUHWJXTLSA-N 1 0 387.480 2.183 50 0 GEAARO Nc1nc(N2CC[NH+](C3CCCCC3)CC2)ncc1C(=O)NCc1ccccc1 ZINC000049401496 570263853 /nfs/dbraw/zinc/26/38/53/570263853.db2.gz GFTCNKZRECVPGZ-UHFFFAOYSA-N 1 0 394.523 2.444 50 0 GEAARO COc1cc(CN(C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011662748 570264962 /nfs/dbraw/zinc/26/49/62/570264962.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 1 0 376.501 2.130 50 0 GEAARO CN(C)C(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)o1 ZINC000584903011 570270565 /nfs/dbraw/zinc/27/05/65/570270565.db2.gz JFXKQBUDOICUOG-UHFFFAOYSA-N 1 0 378.498 2.316 50 0 GEAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000049638887 570271165 /nfs/dbraw/zinc/27/11/65/570271165.db2.gz NPVGNYPQZCUENW-RQXXJAGISA-N 1 0 391.402 2.257 50 0 GEAARO CN(CCCOc1ccc(Cl)cc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000215229725 570286331 /nfs/dbraw/zinc/28/63/31/570286331.db2.gz KEGPQHRNEUBDAH-OAHLLOKOSA-N 1 0 391.903 2.472 50 0 GEAARO O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012911937 570291132 /nfs/dbraw/zinc/29/11/32/570291132.db2.gz FFVJFRLBLPLCFV-GOSISDBHSA-N 1 0 398.507 2.022 50 0 GEAARO CSCc1nc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cs1 ZINC000216383538 570300558 /nfs/dbraw/zinc/30/05/58/570300558.db2.gz HIKGHGIPNQCXEN-GFCCVEGCSA-N 1 0 380.543 2.060 50 0 GEAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000016041955 570313553 /nfs/dbraw/zinc/31/35/53/570313553.db2.gz KWFWMNPYWUETQJ-AYMMHLMVSA-N 1 0 375.428 2.268 50 0 GEAARO COc1ccc(N2C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2=O)cc1Cl ZINC000012322324 570314280 /nfs/dbraw/zinc/31/42/80/570314280.db2.gz GEDFLUMURDTEMH-CYBMUJFWSA-N 1 0 381.904 2.406 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)CCNC(=O)NCc1ccccc1)c1cccc(F)c1 ZINC000022682910 570324603 /nfs/dbraw/zinc/32/46/03/570324603.db2.gz HKBRDWRKYMDSGP-LJQANCHMSA-N 1 0 386.471 2.434 50 0 GEAARO Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000567584471 570325119 /nfs/dbraw/zinc/32/51/19/570325119.db2.gz SKOVNYRPBKPGCS-HXUWFJFHSA-N 1 0 393.491 2.087 50 0 GEAARO COc1ccc(Br)c(C(=O)N2CC(N3CCC(OC)CC3)C2)c1 ZINC000575605623 570329008 /nfs/dbraw/zinc/32/90/08/570329008.db2.gz LUNCBGRMQSTBHQ-UHFFFAOYSA-N 1 0 383.286 2.393 50 0 GEAARO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000023762102 570332694 /nfs/dbraw/zinc/33/26/94/570332694.db2.gz OAMFFRCSOLQVEF-UHFFFAOYSA-N 1 0 392.459 2.014 50 0 GEAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000007728863 570341009 /nfs/dbraw/zinc/34/10/09/570341009.db2.gz UCNRBUYAGSLQHS-UHFFFAOYSA-N 1 0 379.526 2.214 50 0 GEAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3ccnn3C)nc21 ZINC000011695049 570343242 /nfs/dbraw/zinc/34/32/42/570343242.db2.gz APQQPFDKTSKILT-UHFFFAOYSA-N 1 0 389.481 2.255 50 0 GEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974059 570344638 /nfs/dbraw/zinc/34/46/38/570344638.db2.gz JCGAFRLQTXGZBI-FQEVSTJZSA-N 1 0 380.496 2.274 50 0 GEAARO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3c[nH]c4ccccc34)cn2)CC1 ZINC000023143495 570346604 /nfs/dbraw/zinc/34/66/04/570346604.db2.gz CCADYDSYLQXYIX-UHFFFAOYSA-N 1 0 392.507 2.357 50 0 GEAARO C[NH+]1CCC(OCCCNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000584903712 570350264 /nfs/dbraw/zinc/35/02/64/570350264.db2.gz AZJDVAHIKXYYEO-LJQANCHMSA-N 1 0 379.476 2.410 50 0 GEAARO Cc1nc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)cc(C(F)(F)F)n1 ZINC000575615081 570352696 /nfs/dbraw/zinc/35/26/96/570352696.db2.gz BPCQMNDVQBTTMA-CYBMUJFWSA-N 1 0 385.434 2.231 50 0 GEAARO NC(=O)[C@@H]1CC=CC[C@@H]1[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000023399342 570360855 /nfs/dbraw/zinc/36/08/55/570360855.db2.gz VANCGXMWAUWGCU-UXHICEINSA-N 1 0 382.508 2.192 50 0 GEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004916249 570365066 /nfs/dbraw/zinc/36/50/66/570365066.db2.gz GSEJRLONHDOKCE-INIZCTEOSA-N 1 0 395.507 2.269 50 0 GEAARO Cn1c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1=O ZINC000023742404 570371233 /nfs/dbraw/zinc/37/12/33/570371233.db2.gz DOJPWVSLPSLOQX-FQEVSTJZSA-N 1 0 378.476 2.293 50 0 GEAARO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000237892491 570409901 /nfs/dbraw/zinc/40/99/01/570409901.db2.gz ZCSZDVDTZTXPHT-LRDDRELGSA-N 1 0 385.917 2.127 50 0 GEAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695262 570418317 /nfs/dbraw/zinc/41/83/17/570418317.db2.gz DOHJXNLIPUQWJL-KSSFIOAISA-N 1 0 391.489 2.383 50 0 GEAARO CCOC(=O)c1ccc(N2CC[NH+](CCC(=O)NC3CCCCC3)CC2)nc1 ZINC000026140299 570423094 /nfs/dbraw/zinc/42/30/94/570423094.db2.gz NCASGSLTJLWNPJ-UHFFFAOYSA-N 1 0 388.512 2.219 50 0 GEAARO Cc1nn(CC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149303 570427919 /nfs/dbraw/zinc/42/79/19/570427919.db2.gz JKIBXNFVZCTWEP-GJZGRUSLSA-N 1 0 399.495 2.320 50 0 GEAARO Cc1nccn1-c1ccc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cc1 ZINC000244594124 570435814 /nfs/dbraw/zinc/43/58/14/570435814.db2.gz DGTQTZICCZYMCQ-MAEOIBBWSA-N 1 0 379.468 2.145 50 0 GEAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(OCCO)cc2Br)CC1 ZINC000042209326 570438760 /nfs/dbraw/zinc/43/87/60/570438760.db2.gz CYZVMDHWUYLBMW-UHFFFAOYSA-N 1 0 397.313 2.311 50 0 GEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042379434 570465948 /nfs/dbraw/zinc/46/59/48/570465948.db2.gz ZLQAVHMSOWLHJS-ROUUACIJSA-N 1 0 388.512 2.461 50 0 GEAARO COCCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870001 570468425 /nfs/dbraw/zinc/46/84/25/570468425.db2.gz KLFBHFWBZIQOIC-IFMALSPDSA-N 1 0 397.494 2.451 50 0 GEAARO CCCCC(=O)N1CCN(c2nc(CN(C)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926475 570479608 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0 GEAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022765409 570543283 /nfs/dbraw/zinc/54/32/83/570543283.db2.gz DTVAYRPHDRMAAT-IBGZPJMESA-N 1 0 389.521 2.484 50 0 GEAARO CC[C@@H](C(=O)NCC[NH+]1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787519 570544379 /nfs/dbraw/zinc/54/43/79/570544379.db2.gz QBTRUHLUAWGOSE-KRWDZBQOSA-N 1 0 381.480 2.051 50 0 GEAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794083 570547851 /nfs/dbraw/zinc/54/78/51/570547851.db2.gz TZKJKYLKRRBDHX-QFIPXVFZSA-N 1 0 397.519 2.351 50 0 GEAARO CC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000422144776 570548737 /nfs/dbraw/zinc/54/87/37/570548737.db2.gz RNABPGZAJZEOSY-SFHVURJKSA-N 1 0 378.904 2.224 50 0 GEAARO O=C(CCN(CCc1ccccc1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000035421671 570552704 /nfs/dbraw/zinc/55/27/04/570552704.db2.gz LRSWOLMDXZZXQL-UHFFFAOYSA-N 1 0 383.467 2.333 50 0 GEAARO COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)c1 ZINC000035421632 570552840 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50 0 GEAARO C[N@H+](Cc1ccccc1)C1(C(=O)NC[C@@H]2COCCO2)Cc2ccccc2C1 ZINC000039362207 570590231 /nfs/dbraw/zinc/59/02/31/570590231.db2.gz DSLUWENJVIXNKC-OAQYLSRUSA-N 1 0 380.488 2.188 50 0 GEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21 ZINC000006797598 570597717 /nfs/dbraw/zinc/59/77/17/570597717.db2.gz VJAXVIQYHTWKRX-QGZVFWFLSA-N 1 0 395.507 2.420 50 0 GEAARO CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)n1nc(C)n2c3ccoc3cc2c1=O ZINC000006807501 570608670 /nfs/dbraw/zinc/60/86/70/570608670.db2.gz YWBFFCPLXBDBOQ-HOCLYGCPSA-N 1 0 399.495 2.492 50 0 GEAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000042674491 570621764 /nfs/dbraw/zinc/62/17/64/570621764.db2.gz PHZYFPPMAPJEIO-UHFFFAOYSA-N 1 0 393.553 2.467 50 0 GEAARO O=C(c1scc2c1CCCC2)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 ZINC000012191439 570622142 /nfs/dbraw/zinc/62/21/42/570622142.db2.gz AXKFMSVYSFVSBL-UHFFFAOYSA-N 1 0 375.538 2.397 50 0 GEAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCNC(C)=O ZINC000012205416 570625923 /nfs/dbraw/zinc/62/59/23/570625923.db2.gz QJADIBKTADJDGV-UHFFFAOYSA-N 1 0 393.503 2.039 50 0 GEAARO CC(C)CC[N@H+]1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000012280573 570632379 /nfs/dbraw/zinc/63/23/79/570632379.db2.gz LBDZWEDVBCFFJI-KRWDZBQOSA-N 1 0 385.512 2.439 50 0 GEAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C[C@H]1COCCO1 ZINC000012302690 570637250 /nfs/dbraw/zinc/63/72/50/570637250.db2.gz FOYQVZWRPFAIDF-SFHVURJKSA-N 1 0 394.475 2.112 50 0 GEAARO COc1ccc(Cc2nnc(NC(=O)N[C@@H]3CCC[NH2+]C3)s2)cc1OC ZINC000048306488 570657491 /nfs/dbraw/zinc/65/74/91/570657491.db2.gz GSTIPSDFRAJKIA-GFCCVEGCSA-N 1 0 377.470 2.020 50 0 GEAARO C[NH+](C)[C@H]1CCN(c2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cn2)C1 ZINC000012430407 570659181 /nfs/dbraw/zinc/65/91/81/570659181.db2.gz IPDYGTGDUCNTRV-FQEVSTJZSA-N 1 0 396.539 2.361 50 0 GEAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN(C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433614 570661293 /nfs/dbraw/zinc/66/12/93/570661293.db2.gz STXGXRMDDJZQIU-IBGZPJMESA-N 1 0 390.528 2.440 50 0 GEAARO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH]c(=O)n1 ZINC000012571482 570680899 /nfs/dbraw/zinc/68/08/99/570680899.db2.gz GAUJEOFEYVENIC-GOSISDBHSA-N 1 0 394.519 2.330 50 0 GEAARO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012578070 570682719 /nfs/dbraw/zinc/68/27/19/570682719.db2.gz WMQYFTHZAIXXAQ-SFHVURJKSA-N 1 0 391.471 2.343 50 0 GEAARO Cc1cncn1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000239636946 570684070 /nfs/dbraw/zinc/68/40/70/570684070.db2.gz BHRUEDLZEXYIDH-UHFFFAOYSA-N 1 0 377.466 2.379 50 0 GEAARO COc1cccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1OCC[NH+](C)C ZINC000055153202 570684390 /nfs/dbraw/zinc/68/43/90/570684390.db2.gz KSUMCUXTMIBXBP-LJQANCHMSA-N 1 0 383.492 2.048 50 0 GEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1cnc2ccccn12 ZINC000055133455 570684735 /nfs/dbraw/zinc/68/47/35/570684735.db2.gz OHFXDXZMLYWCNB-OAQYLSRUSA-N 1 0 382.439 2.117 50 0 GEAARO COc1cc(C[NH2+]Cc2ccsc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012587142 570685432 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GEAARO COc1ccc(C[NH2+]CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000058158140 570711677 /nfs/dbraw/zinc/71/16/77/570711677.db2.gz OTNFCWQCWFUXKN-UHFFFAOYSA-N 1 0 380.448 2.221 50 0 GEAARO CC(C)[NH+]1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CC4)cn3)cc2)CC1 ZINC000065213160 570733428 /nfs/dbraw/zinc/73/34/28/570733428.db2.gz WGGQFICSKBFDPH-UHFFFAOYSA-N 1 0 395.507 2.065 50 0 GEAARO CCOC(=O)C1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441180 570734160 /nfs/dbraw/zinc/73/41/60/570734160.db2.gz WBTFWQUUBCFYDB-FXAWDEMLSA-N 1 0 387.524 2.041 50 0 GEAARO CCc1c(C)nn(C)c1NC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000065375545 570762514 /nfs/dbraw/zinc/76/25/14/570762514.db2.gz OKMNBZIXBWTRNK-KRWDZBQOSA-N 1 0 383.496 2.241 50 0 GEAARO Cc1cc(C)nc(Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)n1 ZINC000065451687 570769221 /nfs/dbraw/zinc/76/92/21/570769221.db2.gz KCGZRMBDYMCWSR-UHFFFAOYSA-N 1 0 378.480 2.031 50 0 GEAARO O=C(NCc1csc(-c2cccs2)n1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065470168 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C[N@@H+]1CCN(C(=O)NC2CCCCC2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091871914 211210375 /nfs/dbraw/zinc/21/03/75/211210375.db2.gz JQWBQCZUYUDZMD-NRFANRHFSA-N 1 0 376.545 2.437 50 0 GEAARO C[N@@H+]1CCN(C(=O)NC2CCCCC2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000091871916 211209616 /nfs/dbraw/zinc/20/96/16/211209616.db2.gz JQWBQCZUYUDZMD-OAQYLSRUSA-N 1 0 376.545 2.437 50 0 GEAARO CC1(C)CN(C(=O)c2cccc3cnccc32)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091818422 211208879 /nfs/dbraw/zinc/20/88/79/211208879.db2.gz PDTNCPJYOOAHTF-QFIPXVFZSA-N 1 0 383.492 2.170 50 0 GEAARO Cc1cc2c(ncnc2N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091952005 211212656 /nfs/dbraw/zinc/21/26/56/211212656.db2.gz QZYATYKQXMTUHY-OCVGTWLNSA-N 1 0 376.526 2.154 50 0 GEAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091655801 211200422 /nfs/dbraw/zinc/20/04/22/211200422.db2.gz XRVGWAYLYASVLD-GCJKJVERSA-N 1 0 396.535 2.085 50 0 GEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)NCCc1ccc(F)cc1 ZINC000091616429 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2.364 50 0 GEAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)CC1 ZINC000096387255 535099271 /nfs/dbraw/zinc/09/92/71/535099271.db2.gz QBAGKXIKAAYEET-KRWDZBQOSA-N 1 0 382.512 2.041 50 0 GEAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000048711246 570253661 /nfs/dbraw/zinc/25/36/61/570253661.db2.gz FUBIKJONYHMVJZ-UHFFFAOYSA-N 1 0 393.447 2.327 50 0 GEAARO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890457 570275297 /nfs/dbraw/zinc/27/52/97/570275297.db2.gz FIHWJQGVHUTVLF-UHFFFAOYSA-N 1 0 395.507 2.349 50 0 GEAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000102089268 570287065 /nfs/dbraw/zinc/28/70/65/570287065.db2.gz PHDILHYEXODVJF-DZFIZOCASA-N 1 0 387.911 2.147 50 0 GEAARO Cc1cnc(CNC(=O)[C@H]2[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)cn1 ZINC000102720075 570291492 /nfs/dbraw/zinc/29/14/92/570291492.db2.gz FUXSIRHOKLLXCM-YNJGCUIUSA-N 1 0 378.476 2.103 50 0 GEAARO CC(C)[NH+](CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(C)C ZINC000022622984 570323969 /nfs/dbraw/zinc/32/39/69/570323969.db2.gz KGQIPYGLWVDRQP-INIZCTEOSA-N 1 0 389.496 2.046 50 0 GEAARO COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCCC3)nc2)cc1 ZINC000053508421 570324521 /nfs/dbraw/zinc/32/45/21/570324521.db2.gz XVGOKNCFKFRFKP-UHFFFAOYSA-N 1 0 382.464 2.127 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(F)c1 ZINC000022683055 570324569 /nfs/dbraw/zinc/32/45/69/570324569.db2.gz BJQXSZWBBQAYPU-MRXNPFEDSA-N 1 0 388.468 2.406 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(F)c1 ZINC000022683051 570324613 /nfs/dbraw/zinc/32/46/13/570324613.db2.gz BJQXSZWBBQAYPU-INIZCTEOSA-N 1 0 388.468 2.406 50 0 GEAARO Cc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)nnn1C1CC[NH2+]CC1 ZINC000237193787 570332984 /nfs/dbraw/zinc/33/29/84/570332984.db2.gz XSIHKDWDFKQALS-UHFFFAOYSA-N 1 0 388.419 2.259 50 0 GEAARO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000237200393 570334436 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CTOFUPWHCNPKLV-UHFFFAOYSA-N 1 0 378.904 2.084 50 0 GEAARO Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)nnn1C1CC[NH2+]CC1 ZINC000237748311 570393651 /nfs/dbraw/zinc/39/36/51/570393651.db2.gz YDKQRUOHRUWAEB-UHFFFAOYSA-N 1 0 388.903 2.127 50 0 GEAARO O[C@H](C[NH+]1CCC(O)CC1)CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005127275 570421985 /nfs/dbraw/zinc/42/19/85/570421985.db2.gz SCHHIRRGUHQLIR-FQEVSTJZSA-N 1 0 377.431 2.408 50 0 GEAARO CC1(C)c2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)ccc2NC1=O ZINC000121910554 570445949 /nfs/dbraw/zinc/44/59/49/570445949.db2.gz XCAJXTVJVHJEHQ-OAHLLOKOSA-N 1 0 391.537 2.413 50 0 GEAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000006504108 570459705 /nfs/dbraw/zinc/45/97/05/570459705.db2.gz ZXZVNLHYBSEJJL-CROMWVBPSA-N 1 0 387.439 2.426 50 0 GEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000011035684 570465477 /nfs/dbraw/zinc/46/54/77/570465477.db2.gz PKCAYSBVBNFEDA-GOSISDBHSA-N 1 0 387.403 2.294 50 0 GEAARO COCC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC000252479888 570474730 /nfs/dbraw/zinc/47/47/30/570474730.db2.gz BORUZRFIYCXSQM-MRXNPFEDSA-N 1 0 378.492 2.157 50 0 GEAARO Cc1csc(N2CCCN(CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)n1 ZINC000252679558 570480776 /nfs/dbraw/zinc/48/07/76/570480776.db2.gz OESCPNUXBXZCRM-SJORKVTESA-N 1 0 378.542 2.134 50 0 GEAARO CC[C@@H](CNC(=O)c1ccccc1OCC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000029912566 570482521 /nfs/dbraw/zinc/48/25/21/570482521.db2.gz BNLRWAMTFQOIEU-SFHVURJKSA-N 1 0 381.476 2.117 50 0 GEAARO COc1ccc(CC[NH2+]C[C@H](O)COCc2ccc(OC)c(OC)c2)cc1 ZINC000006590293 570486934 /nfs/dbraw/zinc/48/69/34/570486934.db2.gz APWZAQJVPJBEIN-SFHVURJKSA-N 1 0 375.465 2.422 50 0 GEAARO C[NH+](C)CCNC(=O)Cn1cnc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000061719285 570502132 /nfs/dbraw/zinc/50/21/32/570502132.db2.gz XSCDEGDQFSRBHU-UHFFFAOYSA-N 1 0 393.491 2.285 50 0 GEAARO Cc1ccc(C)c(-c2cc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C(C)C)no2)c1 ZINC000036016250 570511236 /nfs/dbraw/zinc/51/12/36/570511236.db2.gz KCGVWFFTQZUNGU-IBGZPJMESA-N 1 0 386.496 2.391 50 0 GEAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)no2)cc1 ZINC000032594046 570512048 /nfs/dbraw/zinc/51/20/48/570512048.db2.gz DULOJSIYGHVJFM-INIZCTEOSA-N 1 0 386.496 2.496 50 0 GEAARO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000007924064 570520167 /nfs/dbraw/zinc/52/01/67/570520167.db2.gz RGAUMBOGDPWADJ-UHFFFAOYSA-N 1 0 393.553 2.385 50 0 GEAARO COC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530954 /nfs/dbraw/zinc/53/09/54/570530954.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 1 0 387.480 2.454 50 0 GEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776014 570543117 /nfs/dbraw/zinc/54/31/17/570543117.db2.gz KQICRLZLPFESGQ-HUUCEWRRSA-N 1 0 381.480 2.050 50 0 GEAARO COc1ccc([C@H](CNC(=O)c2ccccc2OC)N2CC[NH+](C)CC2)cc1 ZINC000022794269 570547831 /nfs/dbraw/zinc/54/78/31/570547831.db2.gz YUMXKBZCZFAOQB-FQEVSTJZSA-N 1 0 383.492 2.422 50 0 GEAARO COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794298 570547898 /nfs/dbraw/zinc/54/78/98/570547898.db2.gz BMEFUWPMVPXUKE-OAQYLSRUSA-N 1 0 383.492 2.422 50 0 GEAARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795106 570548457 /nfs/dbraw/zinc/54/84/57/570548457.db2.gz VAJWCZOEATXPMX-HXUWFJFHSA-N 1 0 391.512 2.401 50 0 GEAARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796035 570548879 /nfs/dbraw/zinc/54/88/79/570548879.db2.gz RWELFBXDCUOHCP-HXUWFJFHSA-N 1 0 398.482 2.178 50 0 GEAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3cc(F)cc(F)c3)n2)CC1 ZINC000040355902 570566798 /nfs/dbraw/zinc/56/67/98/570566798.db2.gz SQTFVXAUAMEAGN-UHFFFAOYSA-N 1 0 380.420 2.451 50 0 GEAARO COc1ccc2c(cc(C(=O)N[C@H]3CCCN(C4CC[NH+](C)CC4)C3)n2C)c1 ZINC000011665055 570578841 /nfs/dbraw/zinc/57/88/41/570578841.db2.gz JMVVAMBFEUEOIK-KRWDZBQOSA-N 1 0 384.524 2.475 50 0 GEAARO Cc1ccc(OC2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000011818432 570584921 /nfs/dbraw/zinc/58/49/21/570584921.db2.gz CHUASYYKNWBPOE-OAQYLSRUSA-N 1 0 399.535 2.498 50 0 GEAARO Cc1ccc(OC2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000011818431 570585031 /nfs/dbraw/zinc/58/50/31/570585031.db2.gz CHUASYYKNWBPOE-NRFANRHFSA-N 1 0 399.535 2.498 50 0 GEAARO CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011843414 570587757 /nfs/dbraw/zinc/58/77/57/570587757.db2.gz QQUXBJRAMSJFFQ-UHFFFAOYSA-N 1 0 395.467 2.086 50 0 GEAARO C[N@H+](Cc1ccccc1)C1(C(=O)N[C@H]2CCCCNC2=O)Cc2ccccc2C1 ZINC000039479245 570592461 /nfs/dbraw/zinc/59/24/61/570592461.db2.gz JSVJWGGQEDXGKX-NRFANRHFSA-N 1 0 391.515 2.441 50 0 GEAARO CC(=O)Nc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000011977329 570596651 /nfs/dbraw/zinc/59/66/51/570596651.db2.gz URKDKTVJKHCRKM-OAHLLOKOSA-N 1 0 398.511 2.128 50 0 GEAARO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C[N@@H+]1C1CC1 ZINC000151903788 570618955 /nfs/dbraw/zinc/61/89/55/570618955.db2.gz 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ZINC000192939555 645232593 /nfs/dbraw/zinc/23/25/93/645232593.db2.gz CKNWBLFZWNEGLW-HNNXBMFYSA-N 1 0 381.523 2.294 50 0 GEAARO Cc1csc(N2CCC([NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)CC2)n1 ZINC000367538918 647736878 /nfs/dbraw/zinc/73/68/78/647736878.db2.gz UQCZCURIEGQQPJ-CQSZACIVSA-N 1 0 378.464 2.273 50 0 GEAARO COC[C@@](C)([NH3+])CNc1ncnc2c1cnn2-c1cccc(Br)c1 ZINC000864235196 653730270 /nfs/dbraw/zinc/73/02/70/653730270.db2.gz LEZYTJURLUBKML-INIZCTEOSA-N 1 0 391.273 2.354 50 0 GEAARO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000888101959 654066108 /nfs/dbraw/zinc/06/61/08/654066108.db2.gz RLWDOTPZMRLMIF-OCCSQVGLSA-N 1 0 396.264 2.365 50 0 GEAARO O=C(CCC[NH+]1CCCCC1)NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000952980129 654939847 /nfs/dbraw/zinc/93/98/47/654939847.db2.gz WFOKIGRJJVVZST-UHFFFAOYSA-N 1 0 387.933 2.001 50 0 GEAARO Cn1cnnc1SCC(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000952982485 654939869 /nfs/dbraw/zinc/93/98/69/654939869.db2.gz MGKGCBMCHVFYAJ-UHFFFAOYSA-N 1 0 379.917 2.341 50 0 GEAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](CCCOCc3ccccc3)C[C@@H]2C1 ZINC000095374390 230981638 /nfs/dbraw/zinc/98/16/38/230981638.db2.gz HBGGMSHCGOYYDS-TZIWHRDSSA-N 1 0 375.513 2.034 50 0 GEAARO Cc1nnc(SCCCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)s1 ZINC000095385144 230985515 /nfs/dbraw/zinc/98/55/15/230985515.db2.gz IMHFDPXDFXDMPE-CQSZACIVSA-N 1 0 384.571 2.336 50 0 GEAARO Cc1nccn1-c1ccccc1CNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000426479127 231226540 /nfs/dbraw/zinc/22/65/40/231226540.db2.gz SBIQATTXDZXDKP-MRXNPFEDSA-N 1 0 390.509 2.147 50 0 GEAARO O=C(NCCCCC[NH+]1CCOCC1)N1CCC(O)(c2ccccc2)CC1 ZINC000426606771 231246075 /nfs/dbraw/zinc/24/60/75/231246075.db2.gz QUTZRJCNKDLVTK-UHFFFAOYSA-N 1 0 375.513 2.182 50 0 GEAARO O=C(NCc1cnn(Cc2ccccc2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426739823 231256605 /nfs/dbraw/zinc/25/66/05/231256605.db2.gz RQOVYHCCFXACON-UHFFFAOYSA-N 1 0 382.508 2.439 50 0 GEAARO C[N@H+](CCO)C[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)C[C@@H]1CO ZINC000091656195 529920364 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GEAARO O=S(=O)(c1cccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1)N1CCOCC1 ZINC000014248101 221306866 /nfs/dbraw/zinc/30/68/66/221306866.db2.gz MGAZFWWJLPSSPI-IRXDYDNUSA-N 1 0 395.550 2.211 50 0 GEAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)s1 ZINC000014974464 221323560 /nfs/dbraw/zinc/32/35/60/221323560.db2.gz QSNDSUDWTKXOLF-AWEZNQCLSA-N 1 0 383.481 2.278 50 0 GEAARO COc1cccc2c1OCCCN(C(=O)c1cn(CC[NH+]3CCCCC3)nn1)C2 ZINC000014980986 221323102 /nfs/dbraw/zinc/32/31/02/221323102.db2.gz CVLJVMKMNGSLEG-UHFFFAOYSA-N 1 0 399.495 2.198 50 0 GEAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014539838 221312599 /nfs/dbraw/zinc/31/25/99/221312599.db2.gz SGYMQVWCRLSPLO-QGZVFWFLSA-N 1 0 388.512 2.168 50 0 GEAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cnn1C ZINC000014748139 221315282 /nfs/dbraw/zinc/31/52/82/221315282.db2.gz WZOKEDKRRCXOMX-UHFFFAOYSA-N 1 0 395.507 2.200 50 0 GEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCSC)C2 ZINC000014743338 221315513 /nfs/dbraw/zinc/31/55/13/221315513.db2.gz CQKHTDLLSMMCJR-CQSZACIVSA-N 1 0 382.599 2.292 50 0 GEAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750783 221315530 /nfs/dbraw/zinc/31/55/30/221315530.db2.gz GHAOCGMAYPBVOU-INIZCTEOSA-N 1 0 389.496 2.001 50 0 GEAARO Cc1cc(C(=O)NC[C@H](C)Oc2cccc(C[NH+]3CCSCC3)c2)n(C)n1 ZINC000014883006 221317813 /nfs/dbraw/zinc/31/78/13/221317813.db2.gz UDPNWVXDKRHTRG-INIZCTEOSA-N 1 0 388.537 2.475 50 0 GEAARO CCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000014993713 221324579 /nfs/dbraw/zinc/32/45/79/221324579.db2.gz ZZXOPOHRBXZGTR-UHFFFAOYSA-N 1 0 390.491 2.224 50 0 GEAARO C[N@H+](CCCc1ccccc1)CCn1cc(C(=O)NCc2ccncc2)nn1 ZINC000014995646 221324798 /nfs/dbraw/zinc/32/47/98/221324798.db2.gz OSORVIRHIQJQLL-UHFFFAOYSA-N 1 0 378.480 2.168 50 0 GEAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000016042708 221355908 /nfs/dbraw/zinc/35/59/08/221355908.db2.gz XPYROPXNWRZYFO-KXDDBMSCSA-N 1 0 381.819 2.285 50 0 GEAARO COc1c(F)cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)cc1F ZINC000426444911 533427908 /nfs/dbraw/zinc/42/79/08/533427908.db2.gz JOJSFBIKHYJANL-ROUUACIJSA-N 1 0 376.403 2.387 50 0 GEAARO COc1cccc(OC[C@@H](O)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000426740440 533665914 /nfs/dbraw/zinc/66/59/14/533665914.db2.gz JEKXOJFLALAKQE-HNNXBMFYSA-N 1 0 379.501 2.043 50 0 GEAARO COC(=O)c1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000058170327 136154827 /nfs/dbraw/zinc/15/48/27/136154827.db2.gz VPHDTZMYCNIADT-MRXNPFEDSA-N 1 0 397.475 2.427 50 0 GEAARO O=C(c1ccc[nH]c1=S)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058245772 136155087 /nfs/dbraw/zinc/15/50/87/136155087.db2.gz UJBMLFVOWLAWCP-QGZVFWFLSA-N 1 0 397.548 2.440 50 0 GEAARO Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1C ZINC000065365130 136163672 /nfs/dbraw/zinc/16/36/72/136163672.db2.gz VYIOCZNYSGSEPQ-UHFFFAOYSA-N 1 0 384.484 2.472 50 0 GEAARO Cc1nccc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 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CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(-n4cncn4)cc3)cnn2c1 ZINC000067855704 222162564 /nfs/dbraw/zinc/16/25/64/222162564.db2.gz UUEXJVZRCPVDOW-UHFFFAOYSA-N 1 0 390.451 2.404 50 0 GEAARO COc1cc(-c2cccs2)cc2c1OCCN(C(=O)c1cn(CC[NH3+])nn1)C2 ZINC000067855293 222163155 /nfs/dbraw/zinc/16/31/55/222163155.db2.gz GCRGAECEEOCJBH-UHFFFAOYSA-N 1 0 399.476 2.009 50 0 GEAARO Cc1ccccc1N1CCN(c2ncccc2C[NH2+][C@H](C)Cn2cncn2)CC1 ZINC000067872242 222164563 /nfs/dbraw/zinc/16/45/63/222164563.db2.gz QMLWZLJPQMFRMD-LJQANCHMSA-N 1 0 391.523 2.486 50 0 GEAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)no1 ZINC000071752557 222191552 /nfs/dbraw/zinc/19/15/52/222191552.db2.gz JXCLNBAIFBTOSB-IBGZPJMESA-N 1 0 397.523 2.371 50 0 GEAARO CCCn1cc(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)C)CC3)C2)c(C)n1 ZINC000067880771 222164965 /nfs/dbraw/zinc/16/49/65/222164965.db2.gz XNVFKINQVPEQIR-UHFFFAOYSA-N 1 0 375.561 2.366 50 0 GEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000067895095 222165007 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CC(C)C(=O)Nc1cc(NC(=O)NCCCN2CC[NH+](C)CC2)ccc1F ZINC000096136361 222385726 /nfs/dbraw/zinc/38/57/26/222385726.db2.gz NKNYBNBSMSUAQB-UHFFFAOYSA-N 1 0 379.480 2.179 50 0 GEAARO C[NH+]1CCC(Cc2nc(Cn3ccccc3=O)n(Cc3ccccc3)n2)CC1 ZINC000096141161 222388014 /nfs/dbraw/zinc/38/80/14/222388014.db2.gz PTOWDUSSSHTTRG-UHFFFAOYSA-N 1 0 377.492 2.421 50 0 GEAARO O=C([O-])[C@]12C[NH+](Cc3ccc(-c4ccccc4F)cc3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096148396 222389304 /nfs/dbraw/zinc/38/93/04/222389304.db2.gz IMAZCDMEDHBBSN-XMSQKQJNSA-N 1 0 384.451 2.303 50 0 GEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000096161243 222392928 /nfs/dbraw/zinc/39/29/28/222392928.db2.gz FZTCNLSMXKQDOB-LJQANCHMSA-N 1 0 390.491 2.466 50 0 GEAARO Cc1ccc(=O)n(CC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)n1 ZINC000096162363 222393162 /nfs/dbraw/zinc/39/31/62/222393162.db2.gz JYURSAXKCMLUHJ-HXUWFJFHSA-N 1 0 394.519 2.280 50 0 GEAARO Cc1c(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)cnn1C ZINC000096162862 222393512 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378.456 2.384 50 0 GEAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3cccc(N)n3)cc2)C[C@@H]1CCO ZINC000426668950 528001206 /nfs/dbraw/zinc/00/12/06/528001206.db2.gz FVSHQYXZWGUIBG-IBGZPJMESA-N 1 0 382.508 2.496 50 0 GEAARO CCn1ccc(CN2C(=O)N(CCc3ccccc3)C3(CC[NH2+]CC3)C2=O)n1 ZINC000095384306 529156161 /nfs/dbraw/zinc/15/61/61/529156161.db2.gz CLKNXSIKENMAHV-UHFFFAOYSA-N 1 0 381.480 2.032 50 0 GEAARO CCCc1cnc(C)nc1N1CCC([NH2+][C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000095507147 535437174 /nfs/dbraw/zinc/43/71/74/535437174.db2.gz GTYRQPRVKFCNEW-FQEVSTJZSA-N 1 0 381.524 2.393 50 0 GEAARO C[NH+](C)C1(CNCc2c(C(=O)N3CCOCC3)nc3ccccn32)CCCCC1 ZINC000019759117 570216954 /nfs/dbraw/zinc/21/69/54/570216954.db2.gz IOITZCWKCIKNEL-UHFFFAOYSA-N 1 0 399.539 2.161 50 0 GEAARO Cc1cnccc1C[N@H+](C)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000096851286 570232667 /nfs/dbraw/zinc/23/26/67/570232667.db2.gz FISHMUASUMIQGQ-NRFANRHFSA-N 1 0 385.508 2.094 50 0 GEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCN3C(=O)CCC3=O)cc2)C1 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AVVWPIFHKLBOLR-FQEVSTJZSA-N 1 0 386.536 2.331 50 0 GEAARO C[NH+]1CCN(Cn2cc(CCCC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000020624798 570273242 /nfs/dbraw/zinc/27/32/42/570273242.db2.gz VYBMNUWYUXNAMM-UHFFFAOYSA-N 1 0 384.524 2.028 50 0 GEAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000002183625 570277842 /nfs/dbraw/zinc/27/78/42/570277842.db2.gz OMNWLCKJJCHDRR-GOSISDBHSA-N 1 0 386.496 2.024 50 0 GEAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1C ZINC000020783950 570280458 /nfs/dbraw/zinc/28/04/58/570280458.db2.gz RJTDXLSMYDUNGV-OAHLLOKOSA-N 1 0 383.496 2.241 50 0 GEAARO O=C1CCCN1c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000102407457 570288949 /nfs/dbraw/zinc/28/89/49/570288949.db2.gz GZHIIHJENCJRDE-KRWDZBQOSA-N 1 0 381.407 2.374 50 0 GEAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667976 570292539 /nfs/dbraw/zinc/29/25/39/570292539.db2.gz KYFVTEUBMKBQTD-FQEVSTJZSA-N 1 0 398.507 2.242 50 0 GEAARO C[NH+](C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 ZINC000034668387 570293128 /nfs/dbraw/zinc/29/31/28/570293128.db2.gz AQTSFCGQHNVOQB-UHFFFAOYSA-N 1 0 384.499 2.439 50 0 GEAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1 ZINC000034677256 570294031 /nfs/dbraw/zinc/29/40/31/570294031.db2.gz QYZXAPVNRPDKRX-KRWDZBQOSA-N 1 0 378.517 2.016 50 0 GEAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@@H](C)CC)co2)CC1 ZINC000034677409 570294041 /nfs/dbraw/zinc/29/40/41/570294041.db2.gz ZXGDEGPEBQONIL-DLBZAZTESA-N 1 0 380.533 2.119 50 0 GEAARO C[N@@H+]1CCN(CC2=Cc3cc(Cl)ccc3OC2)C[C@@]12CCNC(=O)CC2 ZINC000107414194 570309349 /nfs/dbraw/zinc/30/93/49/570309349.db2.gz VXJDFGABAAANET-HXUWFJFHSA-N 1 0 375.900 2.402 50 0 GEAARO CCCCSc1ncc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cn1 ZINC000108016725 570311749 /nfs/dbraw/zinc/31/17/49/570311749.db2.gz YKKMZVADTBSLCE-LJQANCHMSA-N 1 0 377.558 2.155 50 0 GEAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCOc2ccccc2)CC1 ZINC000075106151 570318594 /nfs/dbraw/zinc/31/85/94/570318594.db2.gz HDXXHTXNSRLEMT-UHFFFAOYSA-N 1 0 375.513 2.198 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cn2)CC1 ZINC000022509348 570318636 /nfs/dbraw/zinc/31/86/36/570318636.db2.gz YRAXQIUSDBXGRN-UHFFFAOYSA-N 1 0 379.464 2.213 50 0 GEAARO CC(C)CC[N@@H+]1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO ZINC000022913500 570333984 /nfs/dbraw/zinc/33/39/84/570333984.db2.gz JBGRPYBKXOBVHN-IBGZPJMESA-N 1 0 386.540 2.041 50 0 GEAARO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000237200531 570334521 /nfs/dbraw/zinc/33/45/21/570334521.db2.gz HJXKAUGPYRFLEO-VIFPVBQESA-N 1 0 397.722 2.389 50 0 GEAARO O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000219228418 570349983 /nfs/dbraw/zinc/34/99/83/570349983.db2.gz DYSIWXCQRUAUSE-WOJBJXKFSA-N 1 0 376.497 2.098 50 0 GEAARO COc1ccc(C2(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)CCCC2)cc1OC ZINC000219279831 570350809 /nfs/dbraw/zinc/35/08/09/570350809.db2.gz HEGZIXHOGKAGMK-XWPNQZOQSA-N 1 0 388.508 2.349 50 0 GEAARO Nc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cn1 ZINC000023232501 570351598 /nfs/dbraw/zinc/35/15/98/570351598.db2.gz CFOBEGVAWFJQGT-RTWAWAEBSA-N 1 0 392.503 2.349 50 0 GEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN1Cc1ccccc1Cl ZINC000023373905 570357689 /nfs/dbraw/zinc/35/76/89/570357689.db2.gz RXDYICMWJMTYPE-QUCCMNQESA-N 1 0 392.975 2.491 50 0 GEAARO O=C(Nc1nnc(C2CCC2)s1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000023399044 570360990 /nfs/dbraw/zinc/36/09/90/570360990.db2.gz XFLGAPFETNAXSI-OAHLLOKOSA-N 1 0 376.530 2.049 50 0 GEAARO Cn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c21 ZINC000004916206 570365160 /nfs/dbraw/zinc/36/51/60/570365160.db2.gz PQLSJPJLBFYNMR-UHFFFAOYSA-N 1 0 395.507 2.271 50 0 GEAARO O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)COc1ccc2c(c1)OCO2 ZINC000004299493 570366206 /nfs/dbraw/zinc/36/62/06/570366206.db2.gz UAAFEWNHVDVMFZ-LJQANCHMSA-N 1 0 384.476 2.409 50 0 GEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000237495450 570373452 /nfs/dbraw/zinc/37/34/52/570373452.db2.gz QPMGMKZZWFCZDK-WDEREUQCSA-N 1 0 378.270 2.490 50 0 GEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000004553086 570383796 /nfs/dbraw/zinc/38/37/96/570383796.db2.gz TUNLQNBGQQZHBQ-GOSISDBHSA-N 1 0 384.407 2.467 50 0 GEAARO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000024733980 570390491 /nfs/dbraw/zinc/39/04/91/570390491.db2.gz YQIDJTIKRQJGRA-PMACEKPBSA-N 1 0 386.517 2.206 50 0 GEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(F)cc3)C2=O)cc1 ZINC000004670565 570391831 /nfs/dbraw/zinc/39/18/31/570391831.db2.gz OGKWNVDVICZWDW-GOSISDBHSA-N 1 0 384.407 2.467 50 0 GEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000004741406 570400996 /nfs/dbraw/zinc/40/09/96/570400996.db2.gz QMUDAXZIJPBUBK-UHFFFAOYSA-N 1 0 382.480 2.467 50 0 GEAARO C[NH+](C)[C@H](CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC000072240629 570413317 /nfs/dbraw/zinc/41/33/17/570413317.db2.gz IRFRORRNJXMZJJ-CQSZACIVSA-N 1 0 390.900 2.474 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC000072240628 570413324 /nfs/dbraw/zinc/41/33/24/570413324.db2.gz IRFRORRNJXMZJJ-AWEZNQCLSA-N 1 0 390.900 2.474 50 0 GEAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695254 570418201 /nfs/dbraw/zinc/41/82/01/570418201.db2.gz DOHJXNLIPUQWJL-KBXCAEBGSA-N 1 0 391.489 2.383 50 0 GEAARO COc1cccc([C@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)[NH+]2CCCC2)c1 ZINC000027343584 570433459 /nfs/dbraw/zinc/43/34/59/570433459.db2.gz DDCYUTCGBRRDHO-INIZCTEOSA-N 1 0 396.447 2.400 50 0 GEAARO O=C(CNC(=O)COc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027500147 570434862 /nfs/dbraw/zinc/43/48/62/570434862.db2.gz MINIAVRUZPZQBY-GOSISDBHSA-N 1 0 385.464 2.118 50 0 GEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000005510463 570443613 /nfs/dbraw/zinc/44/36/13/570443613.db2.gz POAPNBTVEVHGHO-UONOGXRCSA-N 1 0 386.286 2.464 50 0 GEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1cccs1)C2 ZINC000223539858 570470090 /nfs/dbraw/zinc/47/00/90/570470090.db2.gz RESPBWAAFBSAPE-GOSISDBHSA-N 1 0 376.526 2.295 50 0 GEAARO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029484364 570474758 /nfs/dbraw/zinc/47/47/58/570474758.db2.gz ZQIISLJCQHYICV-LJQANCHMSA-N 1 0 387.505 2.495 50 0 GEAARO COc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(OCC2CC2)c1 ZINC000252504785 570477161 /nfs/dbraw/zinc/47/71/61/570477161.db2.gz VLGOVNLFVYSSLY-UHFFFAOYSA-N 1 0 389.540 2.487 50 0 GEAARO C[NH+]1CCC(CNC(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000426621825 570502050 /nfs/dbraw/zinc/50/20/50/570502050.db2.gz VYGOCHMGXRUXID-GOSISDBHSA-N 1 0 377.529 2.365 50 0 GEAARO O[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)CN1CCOCC1 ZINC000006651177 570519986 /nfs/dbraw/zinc/51/99/86/570519986.db2.gz PZOKINNSFLCKCV-IBGZPJMESA-N 1 0 398.532 2.384 50 0 GEAARO O[C@H](COCc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036096696 570535528 /nfs/dbraw/zinc/53/55/28/570535528.db2.gz DGRSAACJTDQTDC-QHCPKHFHSA-N 1 0 384.520 2.399 50 0 GEAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COCc1ccco1 ZINC000036104373 570540770 /nfs/dbraw/zinc/54/07/70/570540770.db2.gz FRPXVLLMKCOKSH-OAQYLSRUSA-N 1 0 388.508 2.300 50 0 GEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022767139 570544152 /nfs/dbraw/zinc/54/41/52/570544152.db2.gz IAMWLWUWHVYWKO-SFHVURJKSA-N 1 0 395.550 2.024 50 0 GEAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C)cc2)c1 ZINC000035421865 570552464 /nfs/dbraw/zinc/55/24/64/570552464.db2.gz YWHIMLIGMLALDO-UHFFFAOYSA-N 1 0 395.503 2.468 50 0 GEAARO O=C(CCN(CCc1ccccc1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000035421675 570552795 /nfs/dbraw/zinc/55/27/95/570552795.db2.gz CRUVJKXOJRXFHR-UHFFFAOYSA-N 1 0 383.467 2.333 50 0 GEAARO CCn1nc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039490119 570592686 /nfs/dbraw/zinc/59/26/86/570592686.db2.gz MWMDJQGPUQYWQY-OAQYLSRUSA-N 1 0 391.604 2.261 50 0 GEAARO COCCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681625 570601807 /nfs/dbraw/zinc/60/18/07/570601807.db2.gz SOGAFRMOEQMCEE-UNMCSNQZSA-N 1 0 379.504 2.312 50 0 GEAARO CCOC(=O)CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012056499 570602630 /nfs/dbraw/zinc/60/26/30/570602630.db2.gz IOOZANHJVRZWAC-AWEZNQCLSA-N 1 0 396.871 2.493 50 0 GEAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000006805979 570606703 /nfs/dbraw/zinc/60/67/03/570606703.db2.gz JSJREFGPGWTYBW-INIZCTEOSA-N 1 0 390.557 2.393 50 0 GEAARO CCCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2nonc2N)cc1OCC ZINC000040744436 570613758 /nfs/dbraw/zinc/61/37/58/570613758.db2.gz SWLMUIWNKUQKES-UHFFFAOYSA-N 1 0 397.863 2.012 50 0 GEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000046959845 570652762 /nfs/dbraw/zinc/65/27/62/570652762.db2.gz FIGZAKVMNGKXHZ-QGZVFWFLSA-N 1 0 393.553 2.323 50 0 GEAARO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCCNC(=O)c2ccsc2)C[C@H](C)O1 ZINC000227798492 570661407 /nfs/dbraw/zinc/66/14/07/570661407.db2.gz CJGYUPCQDMUKNS-SOLBZPMBSA-N 1 0 393.553 2.358 50 0 GEAARO O=C(CN(Cc1cc(F)cc(F)c1)C(=O)c1ccccc1F)N1CC[NH2+]CC1 ZINC000033032867 570670117 /nfs/dbraw/zinc/67/01/17/570670117.db2.gz UGOUSZBQXJKCGQ-UHFFFAOYSA-N 1 0 391.393 2.178 50 0 GEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000033032784 570670200 /nfs/dbraw/zinc/67/02/00/570670200.db2.gz IYBHDRGPICJVHX-UHFFFAOYSA-N 1 0 387.430 2.347 50 0 GEAARO CCn1c(CN2CCN(c3nc4ccccc4s3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244708221 570695323 /nfs/dbraw/zinc/69/53/23/570695323.db2.gz KPSHTVPUDLIMHE-SHTZXODSSA-N 1 0 397.552 2.435 50 0 GEAARO Cn1c2ccccc2cc(C[NH+]2CCC(C(=O)NCc3ccccn3)CC2)c1=O ZINC000244900151 570698747 /nfs/dbraw/zinc/69/87/47/570698747.db2.gz ZWXXVZVHZVDCMK-UHFFFAOYSA-N 1 0 390.487 2.462 50 0 GEAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cnc2onc(C)c2c1 ZINC000058175501 570716519 /nfs/dbraw/zinc/71/65/19/570716519.db2.gz PTWRHVGSPQPZTO-INIZCTEOSA-N 1 0 388.468 2.411 50 0 GEAARO C[NH+]1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059845 570746890 /nfs/dbraw/zinc/74/68/90/570746890.db2.gz RKSHGMVEYACUSU-UHFFFAOYSA-N 1 0 383.521 2.454 50 0 GEAARO CCC[NH+]1CCN(CCNC(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1 ZINC000065274392 570776165 /nfs/dbraw/zinc/77/61/65/570776165.db2.gz OKSODOUYNMNIAU-UHFFFAOYSA-N 1 0 392.507 2.154 50 0 GEAARO OCC[NH2+]CCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491970 570789668 /nfs/dbraw/zinc/78/96/68/570789668.db2.gz NIOMAIJASVYSHH-UHFFFAOYSA-N 1 0 385.899 2.318 50 0 GEAARO COc1cccc([C@@H](CNC(=O)Cn2nc(C)c3ccccc3c2=O)[NH+](C)C)c1 ZINC000036689445 570790005 /nfs/dbraw/zinc/79/00/05/570790005.db2.gz XSRGSBIQJKVFFS-HXUWFJFHSA-N 1 0 394.475 2.133 50 0 GEAARO O=c1ccc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2[nH]1 ZINC000033077146 570805791 /nfs/dbraw/zinc/80/57/91/570805791.db2.gz IGYFZNQTKJQTJW-UHFFFAOYSA-N 1 0 375.494 2.167 50 0 GEAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)c1cccc(OC)c1 ZINC000036751093 570807910 /nfs/dbraw/zinc/80/79/10/570807910.db2.gz OQYUFEFMPNNCNA-FQEVSTJZSA-N 1 0 375.513 2.453 50 0 GEAARO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000032778180 570811331 /nfs/dbraw/zinc/81/13/31/570811331.db2.gz WVWHKTBKCVSUHF-UHFFFAOYSA-N 1 0 375.856 2.446 50 0 GEAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014539109 570849075 /nfs/dbraw/zinc/84/90/75/570849075.db2.gz QNQBLZKQQKVSHT-UHFFFAOYSA-N 1 0 381.480 2.157 50 0 GEAARO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)o1 ZINC000170599221 570857288 /nfs/dbraw/zinc/85/72/88/570857288.db2.gz KVIBRGQMCVAECH-SJKOYZFVSA-N 1 0 380.466 2.344 50 0 GEAARO CNC(=O)c1cccc(NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1C ZINC000044174313 570868482 /nfs/dbraw/zinc/86/84/82/570868482.db2.gz JAPJGUKZQDTNFP-FXAWDEMLSA-N 1 0 398.507 2.388 50 0 GEAARO COCCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072149589 570872805 /nfs/dbraw/zinc/87/28/05/570872805.db2.gz RSDKTDSBONAKKQ-UXHICEINSA-N 1 0 381.476 2.219 50 0 GEAARO C[N@H+](CCN(C1CC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000170618792 570876049 /nfs/dbraw/zinc/87/60/49/570876049.db2.gz UTOMSUBHUVHAAJ-UHFFFAOYSA-N 1 0 377.510 2.061 50 0 GEAARO CCOCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000004552795 570880239 /nfs/dbraw/zinc/88/02/39/570880239.db2.gz MIJHTUXWZBDIEA-UHFFFAOYSA-N 1 0 394.512 2.467 50 0 GEAARO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000299756344 570891738 /nfs/dbraw/zinc/89/17/38/570891738.db2.gz HKMWKGNLQKUFMO-INIZCTEOSA-N 1 0 377.876 2.163 50 0 GEAARO O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC([NH+]2CCSCC2)CC1 ZINC000299782105 570895041 /nfs/dbraw/zinc/89/50/41/570895041.db2.gz MEYZLDYFELXMRY-UHFFFAOYSA-N 1 0 376.482 2.063 50 0 GEAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCCc1ccccn1 ZINC000299789192 570896175 /nfs/dbraw/zinc/89/61/75/570896175.db2.gz SWSAZISJDGDIFT-UHFFFAOYSA-N 1 0 391.475 2.338 50 0 GEAARO CCOCCCNC(=O)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000032916301 570927838 /nfs/dbraw/zinc/92/78/38/570927838.db2.gz RJBQHTJSHMBCMP-INIZCTEOSA-N 1 0 393.503 2.258 50 0 GEAARO Cc1cc(NCc2cccnc2N2CCN(c3ccccn3)CC2)nc(N)[nH+]1 ZINC000019222877 570963512 /nfs/dbraw/zinc/96/35/12/570963512.db2.gz KGZLUPUDNXJNCQ-UHFFFAOYSA-N 1 0 376.468 2.096 50 0 GEAARO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000019225516 570964201 /nfs/dbraw/zinc/96/42/01/570964201.db2.gz WMICEQAOIFWSGM-HNNXBMFYSA-N 1 0 388.468 2.214 50 0 GEAARO C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000252474606 570964457 /nfs/dbraw/zinc/96/44/57/570964457.db2.gz IEDYYCCBLJTLGX-UKRRQHHQSA-N 1 0 381.318 2.279 50 0 GEAARO Cc1nc(CC[NH2+]Cc2c(C(=O)N3CCOCC3)nc3ccccn32)sc1C ZINC000019338895 570976680 /nfs/dbraw/zinc/97/66/80/570976680.db2.gz YENXNPBVAJWKND-UHFFFAOYSA-N 1 0 399.520 2.212 50 0 GEAARO COCCCn1c(C)cc(C)c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1=O ZINC000252570973 570995872 /nfs/dbraw/zinc/99/58/72/570995872.db2.gz XMBXEMRDEDHINM-MOPGFXCFSA-N 1 0 389.540 2.496 50 0 GEAARO C[NH+](C)CCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000046721013 571005272 /nfs/dbraw/zinc/00/52/72/571005272.db2.gz IZNQJTYYAITJPP-UHFFFAOYSA-N 1 0 380.448 2.435 50 0 GEAARO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)n1 ZINC000091519152 571011912 /nfs/dbraw/zinc/01/19/12/571011912.db2.gz SWPRPMJYOQMFSQ-VQTJNVASSA-N 1 0 381.524 2.329 50 0 GEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)NCCc1ccc(F)cc1 ZINC000091616428 571017811 /nfs/dbraw/zinc/01/78/11/571017811.db2.gz PHGMIJAKMITIJV-QFIPXVFZSA-N 1 0 387.499 2.351 50 0 GEAARO Cc1c(C[NH+]2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)cnn1C ZINC000091625117 571018984 /nfs/dbraw/zinc/01/89/84/571018984.db2.gz GQSVGJGBSOLWKL-UHFFFAOYSA-N 1 0 384.528 2.220 50 0 GEAARO C[C@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[NH+]1CCCC1 ZINC000091707455 571026864 /nfs/dbraw/zinc/02/68/64/571026864.db2.gz WEIPTHLGYLQIGC-XSXQVXRUSA-N 1 0 384.524 2.452 50 0 GEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CN2Cc3ccccc3C2)CC1 ZINC000091780776 571030212 /nfs/dbraw/zinc/03/02/12/571030212.db2.gz CNMCICJYXOMKSL-UHFFFAOYSA-N 1 0 381.524 2.167 50 0 GEAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4occc4c3)C[C@H]2CCCO)CC1 ZINC000091871979 571034169 /nfs/dbraw/zinc/03/41/69/571034169.db2.gz KMNMMBBQQPQUHH-UXHICEINSA-N 1 0 385.508 2.283 50 0 GEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1CO ZINC000091987827 571038882 /nfs/dbraw/zinc/03/88/82/571038882.db2.gz AGNKTUDSGLPPSV-ZIAGYGMSSA-N 1 0 389.323 2.181 50 0 GEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccc4cccnc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092066395 571043922 /nfs/dbraw/zinc/04/39/22/571043922.db2.gz YTUPTLGHQMDVRB-WOUAJJJCSA-N 1 0 383.492 2.025 50 0 GEAARO Fc1ccc(OCc2noc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)n2)cc1 ZINC000247556753 571048594 /nfs/dbraw/zinc/04/85/94/571048594.db2.gz XMIYUKFAXJWDOA-GOSISDBHSA-N 1 0 390.459 2.474 50 0 GEAARO O=C(c1ccc(SCCO)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095356776 571052725 /nfs/dbraw/zinc/05/27/25/571052725.db2.gz AUUYLPKTIAWJOJ-QFBILLFUSA-N 1 0 390.549 2.486 50 0 GEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000095357488 571052844 /nfs/dbraw/zinc/05/28/44/571052844.db2.gz YKZZZHWUJUOAKI-OAQYLSRUSA-N 1 0 385.552 2.437 50 0 GEAARO Cc1nnc(CCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]1 ZINC000095359648 571054619 /nfs/dbraw/zinc/05/46/19/571054619.db2.gz OBCUTASLNCPJHF-IOMROCGXSA-N 1 0 383.471 2.274 50 0 GEAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000095365917 571057851 /nfs/dbraw/zinc/05/78/51/571057851.db2.gz HCQIMILAXBHAGV-LJQANCHMSA-N 1 0 380.496 2.456 50 0 GEAARO Fc1cccc(Cl)c1Cn1ncnc1-c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000095365219 571058007 /nfs/dbraw/zinc/05/80/07/571058007.db2.gz SHWHUYREPPAFKW-GFCCVEGCSA-N 1 0 375.839 2.377 50 0 GEAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000095365918 571058470 /nfs/dbraw/zinc/05/84/70/571058470.db2.gz HCQIMILAXBHAGV-IBGZPJMESA-N 1 0 380.496 2.456 50 0 GEAARO CCc1cc(CN2C(=O)N(CCc3ccccc3)C3(CC[NH2+]CC3)C2=O)on1 ZINC000095367300 571059260 /nfs/dbraw/zinc/05/92/60/571059260.db2.gz LNKFZAMBDNYDAD-UHFFFAOYSA-N 1 0 382.464 2.366 50 0 GEAARO CN1CC[C@@]2(CN(C(=O)c3ccccc3N3CCCC3)CC[N@@H+]2C)CCC1=O ZINC000095374175 571063176 /nfs/dbraw/zinc/06/31/76/571063176.db2.gz SAVMFIRSKWWPMI-JOCHJYFZSA-N 1 0 384.524 2.056 50 0 GEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000095377051 571065204 /nfs/dbraw/zinc/06/52/04/571065204.db2.gz LLEFHEDXODSKBT-KRWDZBQOSA-N 1 0 378.480 2.408 50 0 GEAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC[NH+](C)C)ccc1Cl ZINC000003209530 642321778 /nfs/dbraw/zinc/32/17/78/642321778.db2.gz TWKYWEZGSUSJOL-UHFFFAOYSA-N 1 0 375.922 2.052 50 0 GEAARO Cc1csc(N2CCC([NH2+]C[C@H](N3CCOCC3)C(F)(F)F)CC2)n1 ZINC000367538917 647736735 /nfs/dbraw/zinc/73/67/35/647736735.db2.gz UQCZCURIEGQQPJ-AWEZNQCLSA-N 1 0 378.464 2.273 50 0 GEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000409413520 529949901 /nfs/dbraw/zinc/94/99/01/529949901.db2.gz BRIRRTZHECKNNX-UHOSZYNNSA-N 1 0 398.507 2.224 50 0 GEAARO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCC(N)=O ZINC000004458593 531516715 /nfs/dbraw/zinc/51/67/15/531516715.db2.gz ZEIUIOMIOHTZPJ-UHFFFAOYSA-N 1 0 394.269 2.397 50 0 GEAARO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCCC[NH+](C)C)c1 ZINC000007065237 531536393 /nfs/dbraw/zinc/53/63/93/531536393.db2.gz DZGZVZKQKFOWOS-UHFFFAOYSA-N 1 0 386.587 2.264 50 0 GEAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)s1 ZINC000022767186 531591397 /nfs/dbraw/zinc/59/13/97/531591397.db2.gz BKGXMCQEQLZTCU-HNNXBMFYSA-N 1 0 385.580 2.385 50 0 GEAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccccc2F)c2ccsc2)CC1 ZINC000022767112 531591420 /nfs/dbraw/zinc/59/14/20/531591420.db2.gz YAHNIODIHWWXRG-MRXNPFEDSA-N 1 0 383.514 2.154 50 0 GEAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2cccc(F)c2)c2ccsc2)CC1 ZINC000022767178 531591858 /nfs/dbraw/zinc/59/18/58/531591858.db2.gz OTRQKRBUJNDCFS-QGZVFWFLSA-N 1 0 383.514 2.154 50 0 GEAARO CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OC(C)C ZINC000040719598 531660979 /nfs/dbraw/zinc/66/09/79/531660979.db2.gz KPDPPUOPLXOOEA-UHFFFAOYSA-N 1 0 375.307 2.307 50 0 GEAARO CN(Cc1ccc(Br)cc1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237259206 532506248 /nfs/dbraw/zinc/50/62/48/532506248.db2.gz UCFPWCLZLOBCQT-UHFFFAOYSA-N 1 0 378.274 2.237 50 0 GEAARO COc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000237228040 532506400 /nfs/dbraw/zinc/50/64/00/532506400.db2.gz GCPGEAVJOLMPQZ-GHMZBOCLSA-N 1 0 377.304 2.206 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000652384772 532510530 /nfs/dbraw/zinc/51/05/30/532510530.db2.gz MWCMCSMJQFJYPI-XGWLTEMNSA-N 1 0 388.917 2.398 50 0 GEAARO C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096401521 212156483 /nfs/dbraw/zinc/15/64/83/212156483.db2.gz BJRMPQJMASFPAJ-YUIUBULTSA-N 1 0 377.488 2.379 50 0 GEAARO CS(=O)(=O)Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007735723 221008780 /nfs/dbraw/zinc/00/87/80/221008780.db2.gz AXRZYHMKKWHKNC-QGZVFWFLSA-N 1 0 376.478 2.391 50 0 GEAARO O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000008156958 221029290 /nfs/dbraw/zinc/02/92/90/221029290.db2.gz XYVKSJCWJMLFAV-UHFFFAOYSA-N 1 0 376.460 2.309 50 0 GEAARO COC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000007985778 221019482 /nfs/dbraw/zinc/01/94/82/221019482.db2.gz CGMVLWNDQYUQIC-OAQYLSRUSA-N 1 0 398.503 2.467 50 0 GEAARO O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864218 221060688 /nfs/dbraw/zinc/06/06/88/221060688.db2.gz KUHNHVFZYVKTFW-KRWDZBQOSA-N 1 0 375.469 2.457 50 0 GEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000009620908 221087909 /nfs/dbraw/zinc/08/79/09/221087909.db2.gz WARPGZXQXMUBPB-UHFFFAOYSA-N 1 0 395.916 2.381 50 0 GEAARO CCOc1cc(C[NH+]2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)ccc1OC ZINC000011815891 221127257 /nfs/dbraw/zinc/12/72/57/221127257.db2.gz BIUAAYNBJJWUBQ-UHFFFAOYSA-N 1 0 399.495 2.415 50 0 GEAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000011815811 221127985 /nfs/dbraw/zinc/12/79/85/221127985.db2.gz GWDNLOSCZJNRBZ-LJQANCHMSA-N 1 0 376.526 2.105 50 0 GEAARO COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000011843001 221131882 /nfs/dbraw/zinc/13/18/82/221131882.db2.gz RFKBLAHZQFLVCT-SFHVURJKSA-N 1 0 387.524 2.333 50 0 GEAARO COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011879364 221134895 /nfs/dbraw/zinc/13/48/95/221134895.db2.gz VYNXMYWYWQAHNQ-HXUWFJFHSA-N 1 0 392.540 2.437 50 0 GEAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000011662113 221118597 /nfs/dbraw/zinc/11/85/97/221118597.db2.gz HGEZGFJTJACOAD-FQEVSTJZSA-N 1 0 389.540 2.369 50 0 GEAARO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc(OC)c1 ZINC000011720720 221122448 /nfs/dbraw/zinc/12/24/48/221122448.db2.gz YYQBBFQXFHGVKQ-KRWDZBQOSA-N 1 0 375.513 2.126 50 0 GEAARO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1cccnc1)CC2 ZINC000012031042 221143225 /nfs/dbraw/zinc/14/32/25/221143225.db2.gz VAQHQFRXSDKKMJ-LJQANCHMSA-N 1 0 394.479 2.452 50 0 GEAARO O=C(COc1ccc(N2CCCC2)nn1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012034232 221145149 /nfs/dbraw/zinc/14/51/49/221145149.db2.gz WBBCZJDQWYSCQX-IBGZPJMESA-N 1 0 395.507 2.236 50 0 GEAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cc[n+]([O-])cc3)CC2)cc1 ZINC000012073314 221146171 /nfs/dbraw/zinc/14/61/71/221146171.db2.gz NCWZCPWNJAWMIK-UHFFFAOYSA-N 1 0 383.492 2.355 50 0 GEAARO Cc1ccc([C@@H](C)CC[N@H+](C)CCn2cc(C(=O)N3CCSCC3)nn2)o1 ZINC000012132274 221157411 /nfs/dbraw/zinc/15/74/11/221157411.db2.gz DAKUKTJOMCVYTI-HNNXBMFYSA-N 1 0 391.541 2.494 50 0 GEAARO Cn1c(CNC(=O)C2(c3ccc(Cl)cc3)CC2)nnc1SCC[NH+](C)C ZINC000012149863 221159990 /nfs/dbraw/zinc/15/99/90/221159990.db2.gz AVRAZYLUNTZBFU-UHFFFAOYSA-N 1 0 393.944 2.470 50 0 GEAARO CSc1ccccc1OCc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000012298723 221175696 /nfs/dbraw/zinc/17/56/96/221175696.db2.gz PKQJCDJVCBDRSS-CQSZACIVSA-N 1 0 391.493 2.162 50 0 GEAARO CCc1c(C(=O)NCc2cnn(C)c2C)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000012217164 221168330 /nfs/dbraw/zinc/16/83/30/221168330.db2.gz DLPBEXKJDWLKBA-UHFFFAOYSA-N 1 0 399.539 2.177 50 0 GEAARO C[NH+](C)C1(CNC(=O)c2cn(C[C@@H]3COc4ccccc4O3)nn2)CCCCC1 ZINC000012223696 221170582 /nfs/dbraw/zinc/17/05/82/221170582.db2.gz MHLVAGVZMCLHMB-MRXNPFEDSA-N 1 0 399.495 2.112 50 0 GEAARO Cc1cccc(OC2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)C)CC2)c1 ZINC000012431172 221191827 /nfs/dbraw/zinc/19/18/27/221191827.db2.gz HVSCTXGZKARALT-FQEVSTJZSA-N 1 0 387.524 2.211 50 0 GEAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1cn(C[C@H]2CCCO2)nn1 ZINC000012456546 221197764 /nfs/dbraw/zinc/19/77/64/221197764.db2.gz VKNKNJMJHNIIMH-LJQANCHMSA-N 1 0 383.496 2.067 50 0 GEAARO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]c(=O)n1 ZINC000012458291 221198152 /nfs/dbraw/zinc/19/81/52/221198152.db2.gz TWGGPANWNFXTDE-GOSISDBHSA-N 1 0 382.508 2.405 50 0 GEAARO C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1=O ZINC000012517018 221200615 /nfs/dbraw/zinc/20/06/15/221200615.db2.gz YIJNEXDBDGSZSU-MRXNPFEDSA-N 1 0 394.475 2.191 50 0 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CC[N@@H+]1CCC[C@H]1CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N(C)C ZINC000058160943 222042694 /nfs/dbraw/zinc/04/26/94/222042694.db2.gz GYNJWKXYPVQZKN-KRWDZBQOSA-N 1 0 394.947 2.461 50 0 GEAARO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058216496 222045613 /nfs/dbraw/zinc/04/56/13/222045613.db2.gz LXBHELFOAFXJEC-IBGZPJMESA-N 1 0 386.496 2.251 50 0 GEAARO COc1ccc(CC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000058223798 222045785 /nfs/dbraw/zinc/04/57/85/222045785.db2.gz PVUFBLIOYGZDOU-JZXOWHBKSA-N 1 0 376.497 2.347 50 0 GEAARO C[C@H]1CCC[C@@](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)([NH+](C)C)C1 ZINC000058249821 222047745 /nfs/dbraw/zinc/04/77/45/222047745.db2.gz KYOHVQMHLUZUEU-IFXJQAMLSA-N 1 0 379.526 2.360 50 0 GEAARO COc1cccc([C@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)[NH+](C)C)c1 ZINC000058896570 222055733 /nfs/dbraw/zinc/05/57/33/222055733.db2.gz PYIDCVXZFLFFIK-IBGZPJMESA-N 1 0 395.467 2.404 50 0 GEAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000064665560 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/nfs/dbraw/zinc/30/05/62/222300562.db2.gz SBIDSMGWOYWIFZ-GJZGRUSLSA-N 1 0 383.439 2.269 50 0 GEAARO CC(C)[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1NS(C)(=O)=O ZINC000082083486 222306911 /nfs/dbraw/zinc/30/69/11/222306911.db2.gz ZABKKMFXKILZLV-VQTJNVASSA-N 1 0 379.570 2.157 50 0 GEAARO Cc1ccc(F)cc1S(=O)(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082107686 222308298 /nfs/dbraw/zinc/30/82/98/222308298.db2.gz IDJMVHLUPCPJFR-UHFFFAOYSA-N 1 0 380.489 2.281 50 0 GEAARO CCCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082087551 222308372 /nfs/dbraw/zinc/30/83/72/222308372.db2.gz HBPSDSGZYYNTMQ-SFHVURJKSA-N 1 0 379.545 2.129 50 0 GEAARO CCC1CC[NH+](Cc2cccc(OC)c2OC[C@H](O)CN2CCOCC2)CC1 ZINC000095518000 222344811 /nfs/dbraw/zinc/34/48/11/222344811.db2.gz QCEZTRZBUFREPE-HXUWFJFHSA-N 1 0 392.540 2.389 50 0 GEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cn2ccccc2=O)C1 ZINC000095524982 222347737 /nfs/dbraw/zinc/34/77/37/222347737.db2.gz SJRRRLQNIAZJSI-IBGZPJMESA-N 1 0 397.519 2.270 50 0 GEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2 ZINC000095523742 222348207 /nfs/dbraw/zinc/34/82/07/222348207.db2.gz YLLFTTVRTLELFW-KRWDZBQOSA-N 1 0 384.528 2.274 50 0 GEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000095525144 222348680 /nfs/dbraw/zinc/34/86/80/222348680.db2.gz PPTSQQFUUODLGR-KRWDZBQOSA-N 1 0 397.523 2.032 50 0 GEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000095527537 222350646 /nfs/dbraw/zinc/35/06/46/222350646.db2.gz RDYPIKUFMBGELI-GFCCVEGCSA-N 1 0 384.406 2.206 50 0 GEAARO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000095958825 222363743 /nfs/dbraw/zinc/36/37/43/222363743.db2.gz FGQARDXBCQGDSV-KRWDZBQOSA-N 1 0 379.508 2.332 50 0 GEAARO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 ZINC000095963624 222365798 /nfs/dbraw/zinc/36/57/98/222365798.db2.gz XJFLPEGAFYNESD-UHFFFAOYSA-N 1 0 390.509 2.472 50 0 GEAARO COc1ccc(-n2nc(-c3ccccn3)nc2CN2CCC[N@H+](C)CC2)cc1 ZINC000096137577 222386310 /nfs/dbraw/zinc/38/63/10/222386310.db2.gz ZEZKSKGSEQCORR-UHFFFAOYSA-N 1 0 378.480 2.475 50 0 GEAARO Nc1ncccc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096140421 222387227 /nfs/dbraw/zinc/38/72/27/222387227.db2.gz KATNTDFWTBFDOQ-UHFFFAOYSA-N 1 0 378.484 2.215 50 0 GEAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(-c3ccc(O)cc3)c2)C1 ZINC000096163096 222393115 /nfs/dbraw/zinc/39/31/15/222393115.db2.gz DFGDHLISNATYRK-IBGZPJMESA-N 1 0 381.476 2.376 50 0 GEAARO CCn1cc(S(=O)(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)c(C)n1 ZINC000095521079 222345653 /nfs/dbraw/zinc/34/56/53/222345653.db2.gz FFVHFVXPQUPDDY-ZWKOTPCHSA-N 1 0 376.526 2.238 50 0 GEAARO COC(=O)c1ccc(OC)c(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1 ZINC000426689159 534233549 /nfs/dbraw/zinc/23/35/49/534233549.db2.gz JNTDFGFLVMCORM-CYBMUJFWSA-N 1 0 376.482 2.370 50 0 GEAARO O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095388968 534393546 /nfs/dbraw/zinc/39/35/46/534393546.db2.gz JXNNQXZXLUUXIL-FXAWDEMLSA-N 1 0 379.508 2.149 50 0 GEAARO CC(C)c1nc(CCN(C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)no1 ZINC000426389526 528268262 /nfs/dbraw/zinc/26/82/62/528268262.db2.gz WXKJZWJABCNVNO-UHFFFAOYSA-N 1 0 386.500 2.437 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)N1CCC2(CN(C)C(=O)O2)CC1)c1ccco1 ZINC000426490749 528271972 /nfs/dbraw/zinc/27/19/72/528271972.db2.gz SKBFAKGGMOTUCW-OAHLLOKOSA-N 1 0 378.473 2.289 50 0 GEAARO CC[C@H]1CN(C(=O)c2ccc(-c3cc(C)ccc3OCC(N)=O)cc2)CC[NH2+]1 ZINC000426505636 529281862 /nfs/dbraw/zinc/28/18/62/529281862.db2.gz FDOKSYFQZCLUNB-SFHVURJKSA-N 1 0 381.476 2.350 50 0 GEAARO COCCCN1CC2(CCC1=O)CCN(c1cc(C)[nH+]c(N(C)C)n1)CC2 ZINC000092028729 536541954 /nfs/dbraw/zinc/54/19/54/536541954.db2.gz ZEJOPMQVHGDEMI-UHFFFAOYSA-N 1 0 375.517 2.097 50 0 GEAARO CCCc1cnc(C)nc1N1CCC([NH2+]CCN2CCC[C@@H](CO)C2)CC1 ZINC000095497892 535436691 /nfs/dbraw/zinc/43/66/91/535436691.db2.gz IEUHVWPWPSQOME-GOSISDBHSA-N 1 0 375.561 2.000 50 0 GEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000095477090 535567444 /nfs/dbraw/zinc/56/74/44/535567444.db2.gz QRIHRDFDEVNZEJ-OAHLLOKOSA-N 1 0 399.944 2.484 50 0 GEAARO CN1CCN(c2ncc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741316 536426278 /nfs/dbraw/zinc/42/62/78/536426278.db2.gz GLVGMUZDJZUBBU-JOCHJYFZSA-N 1 0 395.551 2.490 50 0 GEAARO COc1ccccc1CCc1nnc(CCC(=O)N2CC[NH+](CC3CC3)CC2)o1 ZINC000019741544 570212646 /nfs/dbraw/zinc/21/26/46/570212646.db2.gz FSHCYPHALDQLGW-UHFFFAOYSA-N 1 0 398.507 2.350 50 0 GEAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019771180 570218083 /nfs/dbraw/zinc/21/80/83/570218083.db2.gz MKQOUWWRJUFSRZ-HXUWFJFHSA-N 1 0 384.476 2.111 50 0 GEAARO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019770985 570218150 /nfs/dbraw/zinc/21/81/50/570218150.db2.gz QLFFDCJFQDUGNE-NHCUHLMSSA-N 1 0 398.503 2.022 50 0 GEAARO CCOc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 ZINC000019836192 570223748 /nfs/dbraw/zinc/22/37/48/570223748.db2.gz ZZWFFYPCNVZRAX-UHFFFAOYSA-N 1 0 397.523 2.194 50 0 GEAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000019839074 570224302 /nfs/dbraw/zinc/22/43/02/570224302.db2.gz YTWMXWWSUJFQHB-KRWDZBQOSA-N 1 0 385.512 2.167 50 0 GEAARO COc1ccc(OCC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000019902154 570228826 /nfs/dbraw/zinc/22/88/26/570228826.db2.gz DVKUULDMIOXLFZ-UHFFFAOYSA-N 1 0 375.513 2.141 50 0 GEAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH+]1CCC(CO)CC1)CC2 ZINC000019939012 570232539 /nfs/dbraw/zinc/23/25/39/570232539.db2.gz MAYMNEXQVLIFSV-LJQANCHMSA-N 1 0 396.535 2.254 50 0 GEAARO Nc1ncccc1C[NH+]1CCC2(CCN(C(=O)C3CCCC3)C[C@@H]2CO)CC1 ZINC000097099353 570236666 /nfs/dbraw/zinc/23/66/66/570236666.db2.gz AFAVULMFIGDIMW-LJQANCHMSA-N 1 0 386.540 2.277 50 0 GEAARO Cc1nn(C)cc1C[NH+]1CCC2(CCN(Cc3cscn3)C[C@H]2CO)CC1 ZINC000097155778 570237854 /nfs/dbraw/zinc/23/78/54/570237854.db2.gz UDQQTKZMKRAQME-SFHVURJKSA-N 1 0 389.569 2.282 50 0 GEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048354916 570243064 /nfs/dbraw/zinc/24/30/64/570243064.db2.gz BJRODCVOCYYIBG-GPMSIDNRSA-N 1 0 378.538 2.215 50 0 GEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1nc2ccccc2n(C)c1=O ZINC000097468075 570244260 /nfs/dbraw/zinc/24/42/60/570244260.db2.gz FTXLSHYBYHUDOL-OAHLLOKOSA-N 1 0 376.460 2.110 50 0 GEAARO O=C(Cn1[nH]c2ccccc2c1=O)NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000097514966 570245358 /nfs/dbraw/zinc/24/53/58/570245358.db2.gz FRLBDCHVRYHHNS-GOSISDBHSA-N 1 0 378.476 2.325 50 0 GEAARO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000020190756 570246427 /nfs/dbraw/zinc/24/64/27/570246427.db2.gz KNRIIZUMOZEVEX-GOSISDBHSA-N 1 0 381.407 2.374 50 0 GEAARO Cc1cnn(-c2ccc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)c1 ZINC000048364555 570247179 /nfs/dbraw/zinc/24/71/79/570247179.db2.gz NXZOWEFCOPQWPM-UHFFFAOYSA-N 1 0 390.491 2.258 50 0 GEAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000020254615 570250219 /nfs/dbraw/zinc/25/02/19/570250219.db2.gz HWRXEYKEJOKOIQ-DNQXCXABSA-N 1 0 395.547 2.448 50 0 GEAARO O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000020293642 570251977 /nfs/dbraw/zinc/25/19/77/570251977.db2.gz AFTGVIFUIMHPNB-SFHVURJKSA-N 1 0 387.549 2.042 50 0 GEAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)CC1 ZINC000104517970 570260238 /nfs/dbraw/zinc/26/02/38/570260238.db2.gz HOJASHNVHAVXQH-HXUWFJFHSA-N 1 0 389.540 2.157 50 0 GEAARO CCC[NH+]1CCC(N2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)CC1 ZINC000020513798 570265045 /nfs/dbraw/zinc/26/50/45/570265045.db2.gz KOZKVQWLRLATRL-NRFANRHFSA-N 1 0 375.557 2.438 50 0 GEAARO CN1CCN(c2cccc(N3CCC([NH2+]CCCn4cccn4)CC3)c2)C1=O ZINC000020920297 570284937 /nfs/dbraw/zinc/28/49/37/570284937.db2.gz OMQVURFXOUTYCR-UHFFFAOYSA-N 1 0 382.512 2.404 50 0 GEAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000215217190 570286319 /nfs/dbraw/zinc/28/63/19/570286319.db2.gz ZPUYXUASGIJOOU-ZDUSSCGKSA-N 1 0 376.888 2.494 50 0 GEAARO CCOC(=O)c1c2n(c3cc(N4CC[NH2+]CC4)c(F)cc3c1=O)[C@@H](C)S2 ZINC000021297413 570290074 /nfs/dbraw/zinc/29/00/74/570290074.db2.gz XWZXETKTFKCCPB-SNVBAGLBSA-N 1 0 377.441 2.351 50 0 GEAARO O[C@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000021487172 570291736 /nfs/dbraw/zinc/29/17/36/570291736.db2.gz XHXYSTCDXYAYST-PMACEKPBSA-N 1 0 384.476 2.026 50 0 GEAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC[C@@H](C)CC)co2)CC1 ZINC000034677408 570293995 /nfs/dbraw/zinc/29/39/95/570293995.db2.gz ZXGDEGPEBQONIL-IRXDYDNUSA-N 1 0 380.533 2.119 50 0 GEAARO COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021793626 570295997 /nfs/dbraw/zinc/29/59/97/570295997.db2.gz NUMBXWYEPOEQHO-UHFFFAOYSA-N 1 0 381.480 2.356 50 0 GEAARO COc1cc2nc(CN3CC[NH+](Cc4ccccc4)CC3)[nH]c(=O)c2cc1OC ZINC000021822313 570297293 /nfs/dbraw/zinc/29/72/93/570297293.db2.gz GTFVJTWIRFMYPM-UHFFFAOYSA-N 1 0 394.475 2.258 50 0 GEAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1N(C)S(C)(=O)=O ZINC000106235037 570306355 /nfs/dbraw/zinc/30/63/55/570306355.db2.gz GUAUCLZAMGRGFB-HZPDHXFCSA-N 1 0 395.569 2.489 50 0 GEAARO COc1cc(-c2noc(CCC(=O)N3CC[C@H](C[NH3+])C3)n2)cc(Cl)c1OC ZINC000178570527 570325470 /nfs/dbraw/zinc/32/54/70/570325470.db2.gz XWONNVAKBGFXQS-LLVKDONJSA-N 1 0 394.859 2.147 50 0 GEAARO CNC(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCN1CCC(c3ccccc3)CC1)CC2 ZINC000022893445 570333284 /nfs/dbraw/zinc/33/32/84/570333284.db2.gz YBFQBEHKVVUIMM-IBGZPJMESA-N 1 0 395.551 2.106 50 0 GEAARO CCOc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000023145509 570346442 /nfs/dbraw/zinc/34/64/42/570346442.db2.gz GACNAEDAEAYZEQ-FQEVSTJZSA-N 1 0 391.556 2.057 50 0 GEAARO Cc1ccccc1CSCC(=O)N1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000219321850 570354851 /nfs/dbraw/zinc/35/48/51/570354851.db2.gz XTYQIIQRPPRKJM-UHFFFAOYSA-N 1 0 375.538 2.041 50 0 GEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000237440199 570359448 /nfs/dbraw/zinc/35/94/48/570359448.db2.gz LZNSNIFNRWHAQY-XEZPLFJOSA-N 1 0 394.313 2.388 50 0 GEAARO Cc1cccc(C)c1OCCOC[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000004247906 570364136 /nfs/dbraw/zinc/36/41/36/570364136.db2.gz QMJJHRJPQYJCSV-HXUWFJFHSA-N 1 0 385.508 2.277 50 0 GEAARO CCN1C(=O)C(=C(C)NCc2ccccc2C[NH+](C)C)C(=O)N(CC)C1=S ZINC000023653050 570368252 /nfs/dbraw/zinc/36/82/52/570368252.db2.gz WTOKMMFZSOHSMI-UHFFFAOYSA-N 1 0 388.537 2.107 50 0 GEAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCC[N@H+]4CCCC[C@H]4C)c3c2c1 ZINC000004961868 570383294 /nfs/dbraw/zinc/38/32/94/570383294.db2.gz USKBDQJYWLECKS-OAHLLOKOSA-N 1 0 382.464 2.442 50 0 GEAARO CN(C(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000024733987 570390544 /nfs/dbraw/zinc/39/05/44/570390544.db2.gz YQIDJTIKRQJGRA-VQTJNVASSA-N 1 0 386.517 2.206 50 0 GEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000237817791 570401073 /nfs/dbraw/zinc/40/10/73/570401073.db2.gz DWIDWZJFGXJBPR-GOSISDBHSA-N 1 0 398.429 2.105 50 0 GEAARO COc1ccccc1N(C[C@H](O)C[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000004819931 570408636 /nfs/dbraw/zinc/40/86/36/570408636.db2.gz RVPNDRNQKKPOLT-QGZVFWFLSA-N 1 0 390.505 2.347 50 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384.499 2.415 50 0 GEAARO CCn1c(CN(C)Cc2nccn2Cc2ccccc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244764128 570696235 /nfs/dbraw/zinc/69/62/35/570696235.db2.gz PBVBXIQSJZQKBR-HDICACEKSA-N 1 0 379.512 2.380 50 0 GEAARO Cc1c(C(=O)NCc2ccccn2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048211 570698898 /nfs/dbraw/zinc/69/88/98/570698898.db2.gz XIBPZMYQIMVEGY-UHFFFAOYSA-N 1 0 382.493 2.077 50 0 GEAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000036489982 570724898 /nfs/dbraw/zinc/72/48/98/570724898.db2.gz TYBPKEUPKVXYGK-BEFAXECRSA-N 1 0 387.505 2.348 50 0 GEAARO CCCN1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256243 570755275 /nfs/dbraw/zinc/75/52/75/570755275.db2.gz BUUPRQQXMZGHAA-NRFANRHFSA-N 1 0 393.535 2.400 50 0 GEAARO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000032772660 570805778 /nfs/dbraw/zinc/80/57/78/570805778.db2.gz QYJVGOMYLVGPLR-CQSZACIVSA-N 1 0 390.908 2.450 50 0 GEAARO CCC[NH+](CCC)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 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COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110796885 570952937 /nfs/dbraw/zinc/95/29/37/570952937.db2.gz KPLOGWYZDXVENS-SECBINFHSA-N 1 0 397.722 2.389 50 0 GEAARO COCC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CCSC1 ZINC000252476948 570965877 /nfs/dbraw/zinc/96/58/77/570965877.db2.gz FIAVDHRVGUGREJ-MJGOQNOKSA-N 1 0 377.554 2.083 50 0 GEAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)nnn1-c1ccc(OC(F)F)cc1 ZINC000108763447 570991189 /nfs/dbraw/zinc/99/11/89/570991189.db2.gz UOAWDXYNKVRUJD-UHFFFAOYSA-N 1 0 379.411 2.343 50 0 GEAARO CSc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000019535192 570999809 /nfs/dbraw/zinc/99/98/09/570999809.db2.gz CXGSZGKLWVDIQX-PMACEKPBSA-N 1 0 384.549 2.171 50 0 GEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3cc4ccccc4cn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091255333 571001685 /nfs/dbraw/zinc/00/16/85/571001685.db2.gz WUGSVHIUIZKBSD-WOUAJJJCSA-N 1 0 383.492 2.025 50 0 GEAARO CC(=O)N1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)Oc2ccccc21 ZINC000012751998 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CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC ZINC000011840552 221131308 /nfs/dbraw/zinc/13/13/08/221131308.db2.gz XEPQEGRHLLYDKX-LJQANCHMSA-N 1 0 390.528 2.142 50 0 GEAARO O=C(CN1CCOC1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011946746 221140121 /nfs/dbraw/zinc/14/01/21/221140121.db2.gz SWHBNVUPJHSJHP-HXUWFJFHSA-N 1 0 393.434 2.232 50 0 GEAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000011951848 221140435 /nfs/dbraw/zinc/14/04/35/221140435.db2.gz RSFQTQLJFWPAMR-GOSISDBHSA-N 1 0 382.460 2.400 50 0 GEAARO O=C(COc1ccc(N2CCCC2)nn1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012034229 221145275 /nfs/dbraw/zinc/14/52/75/221145275.db2.gz WBBCZJDQWYSCQX-LJQANCHMSA-N 1 0 395.507 2.236 50 0 GEAARO CN(C)C(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012093882 221150865 /nfs/dbraw/zinc/15/08/65/221150865.db2.gz PRLJBNYWQPEDCG-SFHVURJKSA-N 1 0 377.504 2.407 50 0 GEAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C[C@@H]1COCCO1 ZINC000012302687 221178500 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GEAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)[NH+]2CCCC2)cc1 ZINC000012993091 221254026 /nfs/dbraw/zinc/25/40/26/221254026.db2.gz HFVRILFIWPWXNQ-FQEVSTJZSA-N 1 0 392.463 2.238 50 0 GEAARO Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nn21 ZINC000013644689 221277833 /nfs/dbraw/zinc/27/78/33/221277833.db2.gz HLOYFOLFHNMWNG-MQVJKMGUSA-N 1 0 393.495 2.102 50 0 GEAARO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000013380865 221267818 /nfs/dbraw/zinc/26/78/18/221267818.db2.gz SRKHGHLMEDVZRX-IHGKUHQXSA-N 1 0 398.459 2.071 50 0 GEAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014540666 221312144 /nfs/dbraw/zinc/31/21/44/221312144.db2.gz CZXBLIFQJGWZKK-INIZCTEOSA-N 1 0 388.512 2.395 50 0 GEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC000014753878 221315453 /nfs/dbraw/zinc/31/54/53/221315453.db2.gz CFHZVLGTEUDVOG-IBGZPJMESA-N 1 0 396.535 2.491 50 0 GEAARO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000014955760 221321047 /nfs/dbraw/zinc/32/10/47/221321047.db2.gz MHAHMGGTVODQKJ-SFHVURJKSA-N 1 0 376.497 2.361 50 0 GEAARO Cc1c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015065501 221329629 /nfs/dbraw/zinc/32/96/29/221329629.db2.gz JISLVKNDOXJTIE-KRWDZBQOSA-N 1 0 378.480 2.033 50 0 GEAARO CCN(Cc1nccn1C)C(=O)c1ccc(N(C)C[C@H]2CCCC[N@@H+]2C)nc1 ZINC000015069521 221329664 /nfs/dbraw/zinc/32/96/64/221329664.db2.gz SLAHACRLPPTJQI-GOSISDBHSA-N 1 0 384.528 2.398 50 0 GEAARO CN1c2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2C(C)(C)C1=O ZINC000015822434 221345422 /nfs/dbraw/zinc/34/54/22/221345422.db2.gz VYNJTJBQXHADCK-UHFFFAOYSA-N 1 0 379.526 2.095 50 0 GEAARO CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+]1CCCCC1 ZINC000015883697 221351155 /nfs/dbraw/zinc/35/11/55/221351155.db2.gz ARFAFDCYYOWYFV-UHFFFAOYSA-N 1 0 390.553 2.409 50 0 GEAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000017812384 221385052 /nfs/dbraw/zinc/38/50/52/221385052.db2.gz KEECHGGWDUHDNN-UHFFFAOYSA-N 1 0 381.542 2.323 50 0 GEAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 ZINC000018223090 221390860 /nfs/dbraw/zinc/39/08/60/221390860.db2.gz QKRPXDDWEYEHBP-QGZVFWFLSA-N 1 0 377.400 2.361 50 0 GEAARO COc1ccc(C(=O)N2CCN(C(=O)NC(C)(C)C[NH+]3CCCC3)CC2)cc1 ZINC000426521229 533301377 /nfs/dbraw/zinc/30/13/77/533301377.db2.gz LXOIRVDUXUNJKP-UHFFFAOYSA-N 1 0 388.512 2.037 50 0 GEAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Br)o2)CC1 ZINC000058192962 136154931 /nfs/dbraw/zinc/15/49/31/136154931.db2.gz QIEXJQYROZMSNY-UHFFFAOYSA-N 1 0 379.258 2.119 50 0 GEAARO c1ccc(-c2nnn(CCCCC[NH+]3CCN(c4ncccn4)CC3)n2)cc1 ZINC000058378457 136155413 /nfs/dbraw/zinc/15/54/13/136155413.db2.gz ITQNETBKYIYQIF-UHFFFAOYSA-N 1 0 378.484 2.123 50 0 GEAARO COCCc1noc([C@H]2CCCCN2c2nc(CC[NH3+])nc3ccccc32)n1 ZINC000065398614 136163899 /nfs/dbraw/zinc/16/38/99/136163899.db2.gz RHAGVNGMJCSVFX-MRXNPFEDSA-N 1 0 382.468 2.435 50 0 GEAARO Cc1cc(-n2cnnc2CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)n(C)n1 ZINC000067675575 136164778 /nfs/dbraw/zinc/16/47/78/136164778.db2.gz HQBMQUNENATUAY-UHFFFAOYSA-N 1 0 385.903 2.327 50 0 GEAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nn1 ZINC000071730468 136165732 /nfs/dbraw/zinc/16/57/32/136165732.db2.gz BJOFSIXOIMCMDR-GOSISDBHSA-N 1 0 394.523 2.177 50 0 GEAARO CNc1cc(C)[nH+]c(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 ZINC000071745257 136165977 /nfs/dbraw/zinc/16/59/77/136165977.db2.gz XCMYFTYHBKWYCG-UHFFFAOYSA-N 1 0 379.468 2.144 50 0 GEAARO Cc1nc2c(c(N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)n1)CC[NH2+]C2 ZINC000071760211 136166095 /nfs/dbraw/zinc/16/60/95/136166095.db2.gz PZGGCEUOWDVWCL-OAHLLOKOSA-N 1 0 377.452 2.260 50 0 GEAARO CC(C)c1cc(N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)nc(C(F)(F)F)n1 ZINC000071760450 136166233 /nfs/dbraw/zinc/16/62/33/136166233.db2.gz DYDZXABJDLBVTF-HUUCEWRRSA-N 1 0 388.434 2.015 50 0 GEAARO CC(=O)NCCN1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072166821 136167362 /nfs/dbraw/zinc/16/73/62/136167362.db2.gz IBCCDMKQNAKNMP-IBGZPJMESA-N 1 0 398.473 2.428 50 0 GEAARO CC(C)[NH+]1CCC(N2CCN(c3ncnc4ccsc43)C[C@@H]2CCO)CC1 ZINC000072467909 136171161 /nfs/dbraw/zinc/17/11/61/136171161.db2.gz IMUGGYMOOUOMNJ-KRWDZBQOSA-N 1 0 389.569 2.437 50 0 GEAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000095521199 136181244 /nfs/dbraw/zinc/18/12/44/136181244.db2.gz DWNKTIIBTKZDDA-LJQANCHMSA-N 1 0 396.539 2.454 50 0 GEAARO C[NH+]1CCC(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn32)CC1 ZINC000036619364 221861869 /nfs/dbraw/zinc/86/18/69/221861869.db2.gz HIDOSZSNPZIZEO-UHFFFAOYSA-N 1 0 382.443 2.392 50 0 GEAARO C[C@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000040108169 221906931 /nfs/dbraw/zinc/90/69/31/221906931.db2.gz DBBLQSYTFPXHGK-INIZCTEOSA-N 1 0 378.492 2.253 50 0 GEAARO COc1ccc(CNC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000052003542 222006810 /nfs/dbraw/zinc/00/68/10/222006810.db2.gz TWHDWTDEKSHVTP-UHFFFAOYSA-N 1 0 375.513 2.270 50 0 GEAARO CNS(=O)(=O)c1ccc(C[N@H+](CCO)Cc2ccc(SC)cc2)cc1 ZINC000055358130 222020896 /nfs/dbraw/zinc/02/08/96/222020896.db2.gz GSBBCANECXUVKN-UHFFFAOYSA-N 1 0 380.535 2.311 50 0 GEAARO CCNC(=O)c1c2c(sc1NC(=O)[C@@H]([NH3+])Cc1cscn1)CCCC2 ZINC000055413874 222022143 /nfs/dbraw/zinc/02/21/43/222022143.db2.gz RHTQJDZAWUFCNE-LBPRGKRZSA-N 1 0 378.523 2.342 50 0 GEAARO COCCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000058131340 222039141 /nfs/dbraw/zinc/03/91/41/222039141.db2.gz RTRRQCNSXUGFIS-UHFFFAOYSA-N 1 0 385.468 2.288 50 0 GEAARO CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000058316131 222049397 /nfs/dbraw/zinc/04/93/97/222049397.db2.gz KFPDHYZPZSYHHW-WOJBJXKFSA-N 1 0 378.513 2.463 50 0 GEAARO COCCC[N@@H+]1Cc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 ZINC000058330308 222049858 /nfs/dbraw/zinc/04/98/58/222049858.db2.gz QVSPSSZSPUPRJL-UHFFFAOYSA-N 1 0 378.436 2.267 50 0 GEAARO CC[C@H](C(=O)NCC[NH+]1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787520 222081731 /nfs/dbraw/zinc/08/17/31/222081731.db2.gz QBTRUHLUAWGOSE-QGZVFWFLSA-N 1 0 381.480 2.051 50 0 GEAARO C[C@H](C(=O)NCCC[NH+]1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776035 222082734 /nfs/dbraw/zinc/08/27/34/222082734.db2.gz CHEMOFCPLAOLPH-MRXNPFEDSA-N 1 0 395.507 2.441 50 0 GEAARO CC1(C)CC(=O)c2cnc3c(C(=O)NCC[NH+]4CCCCCC4)cnn3c2C1 ZINC000064987472 222092322 /nfs/dbraw/zinc/09/23/22/222092322.db2.gz AOBDEUHTJQILJR-UHFFFAOYSA-N 1 0 383.496 2.490 50 0 GEAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(Cc3ccccn3)CC2)CC1 ZINC000071748021 222189243 /nfs/dbraw/zinc/18/92/43/222189243.db2.gz KGLKFNIMJIVMDH-OAQYLSRUSA-N 1 0 386.540 2.053 50 0 GEAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000065329562 222122866 /nfs/dbraw/zinc/12/28/66/222122866.db2.gz AMASODLUFIZSCW-QGZVFWFLSA-N 1 0 394.475 2.395 50 0 GEAARO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000065363785 222125200 /nfs/dbraw/zinc/12/52/00/222125200.db2.gz QIZGACAAJZDFTR-CYBMUJFWSA-N 1 0 387.933 2.013 50 0 GEAARO C[NH+]1CCC(n2ncc3c2NC(=O)C[C@H]3Cn2c3ccccc3oc2=O)CC1 ZINC000065461230 222129122 /nfs/dbraw/zinc/12/91/22/222129122.db2.gz HAQUAOBPGJHJSB-ZDUSSCGKSA-N 1 0 381.436 2.184 50 0 GEAARO Cn1cnc(NC(=O)c2cccc(C[NH+]3CCC(Cn4cccn4)CC3)c2)n1 ZINC000065501504 222131159 /nfs/dbraw/zinc/13/11/59/222131159.db2.gz NPTVTLKPBHQYAS-UHFFFAOYSA-N 1 0 379.468 2.176 50 0 GEAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750523 222189633 /nfs/dbraw/zinc/18/96/33/222189633.db2.gz SVTPPLNEAYZFAP-SFHVURJKSA-N 1 0 386.540 2.447 50 0 GEAARO COc1c(F)c(F)c(CN2C(=O)N[C@@](C)(C3CC[NH2+]CC3)C2=O)c(F)c1F ZINC000067605515 222149032 /nfs/dbraw/zinc/14/90/32/222149032.db2.gz RNCLMMPXJZVPJA-KRWDZBQOSA-N 1 0 389.349 2.062 50 0 GEAARO C[C@H](CO)NC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000071747093 222190279 /nfs/dbraw/zinc/19/02/79/222190279.db2.gz DXAVPQCFVUPOQL-OAHLLOKOSA-N 1 0 386.496 2.006 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3OC)CC2)C1 ZINC000067643437 222152901 /nfs/dbraw/zinc/15/29/01/222152901.db2.gz YROBQDGMBJEYGS-LJQANCHMSA-N 1 0 389.540 2.134 50 0 GEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)Cc3cccnc3)C2=O)c1 ZINC000067654729 222153775 /nfs/dbraw/zinc/15/37/75/222153775.db2.gz CBUNKZMAZOQSAJ-NRFANRHFSA-N 1 0 387.455 2.215 50 0 GEAARO C[NH2+]CCNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067740687 222157172 /nfs/dbraw/zinc/15/71/72/222157172.db2.gz STPNRBDRUPIRID-UHFFFAOYSA-N 1 0 379.508 2.184 50 0 GEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccc(C)o3)C2=O)c1 ZINC000067741677 222157752 /nfs/dbraw/zinc/15/77/52/222157752.db2.gz SZNYXDZDRJXXPY-HXUWFJFHSA-N 1 0 376.428 2.379 50 0 GEAARO CN1CCN(C(=O)C[NH2+][C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000068204276 222171739 /nfs/dbraw/zinc/17/17/39/222171739.db2.gz YAMSXCOVJUUMCT-YADHBBJMSA-N 1 0 379.504 2.485 50 0 in-vitro GEAARO COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310416 222180881 /nfs/dbraw/zinc/18/08/81/222180881.db2.gz AJQRQMOBDMCLJJ-SECBINFHSA-N 1 0 383.695 2.094 50 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Cc1cccc(-c2noc(CN(C)C(=O)Cn3nccc3[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000426580922 534561560 /nfs/dbraw/zinc/56/15/60/534561560.db2.gz DUPBHWXYJWKNGK-QGZVFWFLSA-N 1 0 394.479 2.367 50 0 GEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCC[C@H](CN2CCCC2=O)C1 ZINC000426478112 534617017 /nfs/dbraw/zinc/61/70/17/534617017.db2.gz XZGKBGFQCPEYSD-OAHLLOKOSA-N 1 0 377.460 2.028 50 0 GEAARO [NH3+]CCOc1cccc(CC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)c1 ZINC000426421817 534637948 /nfs/dbraw/zinc/63/79/48/534637948.db2.gz JNGNNWUYAZDYRC-QFIPXVFZSA-N 1 0 376.460 2.395 50 0 GEAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000426509887 534687881 /nfs/dbraw/zinc/68/78/81/534687881.db2.gz FJGIFVPZEAFZSJ-INIZCTEOSA-N 1 0 381.484 2.327 50 0 GEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000009156655 527138304 /nfs/dbraw/zinc/13/83/04/527138304.db2.gz HNLQMBWWQUAFFV-IBGZPJMESA-N 1 0 390.447 2.134 50 0 GEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)C1 ZINC000082092442 535212102 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50 0 GEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000237358294 570346030 /nfs/dbraw/zinc/34/60/30/570346030.db2.gz WOWOHMBUNIHEFX-UHFFFAOYSA-N 1 0 377.304 2.078 50 0 GEAARO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1c2cc(C)nn2CCC1=O ZINC000035374395 570346422 /nfs/dbraw/zinc/34/64/22/570346422.db2.gz CMVRXKPVVSWUGO-LJQANCHMSA-N 1 0 397.523 2.345 50 0 GEAARO O=C(CN1C(=O)CCCC1=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000023158349 570347387 /nfs/dbraw/zinc/34/73/87/570347387.db2.gz RUAJNLJBTPYUGX-QHCPKHFHSA-N 1 0 397.519 2.430 50 0 GEAARO CC(C)[NH+](CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(C)C ZINC000023179648 570348012 /nfs/dbraw/zinc/34/80/12/570348012.db2.gz JYFXQJNPIOXUMI-OAHLLOKOSA-N 1 0 381.542 2.246 50 0 GEAARO COc1cc(-c2noc(CCC(=O)N3CCC[C@H]3C[NH3+])n2)cc(Cl)c1OC ZINC000237400739 570349485 /nfs/dbraw/zinc/34/94/85/570349485.db2.gz RLXKMLZXMJLMKM-LBPRGKRZSA-N 1 0 394.859 2.290 50 0 GEAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000023340116 570355689 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GEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(C)C ZINC000024709717 570390375 /nfs/dbraw/zinc/39/03/75/570390375.db2.gz GMCDHIYTOHDLCA-IBGZPJMESA-N 1 0 395.569 2.495 50 0 GEAARO Cc1ccc(Cn2ncc3ccc(C(=O)NCCN4CC[NH+](C)CC4)cc32)cc1 ZINC000035560112 570396693 /nfs/dbraw/zinc/39/66/93/570396693.db2.gz VOYZFANWFGDIRZ-UHFFFAOYSA-N 1 0 391.519 2.370 50 0 GEAARO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(F)cc1F ZINC000025067966 570405448 /nfs/dbraw/zinc/40/54/48/570405448.db2.gz MESJTAUPSJXESV-UHFFFAOYSA-N 1 0 383.420 2.073 50 0 GEAARO CCN(C)S(=O)(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000244723466 570433212 /nfs/dbraw/zinc/43/32/12/570433212.db2.gz MBZSNAVEGNUTMO-QGZVFWFLSA-N 1 0 383.558 2.078 50 0 GEAARO Cc1ccc(N2CC[C@@H](CNC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)C2)cc1 ZINC000244795095 570433604 /nfs/dbraw/zinc/43/36/04/570433604.db2.gz QZJHCXZYCHMUSI-JENIJYKNSA-N 1 0 382.512 2.285 50 0 GEAARO 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COc1ccc(CC[NH2+]C[C@@H](O)COCc2ccc(OC)c(OC)c2)cc1 ZINC000006590294 570487156 /nfs/dbraw/zinc/48/71/56/570487156.db2.gz APWZAQJVPJBEIN-GOSISDBHSA-N 1 0 375.465 2.422 50 0 GEAARO C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030319368 570488256 /nfs/dbraw/zinc/48/82/56/570488256.db2.gz BJRMPQJMASFPAJ-IENJSVCTSA-N 1 0 377.488 2.379 50 0 GEAARO O=C(NCCC[NH+]1CCCCCC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005195191 570499755 /nfs/dbraw/zinc/49/97/55/570499755.db2.gz AOASVFHKPUQACA-KRWDZBQOSA-N 1 0 376.476 2.496 50 0 GEAARO COCCn1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1=O ZINC000072309356 570531316 /nfs/dbraw/zinc/53/13/16/570531316.db2.gz SNPZNSHSCZZKBS-QGZVFWFLSA-N 1 0 377.872 2.181 50 0 GEAARO CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](COC)Cc1ccccc1 ZINC000072309413 570531372 /nfs/dbraw/zinc/53/13/72/570531372.db2.gz CLFWAWSFEDIDSX-HXUWFJFHSA-N 1 0 390.524 2.368 50 0 GEAARO O=C1C[C@H](N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)C(=O)N1c1ccccc1 ZINC000100746467 570542048 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CCOC(=O)N1CCC(N2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)CC1 ZINC000039531336 570593441 /nfs/dbraw/zinc/59/34/41/570593441.db2.gz GEVYKBMUBVGFRW-OAQYLSRUSA-N 1 0 389.540 2.219 50 0 GEAARO CC[C@@H](O)CN1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(OC)cc2)C1 ZINC000169679320 570600531 /nfs/dbraw/zinc/60/05/31/570600531.db2.gz LCKMYWRDBIVLSV-UYAOXDASSA-N 1 0 378.513 2.265 50 0 GEAARO Cc1nccn1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000042496570 570620516 /nfs/dbraw/zinc/62/05/16/570620516.db2.gz JSHOPAOHVNQDQP-OAQYLSRUSA-N 1 0 381.524 2.395 50 0 GEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000043730358 570630105 /nfs/dbraw/zinc/63/01/05/570630105.db2.gz FWFOKESFNUMURE-KNODPMPASA-N 1 0 387.455 2.391 50 0 GEAARO Cc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cc(F)cc(F)c2)c1 ZINC000033032870 570670039 /nfs/dbraw/zinc/67/00/39/570670039.db2.gz VPZFYSGMAHUBCA-UHFFFAOYSA-N 1 0 387.430 2.347 50 0 GEAARO COc1cccc(CN2CCN(C(=O)C(C)(C)C)CC2)c1OCC[NH+](C)C ZINC000055072661 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C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000058082695 222039400 /nfs/dbraw/zinc/03/94/00/222039400.db2.gz IDVWORYHHGMJQI-CQSZACIVSA-N 1 0 388.443 2.318 50 0 GEAARO O[C@H](CN1CCOCC1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058120615 222039857 /nfs/dbraw/zinc/03/98/57/222039857.db2.gz RJSXYSSAOKUVLJ-QHCPKHFHSA-N 1 0 395.547 2.087 50 0 GEAARO Cc1occc1C(=O)NCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000058195331 222043177 /nfs/dbraw/zinc/04/31/77/222043177.db2.gz PARMJCKLTUGGRL-UHFFFAOYSA-N 1 0 375.494 2.408 50 0 GEAARO CC(C)[C@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000058316126 222049182 /nfs/dbraw/zinc/04/91/82/222049182.db2.gz KFPDHYZPZSYHHW-UXHICEINSA-N 1 0 378.513 2.463 50 0 GEAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)[NH+](C)C)c1 ZINC000058896574 222056448 /nfs/dbraw/zinc/05/64/48/222056448.db2.gz PYIDCVXZFLFFIK-LJQANCHMSA-N 1 0 395.467 2.404 50 0 GEAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000065245902 222114324 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TWCFZQLEHPDOAR-UHFFFAOYSA-N 1 0 376.464 2.015 50 0 GEAARO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NCc3cc(C)no3)c2C)C1 ZINC000069596545 222174024 /nfs/dbraw/zinc/17/40/24/222174024.db2.gz PPFVGKALLFMBBI-UHFFFAOYSA-N 1 0 380.452 2.180 50 0 GEAARO CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCOCC1 ZINC000070009139 222176024 /nfs/dbraw/zinc/17/60/24/222176024.db2.gz LFALGAOBICEHMR-LEWJYISDSA-N 1 0 388.556 2.157 50 0 GEAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000070922206 222176959 /nfs/dbraw/zinc/17/69/59/222176959.db2.gz FSRFNYKBIUAFGF-UHFFFAOYSA-N 1 0 389.477 2.048 50 0 GEAARO COc1ccnc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419558 222183243 /nfs/dbraw/zinc/18/32/43/222183243.db2.gz OAZCBPFCWDWKOH-SFHVURJKSA-N 1 0 386.540 2.389 50 0 GEAARO O=C(NCc1ccncc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071575691 222185548 /nfs/dbraw/zinc/18/55/48/222185548.db2.gz QTCRCQASGUWSJW-NRFANRHFSA-N 1 0 393.535 2.469 50 0 GEAARO O=C(NCc1ccc(O)cc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071746039 222186903 /nfs/dbraw/zinc/18/69/03/222186903.db2.gz IRZDXWIKZPCWHY-SFHVURJKSA-N 1 0 385.508 2.121 50 0 GEAARO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCC[C@H]2CCC[N@H+]2C)C1 ZINC000071714514 222187682 /nfs/dbraw/zinc/18/76/82/222187682.db2.gz FMHSBZBLGQEQBY-QGZVFWFLSA-N 1 0 380.496 2.339 50 0 GEAARO Cc1cnccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071747126 222189023 /nfs/dbraw/zinc/18/90/23/222189023.db2.gz KIQFTZRAPHDYCI-LJQANCHMSA-N 1 0 384.524 2.119 50 0 GEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000071752646 222192231 /nfs/dbraw/zinc/19/22/31/222192231.db2.gz ARLGOJOVILLVNX-FQEVSTJZSA-N 1 0 393.535 2.469 50 0 GEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000071774499 222197480 /nfs/dbraw/zinc/19/74/80/222197480.db2.gz SBXFZXKBJWWMPH-GOSISDBHSA-N 1 0 384.524 2.201 50 0 GEAARO [NH3+][C@H]1CCCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1 ZINC000072133697 222211314 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GEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3OC)CC2)C1 ZINC000067643439 222151569 /nfs/dbraw/zinc/15/15/69/222151569.db2.gz YROBQDGMBJEYGS-IBGZPJMESA-N 1 0 389.540 2.134 50 0 GEAARO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067650166 222152311 /nfs/dbraw/zinc/15/23/11/222152311.db2.gz KCGXJPDRMMTOJG-UHFFFAOYSA-N 1 0 378.904 2.150 50 0 GEAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642715 222152867 /nfs/dbraw/zinc/15/28/67/222152867.db2.gz TUCMASXXCIWBFE-IBGZPJMESA-N 1 0 388.556 2.083 50 0 GEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cnn2c1 ZINC000067713739 222155466 /nfs/dbraw/zinc/15/54/66/222155466.db2.gz KWEFANOIDSNFLT-QGZVFWFLSA-N 1 0 395.511 2.320 50 0 GEAARO COc1cccc(CN2CCC[C@@](O)(C[NH+]3CCCCCC3)C2=O)c1OC ZINC000067757280 222158020 /nfs/dbraw/zinc/15/80/20/222158020.db2.gz MTBVVJZJQNSFBF-OAQYLSRUSA-N 1 0 376.497 2.433 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000067867473 222163442 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GEAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCCNC(=O)c2ccsc2)C[C@@H](C)O1 ZINC000069929050 222175091 /nfs/dbraw/zinc/17/50/91/222175091.db2.gz CJGYUPCQDMUKNS-NUJGCVRESA-N 1 0 393.553 2.358 50 0 GEAARO CC(C)[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCC[N@@H+]1CC1CC1 ZINC000071388705 222184313 /nfs/dbraw/zinc/18/43/13/222184313.db2.gz AJVQSFVBRBMCLJ-FQEVSTJZSA-N 1 0 382.508 2.365 50 0 GEAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nccc4occc43)CC2)C1)N1CCOCC1 ZINC000071575633 222186135 /nfs/dbraw/zinc/18/61/35/222186135.db2.gz KGRYDGHSQBYEON-KRWDZBQOSA-N 1 0 398.507 2.367 50 0 GEAARO Cc1cnccc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071735667 222188083 /nfs/dbraw/zinc/18/80/83/222188083.db2.gz UDOTUADQLMXWLC-FQEVSTJZSA-N 1 0 398.551 2.461 50 0 GEAARO Cc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071757313 222193324 /nfs/dbraw/zinc/19/33/24/222193324.db2.gz AEHTZRBAKQMASQ-AWEZNQCLSA-N 1 0 376.526 2.047 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3C)CC2)C1 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Cc1nc2ncccn2c1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072436763 222261501 /nfs/dbraw/zinc/26/15/01/222261501.db2.gz SSBJGFDWKSHGMF-IBGZPJMESA-N 1 0 375.476 2.353 50 0 GEAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H](O)CO)cc1 ZINC000072454347 222262405 /nfs/dbraw/zinc/26/24/05/222262405.db2.gz AXOGWWUQEPGFMP-QGZVFWFLSA-N 1 0 385.439 2.472 50 0 GEAARO COc1ccc2c(c1)cc(C[N@@H+]1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)c(=O)n2C ZINC000085878316 222325638 /nfs/dbraw/zinc/32/56/38/222325638.db2.gz XYJAPFGBEOKPQM-WBVHZDCISA-N 1 0 391.471 2.328 50 0 GEAARO O=C(CCN1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095496844 222332305 /nfs/dbraw/zinc/33/23/05/222332305.db2.gz WMEMCGZSOLRPLC-FCHUYYIVSA-N 1 0 385.552 2.264 50 0 GEAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3N)C2)c1 ZINC000095497244 222332349 /nfs/dbraw/zinc/33/23/49/222332349.db2.gz JZTSGOIYYKILQT-OAHLLOKOSA-N 1 0 384.480 2.323 50 0 GEAARO COc1cc(C[N@H+](C)CC2CCCC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095498578 222332623 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NKWYVUKDJYJIOK-QGZVFWFLSA-N 1 0 394.523 2.269 50 0 GEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000072163459 136167317 /nfs/dbraw/zinc/16/73/17/136167317.db2.gz VRRKWDYVNMVOGR-QGZVFWFLSA-N 1 0 384.528 2.304 50 0 GEAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3cccc(Cl)n3)CC2)C1)N1CCOCC1 ZINC000082098095 136173631 /nfs/dbraw/zinc/17/36/31/136173631.db2.gz DOZWMVIWMRWTLC-INIZCTEOSA-N 1 0 392.931 2.275 50 0 GEAARO Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082157080 136174174 /nfs/dbraw/zinc/17/41/74/136174174.db2.gz UFFFKKOHLPZQLG-GOSISDBHSA-N 1 0 394.523 2.177 50 0 GEAARO Cc1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000091486034 136176374 /nfs/dbraw/zinc/17/63/74/136176374.db2.gz BGGWZTOMPZVKLB-QGZVFWFLSA-N 1 0 387.528 2.239 50 0 GEAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387298 136186832 /nfs/dbraw/zinc/18/68/32/136186832.db2.gz NOGMJVVYTGWNGZ-KRWDZBQOSA-N 1 0 382.512 2.233 50 0 GEAARO CCc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)nc(C)n1 ZINC000106983993 136191671 /nfs/dbraw/zinc/19/16/71/136191671.db2.gz YVECIPRODPDYEG-FQEVSTJZSA-N 1 0 375.561 2.093 50 0 GEAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000007109195 136195166 /nfs/dbraw/zinc/19/51/66/136195166.db2.gz DBHYSVQEVWWUFW-UHFFFAOYSA-N 1 0 389.477 2.010 50 0 GEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(C)C ZINC000031386729 221709965 /nfs/dbraw/zinc/70/99/65/221709965.db2.gz OXOXUEMYZKWQGF-NVXWUHKLSA-N 1 0 389.496 2.251 50 0 GEAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000039992458 221895231 /nfs/dbraw/zinc/89/52/31/221895231.db2.gz WNUYYDFJEGBMOQ-UHFFFAOYSA-N 1 0 387.505 2.493 50 0 GEAARO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000040157070 221915617 /nfs/dbraw/zinc/91/56/17/221915617.db2.gz COAYMBSDEZHXBB-UHFFFAOYSA-N 1 0 393.553 2.203 50 0 GEAARO CCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000049930748 222002843 /nfs/dbraw/zinc/00/28/43/222002843.db2.gz MODBRRFYWBDJKY-CYBMUJFWSA-N 1 0 382.302 2.122 50 0 GEAARO CS(=O)(=O)Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055104954 222016363 /nfs/dbraw/zinc/01/63/63/222016363.db2.gz RANMUPICKSVFRC-UHFFFAOYSA-N 1 0 387.505 2.453 50 0 GEAARO CCOC(=O)C1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441185 222054503 /nfs/dbraw/zinc/05/45/03/222054503.db2.gz WBTFWQUUBCFYDB-PXNSSMCTSA-N 1 0 387.524 2.041 50 0 GEAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCN1C(=O)CCC1=O ZINC000061308152 222061765 /nfs/dbraw/zinc/06/17/65/222061765.db2.gz SUKJICGDLNVRHV-UHFFFAOYSA-N 1 0 375.494 2.021 50 0 GEAARO Cn1nnnc1SCC[NH2+]Cc1cccc(-c2cc(N3CCCC3)cnn2)c1 ZINC000063885234 222068652 /nfs/dbraw/zinc/06/86/52/222068652.db2.gz CSUPZEYECPRAJF-UHFFFAOYSA-N 1 0 396.524 2.149 50 0 GEAARO COc1ccc(-c2nnc(N3CCC(C(=O)N4CCC[N@H+](C)CC4)CC3)o2)cc1 ZINC000065229660 222113126 /nfs/dbraw/zinc/11/31/26/222113126.db2.gz KPLCETDHDWWXIL-UHFFFAOYSA-N 1 0 399.495 2.126 50 0 GEAARO O=C(CCNc1cnc2cnccn12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064758193 222080691 /nfs/dbraw/zinc/08/06/91/222080691.db2.gz VCGPCMMOPOQNEA-UHFFFAOYSA-N 1 0 378.480 2.312 50 0 GEAARO CC[C@@H](C(=O)NCCC[NH+]1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787508 222081750 /nfs/dbraw/zinc/08/17/50/222081750.db2.gz QQAJMVXEASJUCK-SFHVURJKSA-N 1 0 395.507 2.441 50 0 GEAARO COCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071749458 222189121 /nfs/dbraw/zinc/18/91/21/222189121.db2.gz FUVNKKDDCLCXAP-FQEVSTJZSA-N 1 0 388.556 2.253 50 0 GEAARO CN1c2ccccc2[C@@](CC(=O)NC2CC[NH2+]CC2)(Cc2ccccc2)C1=O ZINC000071747904 222189349 /nfs/dbraw/zinc/18/93/49/222189349.db2.gz PEXUHPHZAFQPQG-QHCPKHFHSA-N 1 0 377.488 2.402 50 0 GEAARO C[NH+]1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000065361873 222124528 /nfs/dbraw/zinc/12/45/28/222124528.db2.gz KSKBTRAJPGDHCT-UHFFFAOYSA-N 1 0 387.505 2.092 50 0 GEAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CNS(=O)(=O)c1cccs1 ZINC000065394545 222126234 /nfs/dbraw/zinc/12/62/34/222126234.db2.gz GJLCCKBOWMRZPU-UHFFFAOYSA-N 1 0 375.479 2.388 50 0 GEAARO Cc1csc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000071747570 222189511 /nfs/dbraw/zinc/18/95/11/222189511.db2.gz MXLLVIANIVJCJQ-MRXNPFEDSA-N 1 0 390.553 2.181 50 0 GEAARO Cc1ncc(C[NH+]2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)cn1 ZINC000067490273 222147857 /nfs/dbraw/zinc/14/78/57/222147857.db2.gz IGKQHSDOPUFUMY-UHFFFAOYSA-N 1 0 378.480 2.108 50 0 GEAARO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000067604258 222150069 /nfs/dbraw/zinc/15/00/69/222150069.db2.gz XCWPYUNMWVKEHQ-HZPDHXFCSA-N 1 0 393.553 2.242 50 0 GEAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3cccs3)C2=O)c1OC ZINC000067675055 222154518 /nfs/dbraw/zinc/15/45/18/222154518.db2.gz ZOFLQGUMRNPOCE-HXUWFJFHSA-N 1 0 390.505 2.409 50 0 GEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3cccc(C)n3)C2=O)c1 ZINC000067713130 222155216 /nfs/dbraw/zinc/15/52/16/222155216.db2.gz AQZCEFKUOMNCCG-OAQYLSRUSA-N 1 0 387.455 2.181 50 0 GEAARO C[NH+]1CCC(O)(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)CC1 ZINC000067713443 222155870 /nfs/dbraw/zinc/15/58/70/222155870.db2.gz MBAZRQPPYKDPQM-UHFFFAOYSA-N 1 0 399.491 2.319 50 0 GEAARO NC(=O)CCC1CC[NH+](C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1 ZINC000067725943 222157783 /nfs/dbraw/zinc/15/77/83/222157783.db2.gz HSSZZZIVPMOZQE-JOCHJYFZSA-N 1 0 393.572 2.288 50 0 GEAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)C1=O ZINC000067790044 222158738 /nfs/dbraw/zinc/15/87/38/222158738.db2.gz SNOKGXYZFXMWGG-OAQYLSRUSA-N 1 0 378.488 2.080 50 0 GEAARO CC(C)C[C@H](NC(=O)c1cnc2ccccc2c1)c1nnc2n1CC[NH2+]CC2 ZINC000067821002 222160946 /nfs/dbraw/zinc/16/09/46/222160946.db2.gz PCBICQLIZFMGKR-SFHVURJKSA-N 1 0 378.480 2.489 50 0 GEAARO O=C([C@H]1C[NH2+]CCO1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067805401 222162184 /nfs/dbraw/zinc/16/21/84/222162184.db2.gz FVISUTNJVNBABV-GOSISDBHSA-N 1 0 388.851 2.422 50 0 GEAARO CC(=O)Nc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000067920050 222167560 /nfs/dbraw/zinc/16/75/60/222167560.db2.gz WGMHEEILAVSOJU-UHFFFAOYSA-N 1 0 381.480 2.030 50 0 GEAARO CC(C)[NH+]1CCC(NC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067975766 222170879 /nfs/dbraw/zinc/17/08/79/222170879.db2.gz WKXKKUGSONITSA-QHCPKHFHSA-N 1 0 387.568 2.435 50 0 GEAARO Cn1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000068927188 222172356 /nfs/dbraw/zinc/17/23/56/222172356.db2.gz VLFSIUBCPBERFO-UHFFFAOYSA-N 1 0 376.460 2.328 50 0 GEAARO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069947931 222175521 /nfs/dbraw/zinc/17/55/21/222175521.db2.gz OATPIWXIZDFCRF-UHFFFAOYSA-N 1 0 388.475 2.421 50 0 GEAARO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069979720 222176089 /nfs/dbraw/zinc/17/60/89/222176089.db2.gz ATONXPXBZFZBNB-SLFFLAALSA-N 1 0 397.519 2.333 50 0 GEAARO CN(Cc1cccc(F)c1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071405802 222183646 /nfs/dbraw/zinc/18/36/46/222183646.db2.gz YEESJCQFNNUQQX-CQSZACIVSA-N 1 0 378.473 2.123 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC000071419080 222184231 /nfs/dbraw/zinc/18/42/31/222184231.db2.gz BXPRYHXJMXDCOO-LJQANCHMSA-N 1 0 387.524 2.074 50 0 GEAARO COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479591 222186321 /nfs/dbraw/zinc/18/63/21/222186321.db2.gz DJEGMQALYFGNHY-LJQANCHMSA-N 1 0 388.556 2.299 50 0 GEAARO COc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071735835 222187118 /nfs/dbraw/zinc/18/71/18/222187118.db2.gz RKFSLXVLHXQIRA-MRXNPFEDSA-N 1 0 385.508 2.290 50 0 GEAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)on1 ZINC000071708072 222187315 /nfs/dbraw/zinc/18/73/15/222187315.db2.gz DKCIBQFMJIONPB-IBGZPJMESA-N 1 0 397.523 2.371 50 0 GEAARO O=C(NCc1ccon1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071707996 222187658 /nfs/dbraw/zinc/18/76/58/222187658.db2.gz XNKHATNAZJOFMT-GOSISDBHSA-N 1 0 383.496 2.062 50 0 GEAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750524 222189099 /nfs/dbraw/zinc/18/90/99/222189099.db2.gz SVTPPLNEAYZFAP-GOSISDBHSA-N 1 0 386.540 2.447 50 0 GEAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)no1 ZINC000071752556 222192170 /nfs/dbraw/zinc/19/21/70/222192170.db2.gz JXCLNBAIFBTOSB-LJQANCHMSA-N 1 0 397.523 2.371 50 0 GEAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)on1 ZINC000071752830 222192375 /nfs/dbraw/zinc/19/23/75/222192375.db2.gz HJLZHCCFCVDNOO-LJQANCHMSA-N 1 0 397.523 2.371 50 0 GEAARO O=C(NCc1cccs1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071751778 222192731 /nfs/dbraw/zinc/19/27/31/222192731.db2.gz YQLROKNJVHKMEV-INIZCTEOSA-N 1 0 375.538 2.477 50 0 GEAARO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)on1 ZINC000071762145 222194400 /nfs/dbraw/zinc/19/44/00/222194400.db2.gz NUCRAUPFTLJLDM-QGZVFWFLSA-N 1 0 388.512 2.054 50 0 GEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071762956 222194519 /nfs/dbraw/zinc/19/45/19/222194519.db2.gz AFRGSPFLBZTGSN-MRXNPFEDSA-N 1 0 386.496 2.271 50 0 GEAARO CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071759854 222194801 /nfs/dbraw/zinc/19/48/01/222194801.db2.gz IKKSOSVSTSVMBB-LJQANCHMSA-N 1 0 397.523 2.405 50 0 GEAARO O=C(NCCc1ccc(O)cc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071767781 222195303 /nfs/dbraw/zinc/19/53/03/222195303.db2.gz XKPMCAPLGSJYLT-IBGZPJMESA-N 1 0 399.535 2.164 50 0 GEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000071768171 222195782 /nfs/dbraw/zinc/19/57/82/222195782.db2.gz DRAVSGATCMOMTG-UHFFFAOYSA-N 1 0 382.508 2.433 50 0 GEAARO O=C(NC1Cc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071764223 222196155 /nfs/dbraw/zinc/19/61/55/222196155.db2.gz DIVCKCCUAFNCFS-HXUWFJFHSA-N 1 0 395.547 2.383 50 0 GEAARO O=C(CCCn1cncn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072120670 222207708 /nfs/dbraw/zinc/20/77/08/222207708.db2.gz STRFQMLFILEQLT-CEWLAPEOSA-N 1 0 383.471 2.286 50 0 GEAARO NC(=O)C1CC[NH+](CCCNc2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC000072158564 222211881 /nfs/dbraw/zinc/21/18/81/222211881.db2.gz XJTWUYPXYKNEKL-UHFFFAOYSA-N 1 0 378.480 2.396 50 0 GEAARO COC(=O)c1cc(N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072153136 222212164 /nfs/dbraw/zinc/21/21/64/222212164.db2.gz XANXDLHIFBXSBQ-MAODMQOUSA-N 1 0 394.475 2.338 50 0 GEAARO O=S(=O)(NC[C@@]1(O)CCC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000072170019 222214528 /nfs/dbraw/zinc/21/45/28/222214528.db2.gz HZJHXZBSPQHUFT-LJQANCHMSA-N 1 0 376.478 2.262 50 0 GEAARO COC(=O)c1sc2ncnc(N3CCC[C@@](O)(C[NH+](C)C)CC3)c2c1C ZINC000072170360 222216286 /nfs/dbraw/zinc/21/62/86/222216286.db2.gz HWYJAWZLADXSJT-SFHVURJKSA-N 1 0 378.498 2.069 50 0 GEAARO CC(C)(C)c1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CC2CCCCC2)[nH]n1 ZINC000072172607 222216942 /nfs/dbraw/zinc/21/69/42/222216942.db2.gz XGEWILVJCKBXPL-QGZVFWFLSA-N 1 0 389.544 2.094 50 0 GEAARO C[NH+](C)Cc1ccc(CNC(=O)CN2CCN(Cc3cccs3)CC2)cc1 ZINC000072318951 222226599 /nfs/dbraw/zinc/22/65/99/222226599.db2.gz XAKZYWCDXJJFIS-UHFFFAOYSA-N 1 0 386.565 2.244 50 0 GEAARO Cc1nnc(CCC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]1 ZINC000072429958 222259902 /nfs/dbraw/zinc/25/99/02/222259902.db2.gz AIVLWNYGROIHRF-STZQEDGTSA-N 1 0 379.508 2.443 50 0 GEAARO Cc1ccc(N2CC[C@H](CNC(=O)CCc3cc4n(n3)CCC[NH2+]C4)C2)cc1 ZINC000072467970 222263422 /nfs/dbraw/zinc/26/34/22/222263422.db2.gz ZVUNNTYBWRMXER-GOSISDBHSA-N 1 0 381.524 2.260 50 0 GEAARO CN(C)c1ncccc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)c(Cl)c1 ZINC000089314338 222327912 /nfs/dbraw/zinc/32/79/12/222327912.db2.gz HLSZJXWYXKNOOV-UHFFFAOYSA-N 1 0 389.887 2.345 50 0 GEAARO O=C(C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1)NC1CC1 ZINC000095497457 222331420 /nfs/dbraw/zinc/33/14/20/222331420.db2.gz GEUDORJQPOHKEI-UHFFFAOYSA-N 1 0 377.435 2.058 50 0 GEAARO CN([C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000095483549 222331577 /nfs/dbraw/zinc/33/15/77/222331577.db2.gz XDKJCSBUXWAHAE-HNNXBMFYSA-N 1 0 380.286 2.107 50 0 GEAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCc1ccnn1C ZINC000095499780 222334617 /nfs/dbraw/zinc/33/46/17/222334617.db2.gz AOMFIGPSNFMPKN-UHFFFAOYSA-N 1 0 375.561 2.007 50 0 GEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)NCc1ccc(F)cc1 ZINC000077104270 222274506 /nfs/dbraw/zinc/27/45/06/222274506.db2.gz QUYSEEIWWPLAPQ-UHFFFAOYSA-N 1 0 389.496 2.499 50 0 GEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)NCc1cccs1 ZINC000077104252 222274795 /nfs/dbraw/zinc/27/47/95/222274795.db2.gz NQAPKTOBACVJCM-UHFFFAOYSA-N 1 0 377.535 2.422 50 0 GEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)C1 ZINC000077355738 222278986 /nfs/dbraw/zinc/27/89/86/222278986.db2.gz NFFIASJIGVBRQD-DLBZAZTESA-N 1 0 387.480 2.006 50 0 GEAARO C[NH+](C)CCN1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)OC1=O ZINC000077459983 222283178 /nfs/dbraw/zinc/28/31/78/222283178.db2.gz NTOBPSKAEGOZHQ-UHFFFAOYSA-N 1 0 382.464 2.223 50 0 GEAARO COc1cc(CN(C)Cc2cc(C)on2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095519607 222345621 /nfs/dbraw/zinc/34/56/21/222345621.db2.gz NXSDQKWHGAAYCV-LJQANCHMSA-N 1 0 389.496 2.459 50 0 GEAARO CCSCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082098105 222308120 /nfs/dbraw/zinc/30/81/20/222308120.db2.gz WNWXYYWYKDMHQM-KRWDZBQOSA-N 1 0 381.586 2.455 50 0 GEAARO O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000082146527 222311058 /nfs/dbraw/zinc/31/10/58/222311058.db2.gz YDRDOMFSCWXYGI-IBGZPJMESA-N 1 0 375.476 2.121 50 0 GEAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000095515295 222344941 /nfs/dbraw/zinc/34/49/41/222344941.db2.gz RBGRBMUYBDNZEP-QGZVFWFLSA-N 1 0 375.517 2.148 50 0 GEAARO Cc1ncn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)c1C ZINC000095519836 222346703 /nfs/dbraw/zinc/34/67/03/222346703.db2.gz UNDMBOZDJMPCQO-UHFFFAOYSA-N 1 0 384.528 2.255 50 0 GEAARO Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3[C@@H]([NH3+])[C@@H]4C=C[C@H]3O4)CC2)c1 ZINC000095524633 222349445 /nfs/dbraw/zinc/34/94/45/222349445.db2.gz HJTKDLZHKXKCGL-JYRKZWEQSA-N 1 0 383.492 2.233 50 0 GEAARO COc1ccc(/C=C/C[N@H+]2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)cc1 ZINC000095526525 222350298 /nfs/dbraw/zinc/35/02/98/222350298.db2.gz PSMICFOBYOJGOX-HMTUNPETSA-N 1 0 381.542 2.061 50 0 GEAARO Cc1cc(N)n(CC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095526622 222350743 /nfs/dbraw/zinc/35/07/43/222350743.db2.gz TWTDAERPALNEBP-STZQEDGTSA-N 1 0 379.508 2.171 50 0 GEAARO COc1ccc(O)cc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095529258 222352015 /nfs/dbraw/zinc/35/20/15/222352015.db2.gz RKTYZHOGRHOXEN-UHFFFAOYSA-N 1 0 396.491 2.410 50 0 GEAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2cnc(C)cn2)CC1 ZINC000095530505 222353740 /nfs/dbraw/zinc/35/37/40/222353740.db2.gz LIXQUGWTWQXXQW-UHFFFAOYSA-N 1 0 383.496 2.181 50 0 GEAARO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000095995521 222368506 /nfs/dbraw/zinc/36/85/06/222368506.db2.gz LYEUVLODHPQWPC-YOEHRIQHSA-N 1 0 397.541 2.330 50 0 GEAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccsc1 ZINC000096096330 222378762 /nfs/dbraw/zinc/37/87/62/222378762.db2.gz MLPVTJGJGHSEOX-UHFFFAOYSA-N 1 0 382.489 2.484 50 0 GEAARO CN(C(=O)Nc1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096166871 222394574 /nfs/dbraw/zinc/39/45/74/222394574.db2.gz FOXCHETZQQOJCY-LJQANCHMSA-N 1 0 377.452 2.401 50 0 GEAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](CCCn1cccn1)CC2 ZINC000096166846 222395540 /nfs/dbraw/zinc/39/55/40/222395540.db2.gz XGNVEIBCQSPQOY-UHFFFAOYSA-N 1 0 382.512 2.172 50 0 GEAARO CC[NH+](CC)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O ZINC000096184184 222397436 /nfs/dbraw/zinc/39/74/36/222397436.db2.gz IZWPBDZBSSMJRO-UHFFFAOYSA-N 1 0 392.887 2.030 50 0 GEAARO CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000170677054 222560837 /nfs/dbraw/zinc/56/08/37/222560837.db2.gz ZXWWIGDHGRGUOM-RDJZCZTQSA-N 1 0 381.542 2.064 50 0 GEAARO COC(=O)c1ccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)c(C)c1 ZINC000426503014 533943664 /nfs/dbraw/zinc/94/36/64/533943664.db2.gz AJMVKIJQTDNJFX-PMACEKPBSA-N 1 0 382.460 2.196 50 0 GEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2OCC(=O)N2CCCC2)N1 ZINC000009156654 527137758 /nfs/dbraw/zinc/13/77/58/527137758.db2.gz HNLQMBWWQUAFFV-LJQANCHMSA-N 1 0 390.447 2.134 50 0 GEAARO CC[NH+](CC)Cc1cccc(NC(=O)NCc2nc(-c3cnccn3)n[nH]2)c1 ZINC000426475386 528197862 /nfs/dbraw/zinc/19/78/62/528197862.db2.gz IMMXFIQNGVXDBW-UHFFFAOYSA-N 1 0 380.456 2.425 50 0 GEAARO CCCn1cnnc1CN(C)C(=O)N[C@@H]1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000426361097 528869163 /nfs/dbraw/zinc/86/91/63/528869163.db2.gz DINNXEVCSIEKGU-RBUKOAKNSA-N 1 0 384.528 2.393 50 0 GEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000089282920 536145430 /nfs/dbraw/zinc/14/54/30/536145430.db2.gz PQFJOESGTLEELE-GOSISDBHSA-N 1 0 380.496 2.020 50 0 GEAARO COC(=O)N1CCCc2cc(-n3ccnc3-c3cc4n(n3)CC[NH2+]C4)ccc21 ZINC000072432627 536426642 /nfs/dbraw/zinc/42/66/42/536426642.db2.gz RGZLINXEJDNKMO-UHFFFAOYSA-N 1 0 378.436 2.358 50 0 GEAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)s1 ZINC000096131604 570211225 /nfs/dbraw/zinc/21/12/25/570211225.db2.gz BHDFZYLKZLUBFC-UHFFFAOYSA-N 1 0 375.542 2.397 50 0 GEAARO O=C([C@@H]1CCC(=O)N(Cc2ccccn2)C1)N1CC[NH+](CC2CCCC2)CC1 ZINC000019740197 570212024 /nfs/dbraw/zinc/21/20/24/570212024.db2.gz LSUBJUDQCLJJSY-LJQANCHMSA-N 1 0 384.524 2.155 50 0 GEAARO O=C(c1cc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H]([N@H+]1CC=CCC1)[C@@H]2O ZINC000019771220 570218308 /nfs/dbraw/zinc/21/83/08/570218308.db2.gz BAXNMPXXQGMPDZ-UXHICEINSA-N 1 0 378.476 2.261 50 0 GEAARO COc1cccc([C@H](CNC(=O)Nc2ccc(-n3cncn3)nc2)[NH+](C)C)c1 ZINC000048132805 570218924 /nfs/dbraw/zinc/21/89/24/570218924.db2.gz ZCNHVNYRFBWKJZ-KRWDZBQOSA-N 1 0 381.440 2.095 50 0 GEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000019799219 570220166 /nfs/dbraw/zinc/22/01/66/570220166.db2.gz YMOSIQVSGHIDAB-QGZVFWFLSA-N 1 0 399.539 2.263 50 0 GEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4)cn2)CC1 ZINC000048237139 570222263 /nfs/dbraw/zinc/22/22/63/570222263.db2.gz UMMWNUUGOAMMTD-UHFFFAOYSA-N 1 0 393.491 2.038 50 0 GEAARO COC(=O)[C@@H](CN1CC[NH+](C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1 ZINC000096316095 570229001 /nfs/dbraw/zinc/22/90/01/570229001.db2.gz IPNZWUHFAVPORJ-KBXCAEBGSA-N 1 0 393.871 2.065 50 0 GEAARO COc1cc2[nH]c(=O)n(C[C@H](c3cccs3)[NH+](C)C)c(=O)c2cc1OC ZINC000048309787 570232791 /nfs/dbraw/zinc/23/27/91/570232791.db2.gz LMKVBLDSRZFJKJ-CYBMUJFWSA-N 1 0 375.450 2.071 50 0 GEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000020100450 570239325 /nfs/dbraw/zinc/23/93/25/570239325.db2.gz AMJIXWAMZLSWSH-UHFFFAOYSA-N 1 0 377.460 2.338 50 0 GEAARO CCOc1c(Br)cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000035161727 570242918 /nfs/dbraw/zinc/24/29/18/570242918.db2.gz KROHHOXTKRXZOI-LLVKDONJSA-N 1 0 378.288 2.133 50 0 GEAARO CCn1ccnc1CN1CCC2(CC1)CC[N@H+](Cc1ccccn1)C[C@@H]2CO ZINC000097402328 570243431 /nfs/dbraw/zinc/24/34/31/570243431.db2.gz FVXSFJAXIGUPKC-LJQANCHMSA-N 1 0 383.540 2.395 50 0 GEAARO Cn1cc(CC[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)cn1 ZINC000020202919 570247678 /nfs/dbraw/zinc/24/76/78/570247678.db2.gz ZFHZRMVSXSGEKN-UHFFFAOYSA-N 1 0 386.525 2.430 50 0 GEAARO Cc1cc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)ccc1N1CCCC1=O ZINC000097654164 570248548 /nfs/dbraw/zinc/24/85/48/570248548.db2.gz VCSBDBSJRZUROM-HKUYNNGSSA-N 1 0 386.496 2.497 50 0 GEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000097743409 570252466 /nfs/dbraw/zinc/25/24/66/570252466.db2.gz DUXTVOOTRXLANS-OAHLLOKOSA-N 1 0 376.464 2.054 50 0 GEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000584902265 570271709 /nfs/dbraw/zinc/27/17/09/570271709.db2.gz KTKGGEWJPCPQQW-AWEZNQCLSA-N 1 0 376.432 2.200 50 0 GEAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000584902962 570272121 /nfs/dbraw/zinc/27/21/21/570272121.db2.gz IBGXLICMXJYZAW-UHFFFAOYSA-N 1 0 377.533 2.492 50 0 GEAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000020999790 570287174 /nfs/dbraw/zinc/28/71/74/570287174.db2.gz SBGJEQYVXFRQBP-JOCHJYFZSA-N 1 0 388.531 2.423 50 0 GEAARO Cc1cccc2[nH]c(CNC(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC000159268702 570290729 /nfs/dbraw/zinc/29/07/29/570290729.db2.gz PDMHKSCMLYUFIA-UHFFFAOYSA-N 1 0 395.463 2.067 50 0 GEAARO O[C@@H](COCc1cccs1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022036577 570302628 /nfs/dbraw/zinc/30/26/28/570302628.db2.gz BPPDREYZJZGLNQ-QGZVFWFLSA-N 1 0 390.505 2.172 50 0 GEAARO CC(C)c1noc(CN2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)n1 ZINC000575414178 570303674 /nfs/dbraw/zinc/30/36/74/570303674.db2.gz ILLWKKWZFHPYEV-UHFFFAOYSA-N 1 0 391.497 2.359 50 0 GEAARO CC(C)(C)c1oc(C(N)=O)cc1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000106994357 570307758 /nfs/dbraw/zinc/30/77/58/570307758.db2.gz FXCUVTPPPRKWFG-KRWDZBQOSA-N 1 0 377.529 2.487 50 0 GEAARO COc1c(F)c(F)c(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(F)c1F ZINC000107407863 570309652 /nfs/dbraw/zinc/30/96/52/570309652.db2.gz ONBOAKQQZWFVOB-GOSISDBHSA-N 1 0 389.393 2.038 50 0 GEAARO COc1cc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc(Cl)c1OC ZINC000107417807 570310033 /nfs/dbraw/zinc/31/00/33/570310033.db2.gz JJNHVEGGOXPAQD-LJQANCHMSA-N 1 0 381.904 2.144 50 0 GEAARO COCCC[NH2+]CCOCCOc1ccccc1I ZINC000002981160 570322202 /nfs/dbraw/zinc/32/22/02/570322202.db2.gz GEYYPVRUWBLDQA-UHFFFAOYSA-N 1 0 379.238 2.313 50 0 GEAARO OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1CCc1ccccc1 ZINC000022932529 570337205 /nfs/dbraw/zinc/33/72/05/570337205.db2.gz JKVZOAYYSSAHOQ-NRFANRHFSA-N 1 0 391.519 2.379 50 0 GEAARO CC(C)([NH3+])c1cn(C[C@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000023214158 570349965 /nfs/dbraw/zinc/34/99/65/570349965.db2.gz JGBMHHRDISDLDP-INIZCTEOSA-N 1 0 388.491 2.275 50 0 GEAARO CC[NH+](CC)CCNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000004109137 570357706 /nfs/dbraw/zinc/35/77/06/570357706.db2.gz MFVYFRSYSRUWIO-UHFFFAOYSA-N 1 0 392.503 2.445 50 0 GEAARO COc1ccc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)c(OC)c1OC ZINC000023373416 570357840 /nfs/dbraw/zinc/35/78/40/570357840.db2.gz PRGNHJMSJSUDKI-SFHVURJKSA-N 1 0 378.513 2.381 50 0 GEAARO Cc1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnn1C1CC[NH2+]CC1 ZINC000237740009 570392691 /nfs/dbraw/zinc/39/26/91/570392691.db2.gz PHQWXSPSFRSFAJ-KRWDZBQOSA-N 1 0 397.479 2.260 50 0 GEAARO CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746160 570401613 /nfs/dbraw/zinc/40/16/13/570401613.db2.gz JBWHRAYEOHUJDU-MRXNPFEDSA-N 1 0 380.330 2.435 50 0 GEAARO C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)CS2 ZINC000025615793 570417019 /nfs/dbraw/zinc/41/70/19/570417019.db2.gz RVBTUBGCYKJPKA-VCBZYWHSSA-N 1 0 377.510 2.377 50 0 GEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccccc2)c1 ZINC000004933366 570418662 /nfs/dbraw/zinc/41/86/62/570418662.db2.gz NEVBKKGWNCUWMS-UHFFFAOYSA-N 1 0 383.448 2.243 50 0 GEAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144134 570426538 /nfs/dbraw/zinc/42/65/38/570426538.db2.gz HHRGFRUOUGCAFF-UHFFFAOYSA-N 1 0 388.541 2.147 50 0 GEAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000024140769 570461333 /nfs/dbraw/zinc/46/13/33/570461333.db2.gz ZDVJVNQOJAANLB-UHFFFAOYSA-N 1 0 389.521 2.414 50 0 GEAARO COCCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035869745 570467826 /nfs/dbraw/zinc/46/78/26/570467826.db2.gz SOGAFRMOEQMCEE-RBBKRZOGSA-N 1 0 379.504 2.312 50 0 GEAARO C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)Cc1ccccc1 ZINC000032983490 570572110 /nfs/dbraw/zinc/57/21/10/570572110.db2.gz WMMBOCBBXDUEOK-LJQANCHMSA-N 1 0 378.476 2.459 50 0 GEAARO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[NH+](C)C)s2)cc1 ZINC000032987054 570574119 /nfs/dbraw/zinc/57/41/19/570574119.db2.gz HETSUYBHBXUJIA-UHFFFAOYSA-N 1 0 393.538 2.010 50 0 GEAARO O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1 ZINC000038995988 570589072 /nfs/dbraw/zinc/58/90/72/570589072.db2.gz LOLPPWBBNUVNQZ-UHFFFAOYSA-N 1 0 381.440 2.069 50 0 investigational GEAARO O=C(CN1C(=O)CSc2ncccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006802511 570604037 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CCCC[NH+]1CCN(C(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000097139430 570665062 /nfs/dbraw/zinc/66/50/62/570665062.db2.gz AODPMBVHQVLEGH-UHFFFAOYSA-N 1 0 376.476 2.008 50 0 GEAARO O=C(CN1CCCC1=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012474799 570673255 /nfs/dbraw/zinc/67/32/55/570673255.db2.gz RPQXITWKEATZFL-HXUWFJFHSA-N 1 0 391.556 2.271 50 0 GEAARO c1cnn(CCC[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)c1 ZINC000012479000 570674158 /nfs/dbraw/zinc/67/41/58/570674158.db2.gz XZBLRKBEEUENGD-UHFFFAOYSA-N 1 0 377.496 2.180 50 0 GEAARO CC1CC[NH+](Cc2ccccc2CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000036397190 570681341 /nfs/dbraw/zinc/68/13/41/570681341.db2.gz BGTGGLQYSMKOQQ-UHFFFAOYSA-N 1 0 387.524 2.174 50 0 GEAARO C[C@@H](CN1CCOCC1)NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000240668034 570685416 /nfs/dbraw/zinc/68/54/16/570685416.db2.gz HMAWEWRJQIJFBJ-IRXDYDNUSA-N 1 0 397.560 2.497 50 0 GEAARO C[C@H]1CCC[C@](CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)([NH+](C)C)C1 ZINC000058168441 570714786 /nfs/dbraw/zinc/71/47/86/570714786.db2.gz NDULTOZCHPIGBB-YWZLYKJASA-N 1 0 393.553 2.249 50 0 GEAARO CCn1c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252535873 570729687 /nfs/dbraw/zinc/72/96/87/570729687.db2.gz HBLFVNQGKISKKN-JCNLHEQBSA-N 1 0 383.475 2.460 50 0 GEAARO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCC1 ZINC000033061685 570748250 /nfs/dbraw/zinc/74/82/50/570748250.db2.gz ASOKCMDPWZGGDS-UHFFFAOYSA-N 1 0 387.509 2.325 50 0 GEAARO CCOC(=O)C1CCN(C(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)CC1 ZINC000065257318 570755747 /nfs/dbraw/zinc/75/57/47/570755747.db2.gz PCIIRGLBLCKXGA-UHFFFAOYSA-N 1 0 376.501 2.182 50 0 GEAARO CC(=O)N(C)c1ccc(NC(=O)C[NH2+]C[C@@H]2Cc3ccccc3CN2C)cc1 ZINC000065393582 570764509 /nfs/dbraw/zinc/76/45/09/570764509.db2.gz RVHIOOSCBVDJPM-NRFANRHFSA-N 1 0 380.492 2.254 50 0 GEAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000004437329 570767815 /nfs/dbraw/zinc/76/78/15/570767815.db2.gz ROAMKAQTTHWHOX-IBGZPJMESA-N 1 0 395.569 2.077 50 0 GEAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1 ZINC000013674218 570771776 /nfs/dbraw/zinc/77/17/76/570771776.db2.gz RNTKTFPXTVCCRK-UHFFFAOYSA-N 1 0 375.494 2.396 50 0 GEAARO O=C1C[C@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000100888079 570779244 /nfs/dbraw/zinc/77/92/44/570779244.db2.gz IMMBZXHOHDEYNV-XCLNPWKQSA-N 1 0 376.416 2.241 50 0 GEAARO C[C@H]1C[NH+](Cc2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)C[C@H](C)O1 ZINC000032831360 570845088 /nfs/dbraw/zinc/84/50/88/570845088.db2.gz SPQRLNZFLYEMPW-HOTGVXAUSA-N 1 0 379.460 2.347 50 0 GEAARO COc1ccc(CCN2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)cc1OC ZINC000102379988 570847535 /nfs/dbraw/zinc/84/75/35/570847535.db2.gz VNNWNMSFNCYGOL-IBGZPJMESA-N 1 0 394.471 2.432 50 0 GEAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000004712197 570857933 /nfs/dbraw/zinc/85/79/33/570857933.db2.gz OPGGFCRXBXLORS-MSOLQXFVSA-N 1 0 387.590 2.209 50 0 GEAARO Cc1oncc1C(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072145291 570871118 /nfs/dbraw/zinc/87/11/18/570871118.db2.gz JGFXHDTUTYUJJN-NSISKUIASA-N 1 0 381.432 2.414 50 0 GEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCCN(Cc1cccnc1)C3)C2 ZINC000072147075 570872039 /nfs/dbraw/zinc/87/20/39/570872039.db2.gz YPBGLHQTGHXSQO-LEWJYISDSA-N 1 0 380.540 2.353 50 0 GEAARO C/C=C/CC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072150709 570873272 /nfs/dbraw/zinc/87/32/72/570873272.db2.gz GNQMOQWXOPYXPO-LSTKMXGYSA-N 1 0 385.508 2.490 50 0 GEAARO C/C=C/CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072150708 570873392 /nfs/dbraw/zinc/87/33/92/570873392.db2.gz GNQMOQWXOPYXPO-PHXNAMCJSA-N 1 0 385.508 2.490 50 0 GEAARO CNC(=O)Cc1cccc(NC(=O)N2CCC([NH+]3CCSCC3)CC2)c1 ZINC000299759915 570892218 /nfs/dbraw/zinc/89/22/18/570892218.db2.gz PAPHVBLYOHSTIB-UHFFFAOYSA-N 1 0 376.526 2.020 50 0 GEAARO COCCc1noc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299776748 570894535 /nfs/dbraw/zinc/89/45/35/570894535.db2.gz CKAXLIPTHHZNRJ-KSZLIROESA-N 1 0 384.480 2.443 50 0 GEAARO O=C(CCC[N@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)c1ccc(F)cc1 ZINC000299785103 570895483 /nfs/dbraw/zinc/89/54/83/570895483.db2.gz QJMGZTNYHKAMKG-KRQVXIAISA-N 1 0 377.456 2.277 50 0 GEAARO Fc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)ccc1-n1cncn1 ZINC000032900925 570897297 /nfs/dbraw/zinc/89/72/97/570897297.db2.gz NSMDHZKVVDQUNS-LJQANCHMSA-N 1 0 381.455 2.397 50 0 GEAARO COc1ccc(OC)c2nc(N(C)C)c(C[NH2+]CCCN3CCCC3=O)cc12 ZINC000299798894 570897651 /nfs/dbraw/zinc/89/76/51/570897651.db2.gz RWYPDLCOWBZOJB-UHFFFAOYSA-N 1 0 386.496 2.420 50 0 GEAARO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000046743044 570902239 /nfs/dbraw/zinc/90/22/39/570902239.db2.gz SCDPDXGFRFZEST-SFHVURJKSA-N 1 0 384.459 2.232 50 0 GEAARO CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023127415 570912551 /nfs/dbraw/zinc/91/25/51/570912551.db2.gz QEMTVDIQOHSSBR-UHFFFAOYSA-N 1 0 386.496 2.354 50 0 GEAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000089909815 570919165 /nfs/dbraw/zinc/91/91/65/570919165.db2.gz XEFLVAQQFAHMAN-HNNXBMFYSA-N 1 0 387.505 2.392 50 0 GEAARO CCCn1cnc(S(=O)(=O)NCc2ccccc2OCC[NH+](CC)CC)c1 ZINC000089960733 570921488 /nfs/dbraw/zinc/92/14/88/570921488.db2.gz VUILJRYNQPAIGR-UHFFFAOYSA-N 1 0 394.541 2.492 50 0 GEAARO C[C@@H]1CN([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c2c(F)cccc2Cl)CCO1 ZINC000262666008 570929606 /nfs/dbraw/zinc/92/96/06/570929606.db2.gz KBEFFXQPFQRMFL-UMPJEAMMSA-N 1 0 383.895 2.485 50 0 GEAARO Cc1ccc([C@H](O)CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000041444217 570961999 /nfs/dbraw/zinc/96/19/99/570961999.db2.gz ZZBAHFLMOCIHPX-JOCHJYFZSA-N 1 0 396.535 2.145 50 0 GEAARO COc1cc(-c2noc(CCC(=O)N3CC[NH2+]C[C@H]3C)n2)cc(Cl)c1OC ZINC000124376844 570965322 /nfs/dbraw/zinc/96/53/22/570965322.db2.gz CQNFEGIJZCMHCE-LLVKDONJSA-N 1 0 394.859 2.160 50 0 GEAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047632677 570975386 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/nfs/dbraw/zinc/16/02/49/221160249.db2.gz JMWDDRPXGRPDQT-QGZVFWFLSA-N 1 0 395.569 2.285 50 0 GEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)CC1 ZINC000012299291 221176291 /nfs/dbraw/zinc/17/62/91/221176291.db2.gz MGEKULKXWVHQPH-GOSISDBHSA-N 1 0 389.496 2.049 50 0 GEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CN2CCCC2=O)CC1 ZINC000012315469 221180243 /nfs/dbraw/zinc/18/02/43/221180243.db2.gz MJUOOBXUUSIIOO-UHFFFAOYSA-N 1 0 387.524 2.031 50 0 GEAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000012192924 221165682 /nfs/dbraw/zinc/16/56/82/221165682.db2.gz YPAKLBGPFIDZDJ-LJQANCHMSA-N 1 0 390.553 2.365 50 0 GEAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1cncn1 ZINC000012198661 221167054 /nfs/dbraw/zinc/16/70/54/221167054.db2.gz AXDGLAHHWZFHLB-QGZVFWFLSA-N 1 0 375.904 2.345 50 0 GEAARO CCn1ccnc1CN1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012209559 221168136 /nfs/dbraw/zinc/16/81/36/221168136.db2.gz YDUOPSALEPKITC-GOSISDBHSA-N 1 0 375.561 2.448 50 0 GEAARO COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccnc2)c1 ZINC000012247119 221173678 /nfs/dbraw/zinc/17/36/78/221173678.db2.gz QAGPLGZEBFJVSS-RTBURBONSA-N 1 0 399.491 2.001 50 0 GEAARO CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012526144 221201893 /nfs/dbraw/zinc/20/18/93/221201893.db2.gz UOFUCXXIHMZEPR-LJQANCHMSA-N 1 0 387.505 2.453 50 0 GEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000012613910 221214939 /nfs/dbraw/zinc/21/49/39/221214939.db2.gz NFYGFHPTWKQGRZ-UHFFFAOYSA-N 1 0 393.491 2.141 50 0 GEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCCn3cncn3)C2)cc1 ZINC000012714760 221220582 /nfs/dbraw/zinc/22/05/82/221220582.db2.gz VWPCIEYYCATHDM-FQEVSTJZSA-N 1 0 399.539 2.480 50 0 GEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2nonc2C)C1 ZINC000012714588 221220709 /nfs/dbraw/zinc/22/07/09/221220709.db2.gz XPECRGLAYICVDX-QGZVFWFLSA-N 1 0 386.496 2.342 50 0 GEAARO COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000012714311 221220940 /nfs/dbraw/zinc/22/09/40/221220940.db2.gz BIKSAIXFFPTZKR-LJQANCHMSA-N 1 0 387.524 2.125 50 0 GEAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012787208 221231618 /nfs/dbraw/zinc/23/16/18/221231618.db2.gz TYBPKEUPKVXYGK-DNVCBOLYSA-N 1 0 387.505 2.348 50 0 GEAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000013040351 221259333 /nfs/dbraw/zinc/25/93/33/221259333.db2.gz DQESXROHECGKPH-CQSZACIVSA-N 1 0 391.493 2.235 50 0 GEAARO Cc1sc2ncn(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)c2c1C ZINC000014075764 221297724 /nfs/dbraw/zinc/29/77/24/221297724.db2.gz KEXYVPOSVQVLLU-QGZVFWFLSA-N 1 0 396.516 2.466 50 0 GEAARO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520628 221311131 /nfs/dbraw/zinc/31/11/31/221311131.db2.gz HZXWUNHCRXMUNC-FQEVSTJZSA-N 1 0 395.507 2.227 50 0 GEAARO CC(=O)N[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1 ZINC000014521812 221311214 /nfs/dbraw/zinc/31/12/14/221311214.db2.gz DXUXJMUZKWCLKA-HXUWFJFHSA-N 1 0 395.507 2.348 50 0 GEAARO O=C(NCc1cccs1)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1CCCc1ccccc1 ZINC000014963226 221322175 /nfs/dbraw/zinc/32/21/75/221322175.db2.gz XJHUBUNJIRCGGH-HKUYNNGSSA-N 1 0 396.520 2.299 50 0 GEAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014742691 221315572 /nfs/dbraw/zinc/31/55/72/221315572.db2.gz QHLWNUAFACGRHJ-UHFFFAOYSA-N 1 0 380.448 2.216 50 0 GEAARO CCOCCC[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014746794 221316395 /nfs/dbraw/zinc/31/63/95/221316395.db2.gz AKFUKRQMTCHAIQ-CQSZACIVSA-N 1 0 376.526 2.285 50 0 GEAARO C[C@H](C[NH+]1CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1)c1ccccc1 ZINC000014986584 221324551 /nfs/dbraw/zinc/32/45/51/221324551.db2.gz IXDLCWRZHCZLNF-QGZVFWFLSA-N 1 0 383.496 2.191 50 0 GEAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCn1cncn1 ZINC000015005101 221326181 /nfs/dbraw/zinc/32/61/81/221326181.db2.gz HYRCQICXPCFBJX-UHFFFAOYSA-N 1 0 379.464 2.202 50 0 GEAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000015068317 221328982 /nfs/dbraw/zinc/32/89/82/221328982.db2.gz SUKXXCUMGQJADE-FQEVSTJZSA-N 1 0 381.524 2.220 50 0 GEAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(Cc3cc[nH]n3)CC2)c1 ZINC000015071268 221330564 /nfs/dbraw/zinc/33/05/64/221330564.db2.gz LUIKRUAQWRYHNN-UHFFFAOYSA-N 1 0 385.512 2.087 50 0 GEAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724268 221341497 /nfs/dbraw/zinc/34/14/97/221341497.db2.gz PMDQVXAPCRFVHW-UHFFFAOYSA-N 1 0 395.507 2.426 50 0 GEAARO CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+]1CCCC1 ZINC000015883603 221351054 /nfs/dbraw/zinc/35/10/54/221351054.db2.gz WWOXLJCZIJXOJR-UHFFFAOYSA-N 1 0 376.526 2.163 50 0 GEAARO Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2=O ZINC000016599566 221366182 /nfs/dbraw/zinc/36/61/82/221366182.db2.gz YLCZDZGVKPNYOJ-IBGZPJMESA-N 1 0 379.460 2.400 50 0 GEAARO COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCCCC1 ZINC000016973697 221374398 /nfs/dbraw/zinc/37/43/98/221374398.db2.gz XEPGSUAANKLXJF-UHFFFAOYSA-N 1 0 385.464 2.490 50 0 GEAARO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000095397804 533294502 /nfs/dbraw/zinc/29/45/02/533294502.db2.gz ADTVJZBPNSPVPU-LSDHHAIUSA-N 1 0 380.435 2.460 50 0 GEAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCn4cccn4)C3)C2=O)c1OC ZINC000426549103 533479975 /nfs/dbraw/zinc/47/99/75/533479975.db2.gz GTEBPZVSBFABBM-JOCHJYFZSA-N 1 0 398.507 2.415 50 0 GEAARO C[NH+]1CCN(c2ncccc2CNC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000058245143 136155119 /nfs/dbraw/zinc/15/51/19/136155119.db2.gz OJOFGTHGZUEBSH-UHFFFAOYSA-N 1 0 379.508 2.364 50 0 GEAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)CC1 ZINC000065216467 136160228 /nfs/dbraw/zinc/16/02/28/136160228.db2.gz DYGLAJHBBHTUQQ-UHFFFAOYSA-N 1 0 388.541 2.211 50 0 GEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1)N1CCCC1 ZINC000071763461 136166456 /nfs/dbraw/zinc/16/64/56/136166456.db2.gz FJOZPUITTRORRN-QGZVFWFLSA-N 1 0 383.540 2.269 50 0 GEAARO CN(C)C(=O)CN1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072166399 136167342 /nfs/dbraw/zinc/16/73/42/136167342.db2.gz YNBZGSUAHYZGOP-GOSISDBHSA-N 1 0 398.473 2.380 50 0 GEAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000072468057 136171070 /nfs/dbraw/zinc/17/10/70/136171070.db2.gz LZLFHIJLRLYJHR-OAQYLSRUSA-N 1 0 382.508 2.129 50 0 GEAARO COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000091548062 136176438 /nfs/dbraw/zinc/17/64/38/136176438.db2.gz IZVPMLZGVJTICV-QGZVFWFLSA-N 1 0 395.503 2.428 50 0 GEAARO Cc1sc2ncnc(N3CCC([NH2+][C@H]4C=CS(=O)(=O)C4)CC3)c2c1C ZINC000095507868 136180275 /nfs/dbraw/zinc/18/02/75/136180275.db2.gz ANGPJXGRXKJBJL-AWEZNQCLSA-N 1 0 378.523 2.177 50 0 GEAARO O=C(CC[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1)N1CCN(c2ccccn2)CC1 ZINC000095509868 136180496 /nfs/dbraw/zinc/18/04/96/136180496.db2.gz FVIAOCYPQPOIFP-GOSISDBHSA-N 1 0 382.512 2.146 50 0 GEAARO Nc1nnc(CCC[NH2+]C2CCN(c3ncnc4ccsc43)CC2)s1 ZINC000096165640 136184907 /nfs/dbraw/zinc/18/49/07/136184907.db2.gz QYWYERMEVDUZNK-UHFFFAOYSA-N 1 0 375.527 2.316 50 0 GEAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccccc3)CC2)CCCCC1 ZINC000101697398 136189738 /nfs/dbraw/zinc/18/97/38/136189738.db2.gz YHGSOHVRDHLUNA-UHFFFAOYSA-N 1 0 396.535 2.286 50 0 GEAARO CCOc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106956012 136201630 /nfs/dbraw/zinc/20/16/30/136201630.db2.gz SJVKUZUHWBUKEB-QGZVFWFLSA-N 1 0 381.480 2.430 50 0 GEAARO CC(C)[NH+]1CCC(N2CCN(c3ncnc4ccsc43)C[C@H]2CCO)CC1 ZINC000106992762 136201760 /nfs/dbraw/zinc/20/17/60/136201760.db2.gz IMUGGYMOOUOMNJ-QGZVFWFLSA-N 1 0 389.569 2.437 50 0 GEAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+](CC)CC)cc2)c1N ZINC000021651907 221537436 /nfs/dbraw/zinc/53/74/36/221537436.db2.gz MUPRKJFYEFCXOC-UHFFFAOYSA-N 1 0 387.484 2.093 50 0 GEAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000021933351 221547963 /nfs/dbraw/zinc/54/79/63/221547963.db2.gz YYTMDYMOJDFJOS-UHFFFAOYSA-N 1 0 395.507 2.145 50 0 GEAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)cs2)cc1 ZINC000040744358 221930109 /nfs/dbraw/zinc/93/01/09/221930109.db2.gz LEAZPSKSTVBYCF-UHFFFAOYSA-N 1 0 375.313 2.490 50 0 GEAARO Cc1c(C[NH+]2CCN(Cc3ncccc3C)CC2)c2ccccc2n1CC(N)=O ZINC000055098962 222015514 /nfs/dbraw/zinc/01/55/14/222015514.db2.gz NRQFQLAHKKUCBF-UHFFFAOYSA-N 1 0 391.519 2.456 50 0 GEAARO COc1cccc(CNCc2n[nH]c(=O)c3ccccc23)c1OCC[NH+](C)C ZINC000055119053 222016940 /nfs/dbraw/zinc/01/69/40/222016940.db2.gz PITLHRCTNUMRBV-UHFFFAOYSA-N 1 0 382.464 2.162 50 0 GEAARO COC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731157 222036215 /nfs/dbraw/zinc/03/62/15/222036215.db2.gz UBQYGTTXFMGIJO-LPMFXHHGSA-N 1 0 387.480 2.454 50 0 GEAARO Nc1nnc(SCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000063833053 222067436 /nfs/dbraw/zinc/06/74/36/222067436.db2.gz YOWNXEJRFHGDBW-CQSZACIVSA-N 1 0 377.539 2.241 50 0 GEAARO Cc1nnc(-c2coc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2)o1 ZINC000065246543 222114280 /nfs/dbraw/zinc/11/42/80/222114280.db2.gz HXCQTAQZGMZFAB-UHFFFAOYSA-N 1 0 380.470 2.277 50 0 GEAARO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776034 222082565 /nfs/dbraw/zinc/08/25/65/222082565.db2.gz CHEMOFCPLAOLPH-INIZCTEOSA-N 1 0 395.507 2.441 50 0 GEAARO CSc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCCC1 ZINC000065365123 222124100 /nfs/dbraw/zinc/12/41/00/222124100.db2.gz VGLKBPNXVJPQAE-UHFFFAOYSA-N 1 0 397.566 2.017 50 0 GEAARO COc1cccc(OC[C@H](O)CNc2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC000065384557 222127041 /nfs/dbraw/zinc/12/70/41/222127041.db2.gz VJZWSQZVCXYUSM-GFCCVEGCSA-N 1 0 386.477 2.197 50 0 GEAARO O=C(NCc1csc(-c2cccs2)n1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065470164 222131396 /nfs/dbraw/zinc/13/13/96/222131396.db2.gz WDOZTLJTARRUGP-GFCCVEGCSA-N 1 0 388.522 2.393 50 0 GEAARO C[C@H](C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1)[NH+]1CCCC1 ZINC000065527375 222132838 /nfs/dbraw/zinc/13/28/38/222132838.db2.gz VKYYAVXPAFVXLQ-MRXNPFEDSA-N 1 0 381.480 2.352 50 0 GEAARO CC[NH+]1CCN(CCNC(=O)c2sc(-n3cccc3)nc2C(C)C)CC1 ZINC000067350015 222146086 /nfs/dbraw/zinc/14/60/86/222146086.db2.gz MPDCMHZUMHILCO-UHFFFAOYSA-N 1 0 375.542 2.425 50 0 GEAARO COc1ccc([C@@H]2CN(C(=O)CCn3cccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071748749 222190120 /nfs/dbraw/zinc/19/01/20/222190120.db2.gz MLIOIOFDWXMGTM-KSEOMHKRSA-N 1 0 380.492 2.371 50 0 GEAARO CCOC(=O)N1CCC(Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)CC1 ZINC000067435018 222147173 /nfs/dbraw/zinc/14/71/73/222147173.db2.gz OIRJGQXWQNEHDM-UHFFFAOYSA-N 1 0 382.468 2.217 50 0 GEAARO CN1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC12CC[NH+](C)CC2 ZINC000067541010 222148212 /nfs/dbraw/zinc/14/82/12/222148212.db2.gz KDNNOONALLOQCX-UHFFFAOYSA-N 1 0 383.496 2.024 50 0 GEAARO O=C(N[C@H]1C[NH2+][C@H](C(=O)NCCc2c[nH]c3ccccc23)C1)c1cccc(F)c1 ZINC000067588788 222149118 /nfs/dbraw/zinc/14/91/18/222149118.db2.gz UOBWAULCAYEJKA-XLIONFOSSA-N 1 0 394.450 2.126 50 0 GEAARO O=C1N[C@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1CCn1cccn1 ZINC000067642768 222151325 /nfs/dbraw/zinc/15/13/25/222151325.db2.gz WYISCHWXTGDSRJ-JOCHJYFZSA-N 1 0 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CC(C)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746245 222186828 /nfs/dbraw/zinc/18/68/28/222186828.db2.gz WJCGZRSFQYLMOO-LJQANCHMSA-N 1 0 386.471 2.292 50 0 GEAARO CCCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071735558 222187243 /nfs/dbraw/zinc/18/72/43/222187243.db2.gz LTHKYMIDDHWLRL-QGZVFWFLSA-N 1 0 388.512 2.421 50 0 GEAARO O=C(NCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071751952 222191518 /nfs/dbraw/zinc/19/15/18/222191518.db2.gz PNWBGGCIZGMMOI-IBGZPJMESA-N 1 0 399.535 2.295 50 0 GEAARO O=C(NCCCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071751802 222192516 /nfs/dbraw/zinc/19/25/16/222192516.db2.gz WZSPBDYNQPTHRU-FQEVSTJZSA-N 1 0 398.551 2.243 50 0 GEAARO O=C(NCc1ccncn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071770824 222195070 /nfs/dbraw/zinc/19/50/70/222195070.db2.gz OEXAZJSNQXKPNG-HXUWFJFHSA-N 1 0 393.535 2.469 50 0 GEAARO Cc1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cs1 ZINC000071776710 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CCn1cc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c2cc(C(=O)OC)ncc21 ZINC000072463378 222263600 /nfs/dbraw/zinc/26/36/00/222263600.db2.gz PZSITLJEHFCJOE-UHFFFAOYSA-N 1 0 384.480 2.287 50 0 GEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000085877471 222325364 /nfs/dbraw/zinc/32/53/64/222325364.db2.gz QYGGLFYEGRUAAA-FRQCXROJSA-N 1 0 395.507 2.297 50 0 GEAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CCCc1ccccc1)CC2 ZINC000095504984 222337913 /nfs/dbraw/zinc/33/79/13/222337913.db2.gz SGCWUAJYAPIDDG-UHFFFAOYSA-N 1 0 382.508 2.365 50 0 GEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2c3ccccc3SC[C@H]2C)C1 ZINC000075106326 222272831 /nfs/dbraw/zinc/27/28/31/222272831.db2.gz CDFGNJJKLQNPRN-IAGOWNOFSA-N 1 0 377.554 2.460 50 0 GEAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@H+]4CCC[C@H]4C)[nH]c3=O)nc2s1 ZINC000077342542 222279141 /nfs/dbraw/zinc/27/91/41/222279141.db2.gz VQRPBJYVJZZFPI-GFCCVEGCSA-N 1 0 385.493 2.307 50 0 GEAARO Cc1nc(CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)nc2c1CCCC2 ZINC000077379384 222280007 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ZINC000095512664 535936186 /nfs/dbraw/zinc/93/61/86/535936186.db2.gz AWAMSSGWYVXBRG-IBGZPJMESA-N 1 0 379.512 2.469 50 0 GEAARO CCc1nc2cc(N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)cnc2nc1CC ZINC000096387354 536157020 /nfs/dbraw/zinc/15/70/20/536157020.db2.gz OCTREMKDIRSSDR-HNNXBMFYSA-N 1 0 384.528 2.044 50 0 GEAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CC)CC1)CCCC2 ZINC000019731979 570211831 /nfs/dbraw/zinc/21/18/31/570211831.db2.gz MWLADNDWAIJYCQ-UHFFFAOYSA-N 1 0 379.526 2.380 50 0 GEAARO Cc1cccc(OCCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000048064774 570217849 /nfs/dbraw/zinc/21/78/49/570217849.db2.gz SWKMBOLRDBGQCD-UHFFFAOYSA-N 1 0 383.496 2.020 50 0 GEAARO C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)[NH+]1CCCC1 ZINC000048128637 570219106 /nfs/dbraw/zinc/21/91/06/570219106.db2.gz NNGWWLZRYVICGF-OAHLLOKOSA-N 1 0 379.526 2.122 50 0 GEAARO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048261785 570224690 /nfs/dbraw/zinc/22/46/90/570224690.db2.gz KLBDMJIQOXVSOO-HXUWFJFHSA-N 1 0 392.507 2.012 50 0 GEAARO CC1CC[NH+](Cc2ccccc2CNC(=O)CCSc2nnnn2C)CC1 ZINC000048264528 570225363 /nfs/dbraw/zinc/22/53/63/570225363.db2.gz ILPSBUDWRZHIDT-UHFFFAOYSA-N 1 0 388.541 2.241 50 0 GEAARO CCN(CC)CC[NH2+][C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000096405064 570229230 /nfs/dbraw/zinc/22/92/30/570229230.db2.gz WFYIAUBSTOOQHE-IBGZPJMESA-N 1 0 397.567 2.181 50 0 GEAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4ccco4)n[nH]3)cn2)CC1 ZINC000048286472 570231675 /nfs/dbraw/zinc/23/16/75/570231675.db2.gz XQUBOKOPWABIDC-UHFFFAOYSA-N 1 0 380.452 2.137 50 0 GEAARO CCOC(=O)CN1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)[C@H](CO)C1 ZINC000097532480 570245793 /nfs/dbraw/zinc/24/57/93/570245793.db2.gz MFPQVXKYVDATDX-FQEVSTJZSA-N 1 0 386.536 2.113 50 0 GEAARO O=C1C[C@H](c2ccco2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020405412 570254261 /nfs/dbraw/zinc/25/42/61/570254261.db2.gz IMMBZXHOHDEYNV-XWPNQZOQSA-N 1 0 376.416 2.241 50 0 GEAARO CC(C)[NH+]1CCC(N2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)CC1 ZINC000104634431 570255196 /nfs/dbraw/zinc/25/51/96/570255196.db2.gz JXEUCECBRHTQIY-HXUWFJFHSA-N 1 0 399.583 2.315 50 0 GEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC000048964445 570255573 /nfs/dbraw/zinc/25/55/73/570255573.db2.gz BFEJGUZKEBTLAZ-UHFFFAOYSA-N 1 0 399.557 2.309 50 0 GEAARO COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000257347728 570274187 /nfs/dbraw/zinc/27/41/87/570274187.db2.gz RRKTZKIUPZVBMF-JNVBEIOOSA-N 1 0 394.471 2.110 50 0 GEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ncccn2)CC1 ZINC000021174458 570288994 /nfs/dbraw/zinc/28/89/94/570288994.db2.gz QEBWPYPBUJSDCG-UHFFFAOYSA-N 1 0 379.508 2.474 50 0 GEAARO CC(C)COC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cn2)CC1 ZINC000034667965 570292580 /nfs/dbraw/zinc/29/25/80/570292580.db2.gz UUSBGNLUWALDQU-IBGZPJMESA-N 1 0 392.544 2.222 50 0 GEAARO COCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000216142574 570296344 /nfs/dbraw/zinc/29/63/44/570296344.db2.gz URYVOCRLUCHLLV-FQEVSTJZSA-N 1 0 377.504 2.407 50 0 GEAARO CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCCC2 ZINC000236894880 570296988 /nfs/dbraw/zinc/29/69/88/570296988.db2.gz YZASYLLYTSANTB-QZTJIDSGSA-N 1 0 375.517 2.403 50 0 GEAARO Cn1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1C(F)(F)F ZINC000021806917 570297118 /nfs/dbraw/zinc/29/71/18/570297118.db2.gz QPWQAGFXUFIBFH-UHFFFAOYSA-N 1 0 395.429 2.381 50 0 GEAARO COc1ccc(CCNC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1OC ZINC000022029702 570302780 /nfs/dbraw/zinc/30/27/80/570302780.db2.gz TXVNKRIEVBEUSF-LJQANCHMSA-N 1 0 385.508 2.255 50 0 GEAARO CCNC(=O)N1C[C@H](C(=O)NCC[NH+]2CCCC2)C[C@@H](c2cccc(C)c2)C1 ZINC000034710508 570303084 /nfs/dbraw/zinc/30/30/84/570303084.db2.gz QKVUMRQDIITGAK-WOJBJXKFSA-N 1 0 386.540 2.342 50 0 GEAARO CCO[C@H]1C[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCCC2 ZINC000236995732 570312147 /nfs/dbraw/zinc/31/21/47/570312147.db2.gz YZASYLLYTSANTB-ROUUACIJSA-N 1 0 375.517 2.403 50 0 GEAARO CN1C(=O)C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)[C@H]1c1cccc(Cl)c1 ZINC000237063032 570327018 /nfs/dbraw/zinc/32/70/18/570327018.db2.gz YBKAPTFXVKWCLR-IEBWSBKVSA-N 1 0 393.915 2.216 50 0 GEAARO Cc1csc2nc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)cc(=O)n12 ZINC000022787087 570327391 /nfs/dbraw/zinc/32/73/91/570327391.db2.gz FTQFFQLMQOSXHX-GOSISDBHSA-N 1 0 384.505 2.228 50 0 GEAARO COCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237110131 570328918 /nfs/dbraw/zinc/32/89/18/570328918.db2.gz DBQVRAFDTRXPKU-OCCSQVGLSA-N 1 0 376.906 2.113 50 0 GEAARO COCCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000034906731 570339463 /nfs/dbraw/zinc/33/94/63/570339463.db2.gz UTDCBICXGZDRCP-UHFFFAOYSA-N 1 0 399.539 2.111 50 0 GEAARO CCc1cccc(N2C[C@@H](C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2=O)c1 ZINC000023019654 570340559 /nfs/dbraw/zinc/34/05/59/570340559.db2.gz UYCFLTMQBJZQSU-ICSRJNTNSA-N 1 0 387.524 2.075 50 0 GEAARO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1)N1CCCC1 ZINC000024013584 570342214 /nfs/dbraw/zinc/34/22/14/570342214.db2.gz CMXVVWJRTYODAY-UHFFFAOYSA-N 1 0 386.521 2.188 50 0 GEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000237354089 570345568 /nfs/dbraw/zinc/34/55/68/570345568.db2.gz QPMGMKZZWFCZDK-MNOVXSKESA-N 1 0 378.270 2.490 50 0 GEAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)c(OC)c1OC ZINC000023373414 570357782 /nfs/dbraw/zinc/35/77/82/570357782.db2.gz PRGNHJMSJSUDKI-GOSISDBHSA-N 1 0 378.513 2.381 50 0 GEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000219831204 570376153 /nfs/dbraw/zinc/37/61/53/570376153.db2.gz GMCULKDLDAUJKG-HXUWFJFHSA-N 1 0 379.464 2.072 50 0 GEAARO Cc1cc(Br)ccc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237551914 570380098 /nfs/dbraw/zinc/38/00/98/570380098.db2.gz LIFFJKNIVFHEMJ-UHFFFAOYSA-N 1 0 378.274 2.204 50 0 GEAARO COc1cc(OC)cc(C(=O)NCCNc2cc(-n3cccc3)nc(C)[nH+]2)c1 ZINC000090607807 570383737 /nfs/dbraw/zinc/38/37/37/570383737.db2.gz VLFSVFQKRQBLSM-UHFFFAOYSA-N 1 0 381.436 2.435 50 0 GEAARO CCC(=O)N1CCc2cc(S(=O)(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000004969200 570384088 /nfs/dbraw/zinc/38/40/88/570384088.db2.gz YWUHKFYKHSGPIL-UHFFFAOYSA-N 1 0 379.526 2.140 50 0 GEAARO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[NH2+]CC1 ZINC000237620679 570384359 /nfs/dbraw/zinc/38/43/59/570384359.db2.gz SPZJKSAIZISSJB-UHFFFAOYSA-N 1 0 377.286 2.356 50 0 GEAARO C[NH+]1CCN(c2ccccc2NC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000024930517 570399118 /nfs/dbraw/zinc/39/91/18/570399118.db2.gz NGXFQBYYXQKMSK-UHFFFAOYSA-N 1 0 394.397 2.258 50 0 GEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000237819314 570401107 /nfs/dbraw/zinc/40/11/07/570401107.db2.gz DWIDWZJFGXJBPR-SFHVURJKSA-N 1 0 398.429 2.105 50 0 GEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000222410958 570409903 /nfs/dbraw/zinc/40/99/03/570409903.db2.gz YVNARKJLJDULBP-FQEVSTJZSA-N 1 0 379.464 2.072 50 0 GEAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)Cc3ccccc3)c(C)c2)CC1 ZINC000026909343 570429965 /nfs/dbraw/zinc/42/99/65/570429965.db2.gz MIUQONOYDHLCLV-UHFFFAOYSA-N 1 0 394.519 2.434 50 0 GEAARO COc1cccc(C[N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000027347587 570433486 /nfs/dbraw/zinc/43/34/86/570433486.db2.gz OYFPJEZHPCWVJK-UHFFFAOYSA-N 1 0 378.494 2.456 50 0 GEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000011817044 570436188 /nfs/dbraw/zinc/43/61/88/570436188.db2.gz HCVVQPOLGCZHQD-GOSISDBHSA-N 1 0 384.528 2.362 50 0 GEAARO O=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000223597564 570473689 /nfs/dbraw/zinc/47/36/89/570473689.db2.gz QKAOQEJATMRVMV-QGZVFWFLSA-N 1 0 380.448 2.018 50 0 GEAARO O=C(CCNC(=O)c1ccc(F)cc1F)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030318949 570488288 /nfs/dbraw/zinc/48/82/88/570488288.db2.gz KKPZYBWSZNQFOA-UHFFFAOYSA-N 1 0 387.430 2.259 50 0 GEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc(OC)c2)c1 ZINC000006700884 570488511 /nfs/dbraw/zinc/48/85/11/570488511.db2.gz ZPLBXOVTSNRBFB-UHFFFAOYSA-N 1 0 383.448 2.486 50 0 in-vitro GEAARO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000006602008 570490926 /nfs/dbraw/zinc/49/09/26/570490926.db2.gz QMMJQCDHHIUDJC-CQSZACIVSA-N 1 0 383.514 2.196 50 0 GEAARO COc1cccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033318260 570524463 /nfs/dbraw/zinc/52/44/63/570524463.db2.gz HJPBGHCNWFKXHN-UHFFFAOYSA-N 1 0 381.480 2.356 50 0 GEAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccnc2)N(CC[NH+](C)C)C1=O ZINC000006661036 570524802 /nfs/dbraw/zinc/52/48/02/570524802.db2.gz VBOKDVARABXZSO-SFHVURJKSA-N 1 0 379.416 2.303 50 0 GEAARO O=C1C[C@H](N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)C(=O)N1c1ccccc1 ZINC000100746459 570541988 /nfs/dbraw/zinc/54/19/88/570541988.db2.gz PRCZEDITUISJJB-YADHBBJMSA-N 1 0 389.499 2.494 50 0 GEAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022765648 570543349 /nfs/dbraw/zinc/54/33/49/570543349.db2.gz KMZGWSFZSGPLBH-GOSISDBHSA-N 1 0 377.485 2.371 50 0 GEAARO COc1ccc(OCC(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765658 570543774 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ZINC000095362674 571056406 /nfs/dbraw/zinc/05/64/06/571056406.db2.gz YGKXGEYLFAYHGN-QGZVFWFLSA-N 1 0 379.526 2.122 50 0 GEAARO Cc1nn(C)c(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1Cl ZINC000095364524 571057313 /nfs/dbraw/zinc/05/73/13/571057313.db2.gz SANBUWHGGAOSEX-AWEZNQCLSA-N 1 0 378.908 2.160 50 0 GEAARO Cc1ccn(CCC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095364504 571057486 /nfs/dbraw/zinc/05/74/86/571057486.db2.gz NYVPOARECHQFJP-KSEOMHKRSA-N 1 0 380.492 2.376 50 0 GEAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](CCCCOc3ccccc3)C[C@@H]2C1 ZINC000095369186 571060278 /nfs/dbraw/zinc/06/02/78/571060278.db2.gz JURRSRSKIPJFRR-WIYYLYMNSA-N 1 0 375.513 2.286 50 0 GEAARO COc1cccc([C@@H]2CN(C(=O)c3cccc(=O)[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095372176 571061992 /nfs/dbraw/zinc/06/19/92/571061992.db2.gz BRJBEQGKHMSGCH-IOMROCGXSA-N 1 0 379.460 2.086 50 0 GEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000095377346 571065242 /nfs/dbraw/zinc/06/52/42/571065242.db2.gz UVTQIFSDDJFKCC-KRWDZBQOSA-N 1 0 384.480 2.122 50 0 GEAARO CCN1CC[C@]2(CN(C(=O)Cc3ccccc3Cl)CC[N@@H+]2C)CCC1=O ZINC000095379650 571066600 /nfs/dbraw/zinc/06/66/00/571066600.db2.gz WKCQCWYCQXSZFE-FQEVSTJZSA-N 1 0 377.916 2.428 50 0 GEAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3cccc(F)c3)C2)cn1 ZINC000095388064 571071057 /nfs/dbraw/zinc/07/10/57/571071057.db2.gz VZXHOZBDRQFYOZ-SJORKVTESA-N 1 0 384.455 2.052 50 0 GEAARO Cc1c(Cl)c(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)nn1C ZINC000095390287 571071926 /nfs/dbraw/zinc/07/19/26/571071926.db2.gz GBNYIDGNCHKAQW-CQSZACIVSA-N 1 0 378.908 2.160 50 0 GEAARO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070173551 643049560 /nfs/dbraw/zinc/04/95/60/643049560.db2.gz MDOLUXQQESVMAN-QWRGUYRKSA-N 1 0 377.304 2.206 50 0 GEAARO COC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC12CC[NH2+]CC2 ZINC000169783752 644282864 /nfs/dbraw/zinc/28/28/64/644282864.db2.gz ODYMLPUNPGFSFZ-GFCCVEGCSA-N 1 0 376.881 2.116 50 0 GEAARO COc1ccsc1S(=O)(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192939567 645232692 /nfs/dbraw/zinc/23/26/92/645232692.db2.gz CKNWBLFZWNEGLW-OAHLLOKOSA-N 1 0 381.523 2.294 50 0 GEAARO