smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000012511902 132361197 /nfs/dbraw/zinc/36/11/97/132361197.db2.gz PHJNBJFSKOWDDY-UHFFFAOYSA-N 1 1 411.487 3.233 50 5 HGBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000014575162 559169511 /nfs/dbraw/zinc/16/95/11/559169511.db2.gz UVDJHAQWNYELME-CYBMUJFWSA-N 1 1 404.417 3.116 50 5 HGBAMO O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12)N1CCCC1 ZINC000104919743 560856837 /nfs/dbraw/zinc/85/68/37/560856837.db2.gz CVJXMNFDINJMNG-FYYLOGMGSA-N 1 1 420.513 3.080 50 5 HGBAMO Cc1sc2nc3c4ccccc4c(NCCC[NH+]4CCOCC4)nn3c(=O)c2c1C ZINC000025330216 558638714 /nfs/dbraw/zinc/63/87/14/558638714.db2.gz QCUMHWCLZUGVBJ-UHFFFAOYSA-N 1 1 423.542 3.208 50 5 HGBAMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000047252523 560885367 /nfs/dbraw/zinc/88/53/67/560885367.db2.gz SZMOFLFVYDROIW-CYBMUJFWSA-N 1 1 414.853 3.301 50 5 HGBAMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000047252523 560885369 /nfs/dbraw/zinc/88/53/69/560885369.db2.gz SZMOFLFVYDROIW-CYBMUJFWSA-N 1 1 414.853 3.301 50 5 HGBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000012609001 132365217 /nfs/dbraw/zinc/36/52/17/132365217.db2.gz VPWAIIPQPXOSRB-CQSZACIVSA-N 1 1 402.882 3.491 50 5 HGBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000022955750 558750577 /nfs/dbraw/zinc/75/05/77/558750577.db2.gz NQTSJGMLYXUSRF-UHFFFAOYSA-N 1 1 410.400 3.028 50 5 HGBAMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000027946821 568773570 /nfs/dbraw/zinc/77/35/70/568773570.db2.gz ACFZLZYNAOJVSV-LJQANCHMSA-N 1 1 419.503 3.027 50 5 HGBAMO COCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000056852030 568819184 /nfs/dbraw/zinc/81/91/84/568819184.db2.gz RKOPYSMRUDYBLK-INIZCTEOSA-N 1 1 408.252 3.273 50 5 HGBAMO O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000058022613 568878143 /nfs/dbraw/zinc/87/81/43/568878143.db2.gz RGBPYIGERAPYNP-UHFFFAOYSA-N 1 1 423.404 3.110 50 5 HGBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000012931490 569024781 /nfs/dbraw/zinc/02/47/81/569024781.db2.gz PPWUODWSRXKXAX-MRXNPFEDSA-N 1 1 408.462 3.424 50 5 HGBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000012931490 569024782 /nfs/dbraw/zinc/02/47/82/569024782.db2.gz PPWUODWSRXKXAX-MRXNPFEDSA-N 1 1 408.462 3.424 50 5 HGBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000089553064 569070153 /nfs/dbraw/zinc/07/01/53/569070153.db2.gz PZMRRKWELFZTSM-UONOGXRCSA-N 1 1 405.886 3.263 50 5 HGBAMO CCC(CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000024483046 560839151 /nfs/dbraw/zinc/83/91/51/560839151.db2.gz HFFCOHNYMZKFLN-NRFANRHFSA-N 1 1 418.538 3.062 50 5 HGBAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000014813099 560852453 /nfs/dbraw/zinc/85/24/53/560852453.db2.gz HDFQJYBEGUHZNL-UHFFFAOYSA-N 1 1 402.882 3.395 50 5 HGBAMO O=C(CCc1ccccc1)NC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048274237 568434185 /nfs/dbraw/zinc/43/41/85/568434185.db2.gz DLBWIBKBBIYWED-UHFFFAOYSA-N 1 1 407.474 3.115 50 5 HGBAMO CC[N@@H+](CCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000095458050 568618630 /nfs/dbraw/zinc/61/86/30/568618630.db2.gz WCEQBQHEGLHNPO-UHFFFAOYSA-N 1 1 409.552 3.337 50 5 HGBAMO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675634 568725875 /nfs/dbraw/zinc/72/58/75/568725875.db2.gz GNMRTRKBTWCJET-UHFFFAOYSA-N 1 1 401.438 3.378 50 5 HGBAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000025066933 568741502 /nfs/dbraw/zinc/74/15/02/568741502.db2.gz TWKSNLIDKNZMBZ-IAGOWNOFSA-N 1 1 412.490 3.046 50 5 HGBAMO O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCCC1 ZINC000096457226 568754070 /nfs/dbraw/zinc/75/40/70/568754070.db2.gz CVJXMNFDINJMNG-GMAHTHKFSA-N 1 1 420.513 3.080 50 5 HGBAMO Cc1[nH+]ccn1-c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000058441347 568919294 /nfs/dbraw/zinc/91/92/94/568919294.db2.gz VOOMZZPRJMSLBL-UHFFFAOYSA-N 1 1 406.446 3.339 50 5 HGBAMO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000004270912 568956776 /nfs/dbraw/zinc/95/67/76/568956776.db2.gz TVKBNPXOSYBYAA-JXFKEZNVSA-N 1 1 413.547 3.258 50 5 HGBAMO CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870407 569063953 /nfs/dbraw/zinc/06/39/53/569063953.db2.gz YYRJTCMUCLUMSE-PAXLWEDBSA-N 1 1 400.523 3.115 50 5 HGBAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020893144 568648381 /nfs/dbraw/zinc/64/83/81/568648381.db2.gz CQNYDRIADLSRET-UHFFFAOYSA-N 1 1 423.473 3.485 50 5 HGBAMO CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057456745 568837852 /nfs/dbraw/zinc/83/78/52/568837852.db2.gz LZBVJJGEAYVPBP-UHFFFAOYSA-N 1 1 419.489 3.057 50 5 HGBAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139428 568945943 /nfs/dbraw/zinc/94/59/43/568945943.db2.gz SLVIKNGUZXJAES-DNVCBOLYSA-N 1 1 402.520 3.153 50 5 HGBAMO Cc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020329485 568599105 /nfs/dbraw/zinc/59/91/05/568599105.db2.gz VPDJTQAVHNXTPT-UHFFFAOYSA-N 1 1 419.489 3.341 50 5 HGBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676396 568725794 /nfs/dbraw/zinc/72/57/94/568725794.db2.gz YEJZPTQMJHIYDI-IBGZPJMESA-N 1 1 412.465 3.161 50 5 HGBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000054318052 569070819 /nfs/dbraw/zinc/07/08/19/569070819.db2.gz FTXVASCLUAHKNY-UHFFFAOYSA-N 1 1 404.511 3.130 50 5 HGBAMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000040071738 571152307 /nfs/dbraw/zinc/15/23/07/571152307.db2.gz OQNUBMPJSTUBBU-UHFFFAOYSA-N 1 1 423.922 3.500 50 5 HGBAMO COc1cc2cccnc2c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c1 ZINC000004311721 132275073 /nfs/dbraw/zinc/27/50/73/132275073.db2.gz SKGNGPLZCASGNB-UHFFFAOYSA-N 1 1 421.457 3.156 50 5 biogenic HGBAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000009668715 132342345 /nfs/dbraw/zinc/34/23/45/132342345.db2.gz BGOPIMNJWULWQN-UHFFFAOYSA-N 1 1 418.881 3.408 50 5 HGBAMO COc1cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000025459547 522102186 /nfs/dbraw/zinc/10/21/86/522102186.db2.gz KDGKQVIKUZGPRZ-UHFFFAOYSA-N 1 1 413.474 3.179 50 5 HGBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000014575163 559169555 /nfs/dbraw/zinc/16/95/55/559169555.db2.gz UVDJHAQWNYELME-ZDUSSCGKSA-N 1 1 404.417 3.116 50 5 HGBAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000020664106 568639575 /nfs/dbraw/zinc/63/95/75/568639575.db2.gz NZPAAEZSWIPMEN-UHFFFAOYSA-N 1 1 419.478 3.337 50 5 HGBAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139432 568946164 /nfs/dbraw/zinc/94/61/64/568946164.db2.gz SLVIKNGUZXJAES-KXBFYZLASA-N 1 1 402.520 3.153 50 5 HGBAMO CC(C)[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCc3ccccc3)[C@@H]2C1 ZINC000106606219 560892783 /nfs/dbraw/zinc/89/27/83/560892783.db2.gz BGHKSHKMTXEAFR-GGAORHGYSA-N 1 1 422.529 3.025 50 5 HGBAMO NC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000021131221 568670143 /nfs/dbraw/zinc/67/01/43/568670143.db2.gz QPPKXTCTJJNMOO-SFHVURJKSA-N 1 1 416.865 3.125 50 5 HGBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000230091916 568840883 /nfs/dbraw/zinc/84/08/83/568840883.db2.gz PZMRRKWELFZTSM-KGLIPLIRSA-N 1 1 405.886 3.263 50 5 HGBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677332 569125364 /nfs/dbraw/zinc/12/53/64/569125364.db2.gz DCUPWDOSDJOORF-GGAORHGYSA-N 1 1 422.529 3.230 50 5 HGBAMO CC1CCN([C@H](C[NH+]2CCC(C)CC2)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004776310 559056618 /nfs/dbraw/zinc/05/66/18/559056618.db2.gz WHFSSAKYWSYLOQ-HXUWFJFHSA-N 1 1 423.579 3.201 50 5 HGBAMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000025230045 568760321 /nfs/dbraw/zinc/76/03/21/568760321.db2.gz OUEVNJFJTWRQDM-AZUAARDMSA-N 1 1 414.458 3.333 50 5 HGBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000230091922 568840908 /nfs/dbraw/zinc/84/09/08/568840908.db2.gz PZMRRKWELFZTSM-KBPBESRZSA-N 1 1 405.886 3.263 50 5 HGBAMO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000004270915 568956860 /nfs/dbraw/zinc/95/68/60/568956860.db2.gz TVKBNPXOSYBYAA-OXJNMPFZSA-N 1 1 413.547 3.258 50 5 HGBAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012923614 569023423 /nfs/dbraw/zinc/02/34/23/569023423.db2.gz ZWDUCVYNVFRBCI-ZDUSSCGKSA-N 1 1 414.853 3.460 50 5 HGBAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012923614 569023424 /nfs/dbraw/zinc/02/34/24/569023424.db2.gz ZWDUCVYNVFRBCI-ZDUSSCGKSA-N 1 1 414.853 3.460 50 5 HGBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000026336465 569031326 /nfs/dbraw/zinc/03/13/26/569031326.db2.gz ZCZGQGISAQJZFN-UHFFFAOYSA-N 1 1 412.490 3.200 50 5 HGBAMO CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681796 569127708 /nfs/dbraw/zinc/12/77/08/569127708.db2.gz YYRJTCMUCLUMSE-ZRCAFCQKSA-N 1 1 400.523 3.115 50 5 HGBAMO CSc1ccc(CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000012750062 132366552 /nfs/dbraw/zinc/36/65/52/132366552.db2.gz PFFNSWPGITZJKI-UHFFFAOYSA-N 1 1 414.531 3.341 50 5 HGBAMO Cc1cccc(C[NH+]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 ZINC000032499383 524396747 /nfs/dbraw/zinc/39/67/47/524396747.db2.gz WZPBYZMXEBMFET-UHFFFAOYSA-N 1 1 422.529 3.464 50 5 HGBAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000023994265 559187066 /nfs/dbraw/zinc/18/70/66/559187066.db2.gz APVDLUQDYZTIAZ-FQEVSTJZSA-N 1 1 419.503 3.027 50 5 HGBAMO NC(=O)C1CC[NH+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000021131218 568670268 /nfs/dbraw/zinc/67/02/68/568670268.db2.gz QPPKXTCTJJNMOO-GOSISDBHSA-N 1 1 416.865 3.125 50 5 HGBAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970415 568831778 /nfs/dbraw/zinc/83/17/78/568831778.db2.gz RNCWJVFHIDPWNA-UHFFFAOYSA-N 1 1 421.526 3.150 50 5 HGBAMO CCc1ccc([C@H](CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[NH+](C)C)cc1 ZINC000083823627 568917663 /nfs/dbraw/zinc/91/76/63/568917663.db2.gz GQROZNKBWKFZQF-IBGZPJMESA-N 1 1 416.503 3.220 50 5 HGBAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C ZINC000012891931 569020040 /nfs/dbraw/zinc/02/00/40/569020040.db2.gz OLEGHNPKPAJCAT-INIZCTEOSA-N 1 1 408.462 3.424 50 5 HGBAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C ZINC000012891931 569020041 /nfs/dbraw/zinc/02/00/41/569020041.db2.gz OLEGHNPKPAJCAT-INIZCTEOSA-N 1 1 408.462 3.424 50 5 HGBAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020109750 524734321 /nfs/dbraw/zinc/73/43/21/524734321.db2.gz IYVAGEWTVIFIOU-SFHVURJKSA-N 1 1 405.882 3.119 50 5 HGBAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000058021472 568878161 /nfs/dbraw/zinc/87/81/61/568878161.db2.gz SEGFMJFEWFCVLE-UHFFFAOYSA-N 1 1 403.870 3.192 50 5 HGBAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cccc1[N+](=O)[O-] ZINC000084041661 568933649 /nfs/dbraw/zinc/93/36/49/568933649.db2.gz HPGGSPIVNDUCAM-INIZCTEOSA-N 1 1 408.462 3.154 50 5 HGBAMO O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCCC1 ZINC000169681915 569127864 /nfs/dbraw/zinc/12/78/64/569127864.db2.gz CVJXMNFDINJMNG-GGAORHGYSA-N 1 1 420.513 3.080 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nn2)CC1 ZINC000005259410 560551018 /nfs/dbraw/zinc/55/10/18/560551018.db2.gz RXIQLWMCZGIFPA-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000020109734 568588446 /nfs/dbraw/zinc/58/84/46/568588446.db2.gz VTUDFSVNHJBEGW-QGZVFWFLSA-N 1 1 405.882 3.119 50 5 HGBAMO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000021556826 568714036 /nfs/dbraw/zinc/71/40/36/568714036.db2.gz JGLWLXVLZUHQOK-OZSKJFCKSA-N 1 1 417.849 3.409 50 5 HGBAMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000025230040 568760373 /nfs/dbraw/zinc/76/03/73/568760373.db2.gz OUEVNJFJTWRQDM-UYAOXDASSA-N 1 1 414.458 3.333 50 5 HGBAMO COCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000056852031 568819217 /nfs/dbraw/zinc/81/92/17/568819217.db2.gz RKOPYSMRUDYBLK-MRXNPFEDSA-N 1 1 408.252 3.273 50 5 HGBAMO CCc1ccc([C@@H](CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[NH+](C)C)cc1 ZINC000083823625 568917583 /nfs/dbraw/zinc/91/75/83/568917583.db2.gz GQROZNKBWKFZQF-LJQANCHMSA-N 1 1 416.503 3.220 50 5 HGBAMO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000089793780 569265254 /nfs/dbraw/zinc/26/52/54/569265254.db2.gz UXOVIDUXCGDUFE-UHFFFAOYSA-N 1 1 405.401 3.033 50 5 HGBAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004600000 537068028 /nfs/dbraw/zinc/06/80/28/537068028.db2.gz CNJOBTJGAOARBV-UHFFFAOYSA-N 1 1 410.518 3.390 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000072308746 558771076 /nfs/dbraw/zinc/77/10/76/558771076.db2.gz NTKUWGCNVGGSEE-IBGZPJMESA-N 1 1 412.490 3.138 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000072308746 558771077 /nfs/dbraw/zinc/77/10/77/558771077.db2.gz NTKUWGCNVGGSEE-IBGZPJMESA-N 1 1 412.490 3.138 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000072308746 558771079 /nfs/dbraw/zinc/77/10/79/558771079.db2.gz NTKUWGCNVGGSEE-IBGZPJMESA-N 1 1 412.490 3.138 50 5 HGBAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])s4)cc3s2)CC1 ZINC000023135821 559018734 /nfs/dbraw/zinc/01/87/34/559018734.db2.gz GSCNOYYHADHZDA-UHFFFAOYSA-N 1 1 403.489 3.270 50 5 HGBAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139431 568946221 /nfs/dbraw/zinc/94/62/21/568946221.db2.gz SLVIKNGUZXJAES-HNAYVOBHSA-N 1 1 402.520 3.153 50 5 HGBAMO Nc1nc(Nc2cccc(F)c2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000009350194 132338955 /nfs/dbraw/zinc/33/89/55/132338955.db2.gz MDJPADITQUYXGC-UHFFFAOYSA-N 1 1 423.452 3.172 50 5 HGBAMO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000032814768 527342975 /nfs/dbraw/zinc/34/29/75/527342975.db2.gz NDADYGHIEAPDRB-QPJJXVBHSA-N 1 1 404.474 3.142 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000072308745 558771018 /nfs/dbraw/zinc/77/10/18/558771018.db2.gz NTKUWGCNVGGSEE-LJQANCHMSA-N 1 1 412.490 3.138 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000072308745 558771020 /nfs/dbraw/zinc/77/10/20/558771020.db2.gz NTKUWGCNVGGSEE-LJQANCHMSA-N 1 1 412.490 3.138 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000072308745 558771021 /nfs/dbraw/zinc/77/10/21/558771021.db2.gz NTKUWGCNVGGSEE-LJQANCHMSA-N 1 1 412.490 3.138 50 5 HGBAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000023994264 559187107 /nfs/dbraw/zinc/18/71/07/559187107.db2.gz APVDLUQDYZTIAZ-HXUWFJFHSA-N 1 1 419.503 3.027 50 5 HGBAMO Cc1nn(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000048310451 568436653 /nfs/dbraw/zinc/43/66/53/568436653.db2.gz MCGMEBJINHXDQE-IYBDPMFKSA-N 1 1 413.522 3.202 50 5 HGBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676395 568725768 /nfs/dbraw/zinc/72/57/68/568725768.db2.gz YEJZPTQMJHIYDI-LJQANCHMSA-N 1 1 412.465 3.161 50 5 HGBAMO CCOc1ccc(C[N@H+](CC)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012768511 568949827 /nfs/dbraw/zinc/94/98/27/568949827.db2.gz IBPOWGZHZOYHAD-UHFFFAOYSA-N 1 1 401.463 3.487 50 5 HGBAMO CCOc1ccc(C[N@@H+](CC)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012768511 568949828 /nfs/dbraw/zinc/94/98/28/568949828.db2.gz IBPOWGZHZOYHAD-UHFFFAOYSA-N 1 1 401.463 3.487 50 5 HGBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 ZINC000002346097 569379192 /nfs/dbraw/zinc/37/91/92/569379192.db2.gz DUYBKUVWMWZCHH-CQSZACIVSA-N 1 1 423.292 3.261 50 5 HGBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 ZINC000002346097 569379194 /nfs/dbraw/zinc/37/91/94/569379194.db2.gz DUYBKUVWMWZCHH-CQSZACIVSA-N 1 1 423.292 3.261 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nn2)CC1 ZINC000005259429 560551091 /nfs/dbraw/zinc/55/10/91/560551091.db2.gz IZOSLKNOOFMTMF-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO CCC(CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000024483039 560839183 /nfs/dbraw/zinc/83/91/83/560839183.db2.gz HFFCOHNYMZKFLN-OAQYLSRUSA-N 1 1 418.538 3.062 50 5 HGBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000020267096 568596342 /nfs/dbraw/zinc/59/63/42/568596342.db2.gz KFASVHPJRXIIDN-UHFFFAOYSA-N 1 1 411.510 3.034 50 5 HGBAMO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000028791305 568807759 /nfs/dbraw/zinc/80/77/59/568807759.db2.gz IVMBCAISGCFWRC-UHFFFAOYSA-N 1 1 422.529 3.198 50 5 HGBAMO Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000017209301 571308879 /nfs/dbraw/zinc/30/88/79/571308879.db2.gz JOQFOLTXBGTDDO-UHFFFAOYSA-N 1 1 419.489 3.341 50 5 HGBAMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000009190338 536423376 /nfs/dbraw/zinc/42/33/76/536423376.db2.gz QOCXJDBTBUOIEG-UHFFFAOYSA-N 1 1 404.854 3.018 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn2)CC1 ZINC000004939845 559212370 /nfs/dbraw/zinc/21/23/70/559212370.db2.gz WIXJMCHKXRVHMQ-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048272297 568434007 /nfs/dbraw/zinc/43/40/07/568434007.db2.gz YIKYFWDMINKTBN-UHFFFAOYSA-N 1 1 411.437 3.070 50 5 HGBAMO O=C(CCc1ccccc1)NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048274184 568434199 /nfs/dbraw/zinc/43/41/99/568434199.db2.gz HQANHMRTGLMYON-UHFFFAOYSA-N 1 1 407.474 3.115 50 5 HGBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000012609003 132365214 /nfs/dbraw/zinc/36/52/14/132365214.db2.gz VPWAIIPQPXOSRB-AWEZNQCLSA-N 1 1 402.882 3.491 50 5 HGBAMO CCOC(=O)c1ccc(-n2c(C[NH+](CC)CC)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000013574144 558844913 /nfs/dbraw/zinc/84/49/13/558844913.db2.gz XZCLZZFNXYDFDM-UHFFFAOYSA-N 1 1 424.457 3.312 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000004724901 558923075 /nfs/dbraw/zinc/92/30/75/558923075.db2.gz DEMHEOFCKITRMV-VMPITWQZSA-N 1 1 424.501 3.263 50 5 HGBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccc(OC)c(OC)c1 ZINC000004744614 559043658 /nfs/dbraw/zinc/04/36/58/559043658.db2.gz WJCUWSOHNWUVDO-UHFFFAOYSA-N 1 1 417.462 3.124 50 5 HGBAMO C[NH+](C)[C@@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000005636821 560635725 /nfs/dbraw/zinc/63/57/25/560635725.db2.gz WRAFCZXAQUDMQD-AWEZNQCLSA-N 1 1 400.357 3.038 50 5 HGBAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020109749 568588342 /nfs/dbraw/zinc/58/83/42/568588342.db2.gz IYVAGEWTVIFIOU-GOSISDBHSA-N 1 1 405.882 3.119 50 5 HGBAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000025066952 568741552 /nfs/dbraw/zinc/74/15/52/568741552.db2.gz TWKSNLIDKNZMBZ-IRXDYDNUSA-N 1 1 412.490 3.046 50 5 HGBAMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000009118849 571224888 /nfs/dbraw/zinc/22/48/88/571224888.db2.gz LJPYZBBTNGTTKX-HNNXBMFYSA-N 1 1 412.556 3.348 50 5 HGBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000020267710 558352841 /nfs/dbraw/zinc/35/28/41/558352841.db2.gz QNZLZTRKHWAOPI-UHFFFAOYSA-N 1 1 423.452 3.172 50 5 HGBAMO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000004270917 568956745 /nfs/dbraw/zinc/95/67/45/568956745.db2.gz TVKBNPXOSYBYAA-OXQOHEQNSA-N 1 1 413.547 3.258 50 5 HGBAMO Nc1nc(Nc2ccccc2F)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147627 569059864 /nfs/dbraw/zinc/05/98/64/569059864.db2.gz GAIJXXOEMYZFDV-UHFFFAOYSA-N 1 1 423.452 3.172 50 5 HGBAMO O=C(C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)N1CCCCCC1 ZINC000040086042 571156543 /nfs/dbraw/zinc/15/65/43/571156543.db2.gz IBMMWLOORYTOEJ-UHFFFAOYSA-N 1 1 413.478 3.259 50 5 HGBAMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000009118847 571224702 /nfs/dbraw/zinc/22/47/02/571224702.db2.gz LJPYZBBTNGTTKX-OAHLLOKOSA-N 1 1 412.556 3.348 50 5 HGBAMO CCC(=O)Oc1cn(CC[NH+]2CCOCC2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000020403666 558359844 /nfs/dbraw/zinc/35/98/44/558359844.db2.gz YCYDVLNIFUFUDR-UHFFFAOYSA-N 1 1 421.501 3.047 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn2)CC1 ZINC000005259174 560551233 /nfs/dbraw/zinc/55/12/33/560551233.db2.gz JQPDJMPZAYEXCY-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035894501 569065182 /nfs/dbraw/zinc/06/51/82/569065182.db2.gz DCUPWDOSDJOORF-JTHBVZDNSA-N 1 1 422.529 3.230 50 5 HGBAMO O=C(NCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1F ZINC000005064696 132300095 /nfs/dbraw/zinc/30/00/95/132300095.db2.gz JRRPVQRWFDBYAJ-UHFFFAOYSA-N 1 1 401.442 3.068 50 5 HGBAMO C[NH+](C)[C@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000005636824 560635673 /nfs/dbraw/zinc/63/56/73/560635673.db2.gz WRAFCZXAQUDMQD-CQSZACIVSA-N 1 1 400.357 3.038 50 5 HGBAMO O=c1c([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c2ccccc2n1-c1ccccc1 ZINC000020308691 568598334 /nfs/dbraw/zinc/59/83/34/568598334.db2.gz VGMVOBJLJOASMM-UHFFFAOYSA-N 1 1 408.458 3.033 50 5 HGBAMO Cc1cccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 ZINC000020357447 568599615 /nfs/dbraw/zinc/59/96/15/568599615.db2.gz MUVFKZYRBOXNIF-UHFFFAOYSA-N 1 1 419.489 3.341 50 5 HGBAMO C[NH+](C)[C@H](CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000021556828 568714092 /nfs/dbraw/zinc/71/40/92/568714092.db2.gz JGLWLXVLZUHQOK-IWAYRVGRSA-N 1 1 417.849 3.409 50 5 HGBAMO COc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000057063752 568823900 /nfs/dbraw/zinc/82/39/00/568823900.db2.gz UOHYTEGFCCOMBW-UHFFFAOYSA-N 1 1 418.457 3.350 50 5 HGBAMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019312618 569415723 /nfs/dbraw/zinc/41/57/23/569415723.db2.gz KZAONIXWOVUFBH-UHFFFAOYSA-N 1 1 405.454 3.471 50 5 HGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1Sc1cccc2cccnc21 ZINC000019419172 569420849 /nfs/dbraw/zinc/42/08/49/569420849.db2.gz YOWOUTNQFPMVJK-UHFFFAOYSA-N 1 1 410.499 3.409 50 5 HGBAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000004998716 132298040 /nfs/dbraw/zinc/29/80/40/132298040.db2.gz QYRKFNCPLIZLQG-UHFFFAOYSA-N 1 1 418.881 3.408 50 5 HGBAMO Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000005163996 132303690 /nfs/dbraw/zinc/30/36/90/132303690.db2.gz ZCGITIOGNKNSSQ-UHFFFAOYSA-N 1 1 419.489 3.341 50 5 HGBAMO Cc1ccc(NC(=O)[C@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021793527 558951328 /nfs/dbraw/zinc/95/13/28/558951328.db2.gz KLRIPVYSSCFHIF-OAQYLSRUSA-N 1 1 410.474 3.185 50 5 HGBAMO CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035894499 569065173 /nfs/dbraw/zinc/06/51/73/569065173.db2.gz DCUPWDOSDJOORF-FYYLOGMGSA-N 1 1 422.529 3.230 50 5 HGBAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000006241900 132309780 /nfs/dbraw/zinc/30/97/80/132309780.db2.gz IKVLMHMDEWIKQF-UHFFFAOYSA-N 1 1 418.881 3.408 50 5 HGBAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2[N+](=O)[O-])C1=O ZINC000020503347 568618605 /nfs/dbraw/zinc/61/86/05/568618605.db2.gz QMMMSFPNYVHQDN-DAMBIUFKSA-N 1 1 420.469 3.197 50 5 HGBAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cccc1[N+](=O)[O-] ZINC000084041665 568933609 /nfs/dbraw/zinc/93/36/09/568933609.db2.gz HPGGSPIVNDUCAM-MRXNPFEDSA-N 1 1 408.462 3.154 50 5 HGBAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012923611 569023439 /nfs/dbraw/zinc/02/34/39/569023439.db2.gz ZWDUCVYNVFRBCI-CYBMUJFWSA-N 1 1 414.853 3.460 50 5 HGBAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012923611 569023440 /nfs/dbraw/zinc/02/34/40/569023440.db2.gz ZWDUCVYNVFRBCI-CYBMUJFWSA-N 1 1 414.853 3.460 50 5 HGBAMO CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870405 569063982 /nfs/dbraw/zinc/06/39/82/569063982.db2.gz YYRJTCMUCLUMSE-NYSBEXSLSA-N 1 1 400.523 3.115 50 5 HGBAMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c1 ZINC000012522200 132361672 /nfs/dbraw/zinc/36/16/72/132361672.db2.gz BEQZOGVQBGVRBI-UHFFFAOYSA-N 1 1 408.458 3.482 50 5 HGBAMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1OC ZINC000024864070 568473482 /nfs/dbraw/zinc/47/34/82/568473482.db2.gz KNAMGPZQRHJVHR-UHFFFAOYSA-N 1 1 408.458 3.482 50 5 HGBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000020291519 568597478 /nfs/dbraw/zinc/59/74/78/568597478.db2.gz SIIGOGBHZRDUQY-UHFFFAOYSA-N 1 1 423.452 3.172 50 5 HGBAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000009892026 132343971 /nfs/dbraw/zinc/34/39/71/132343971.db2.gz GDHRRCFYNIAMJZ-UHFFFAOYSA-N 1 1 418.881 3.408 50 5 HGBAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2[N+](=O)[O-])C1=O ZINC000020503345 568618752 /nfs/dbraw/zinc/61/87/52/568618752.db2.gz QMMMSFPNYVHQDN-ORMOWBNMSA-N 1 1 420.469 3.197 50 5 HGBAMO O=[N+]([O-])c1cccc(OCCN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000040105795 571166493 /nfs/dbraw/zinc/16/64/93/571166493.db2.gz KFBLMHNZTQZSLI-UHFFFAOYSA-N 1 1 405.882 3.324 50 5 HGBAMO C[N@@H+](CCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000032829537 522772915 /nfs/dbraw/zinc/77/29/15/522772915.db2.gz GWCMDMVYDIJVOM-UHFFFAOYSA-N 1 1 404.511 3.134 50 5 HGBAMO C[NH+](C)C=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000095682017 568643635 /nfs/dbraw/zinc/64/36/35/568643635.db2.gz XXJLKVFHHFMPRW-UHFFFAOYSA-N 1 1 401.291 3.251 50 5 HGBAMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C ZINC000012891923 569020058 /nfs/dbraw/zinc/02/00/58/569020058.db2.gz OLEGHNPKPAJCAT-MRXNPFEDSA-N 1 1 408.462 3.424 50 5 HGBAMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C ZINC000012891923 569020059 /nfs/dbraw/zinc/02/00/59/569020059.db2.gz OLEGHNPKPAJCAT-MRXNPFEDSA-N 1 1 408.462 3.424 50 5 HGBAMO CC(C)[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3ccccc3)[C@@H]2C1 ZINC000035870401 569063961 /nfs/dbraw/zinc/06/39/61/569063961.db2.gz BGHKSHKMTXEAFR-GMAHTHKFSA-N 1 1 422.529 3.025 50 5 HGBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000089553066 569070177 /nfs/dbraw/zinc/07/01/77/569070177.db2.gz PZMRRKWELFZTSM-ZIAGYGMSSA-N 1 1 405.886 3.263 50 5 HGBAMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000036427638 569180917 /nfs/dbraw/zinc/18/09/17/569180917.db2.gz OUEVNJFJTWRQDM-ICSRJNTNSA-N 1 1 414.458 3.333 50 5 HGBAMO Cc1nn(Cc2ccc(C(=O)N3CCC(Cc4[nH]cc[nH+]4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000328592020 569415301 /nfs/dbraw/zinc/41/53/01/569415301.db2.gz NZXUVXJLUPIDIO-UHFFFAOYSA-N 1 1 422.489 3.274 50 5 HGBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000012554488 132363414 /nfs/dbraw/zinc/36/34/14/132363414.db2.gz UIXFQHPWTLFMLJ-CQSZACIVSA-N 1 1 402.882 3.491 50 5 HGBAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000020109735 568588374 /nfs/dbraw/zinc/58/83/74/568588374.db2.gz VTUDFSVNHJBEGW-KRWDZBQOSA-N 1 1 405.882 3.119 50 5 HGBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000012931497 569024765 /nfs/dbraw/zinc/02/47/65/569024765.db2.gz PPWUODWSRXKXAX-INIZCTEOSA-N 1 1 408.462 3.424 50 5 HGBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000012931497 569024766 /nfs/dbraw/zinc/02/47/66/569024766.db2.gz PPWUODWSRXKXAX-INIZCTEOSA-N 1 1 408.462 3.424 50 5 HGBAMO O=C(CC[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000089762013 569263518 /nfs/dbraw/zinc/26/35/18/569263518.db2.gz KQNCENABOZDMAJ-UHFFFAOYSA-N 1 1 420.819 3.058 50 5 HGBAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000001166315 132240064 /nfs/dbraw/zinc/24/00/64/132240064.db2.gz GXLQDUYZOPSYSV-UHFFFAOYSA-N 1 1 410.518 3.390 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn2)CC1 ZINC000004939844 559212332 /nfs/dbraw/zinc/21/23/32/559212332.db2.gz DNEWPGVWSIGPBK-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nn2)CC1 ZINC000005259409 560551025 /nfs/dbraw/zinc/55/10/25/560551025.db2.gz IWUPIOBRZUJEBL-UHFFFAOYSA-N 1 1 418.457 3.056 50 5 HGBAMO COc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1 ZINC000027946826 568773568 /nfs/dbraw/zinc/77/35/68/568773568.db2.gz ACFZLZYNAOJVSV-IBGZPJMESA-N 1 1 419.503 3.027 50 5 HGBAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004126166 132271866 /nfs/dbraw/zinc/27/18/66/132271866.db2.gz NJQNFLWTTZZVDZ-UHFFFAOYSA-N 1 1 401.442 3.068 50 5 HGBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000012554489 132363486 /nfs/dbraw/zinc/36/34/86/132363486.db2.gz UIXFQHPWTLFMLJ-AWEZNQCLSA-N 1 1 402.882 3.491 50 5 HGBAMO Cc1ccc(NC(=O)[C@@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021793523 558951358 /nfs/dbraw/zinc/95/13/58/558951358.db2.gz KLRIPVYSSCFHIF-NRFANRHFSA-N 1 1 410.474 3.185 50 5 HGBAMO O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12)N1CCCC1 ZINC000104919746 560856809 /nfs/dbraw/zinc/85/68/09/560856809.db2.gz CVJXMNFDINJMNG-JTHBVZDNSA-N 1 1 420.513 3.080 50 5 HGBAMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000047252521 560885401 /nfs/dbraw/zinc/88/54/01/560885401.db2.gz SZMOFLFVYDROIW-ZDUSSCGKSA-N 1 1 414.853 3.301 50 5 HGBAMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000047252521 560885402 /nfs/dbraw/zinc/88/54/02/560885402.db2.gz SZMOFLFVYDROIW-ZDUSSCGKSA-N 1 1 414.853 3.301 50 5 HGBAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139429 568946117 /nfs/dbraw/zinc/94/61/17/568946117.db2.gz SLVIKNGUZXJAES-BEFAXECRSA-N 1 1 402.520 3.153 50 5 HGBAMO C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000004270914 568956786 /nfs/dbraw/zinc/95/67/86/568956786.db2.gz TVKBNPXOSYBYAA-UZLBHIALSA-N 1 1 413.547 3.258 50 5 HGBAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000004791942 132288882 /nfs/dbraw/zinc/28/88/82/132288882.db2.gz WNWXTNPUBJWWRE-UHFFFAOYSA-N 1 1 401.442 3.068 50 5 HGBAMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317653 558728663 /nfs/dbraw/zinc/72/86/63/558728663.db2.gz OSVMANSPZJSSRT-UHFFFAOYSA-N 1 1 411.505 3.329 50 5 HGBAMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000030317653 558728665 /nfs/dbraw/zinc/72/86/65/558728665.db2.gz OSVMANSPZJSSRT-UHFFFAOYSA-N 1 1 411.505 3.329 50 5 HGBAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012769412 568950578 /nfs/dbraw/zinc/95/05/78/568950578.db2.gz RPHMMTWLGNIWMY-UHFFFAOYSA-N 1 1 402.882 3.395 50 5 HGBAMO CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677333 569125393 /nfs/dbraw/zinc/12/53/93/569125393.db2.gz DCUPWDOSDJOORF-GMAHTHKFSA-N 1 1 422.529 3.230 50 5 HGBAMO CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681794 569127728 /nfs/dbraw/zinc/12/77/28/569127728.db2.gz YYRJTCMUCLUMSE-DLVCFXQMSA-N 1 1 400.523 3.115 50 5 HGBAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc([N+](=O)[O-])s4)cc3s2)CC1 ZINC000007512752 569243895 /nfs/dbraw/zinc/24/38/95/569243895.db2.gz FLQOIZRDVJHEHV-UHFFFAOYSA-N 1 1 404.473 3.237 50 5 HGBAMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040134012 571181230 /nfs/dbraw/zinc/18/12/30/571181230.db2.gz MADZDPWKVIDWPY-UHFFFAOYSA-N 1 1 411.487 3.190 50 5 HGBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000012563387 132364274 /nfs/dbraw/zinc/36/42/74/132364274.db2.gz UYXBXXLLCOIWQV-AWEZNQCLSA-N 1 1 402.882 3.491 50 5 HGBAMO Nc1nc(Nc2ccccc2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000061927205 560562628 /nfs/dbraw/zinc/56/26/28/560562628.db2.gz UDEZQCOVNKJTKX-UHFFFAOYSA-N 1 1 405.462 3.033 50 5 HGBAMO Cc1nn(CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000048345233 568440900 /nfs/dbraw/zinc/44/09/00/568440900.db2.gz SPAPEEXDSVEILD-IYBDPMFKSA-N 1 1 413.522 3.202 50 5 HGBAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000025066941 568741526 /nfs/dbraw/zinc/74/15/26/568741526.db2.gz TWKSNLIDKNZMBZ-CALCHBBNSA-N 1 1 412.490 3.046 50 5 HGBAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000025066941 568741527 /nfs/dbraw/zinc/74/15/27/568741527.db2.gz TWKSNLIDKNZMBZ-CALCHBBNSA-N 1 1 412.490 3.046 50 5 HGBAMO CN1CC[NH+](CCCNC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000253416879 569367291 /nfs/dbraw/zinc/36/72/91/569367291.db2.gz HGYXBOKCLSJEBF-UHFFFAOYSA-N 1 1 414.531 3.113 50 5 HGBAMO CCCCCC[N@H+](CCN1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072308249 558769825 /nfs/dbraw/zinc/76/98/25/558769825.db2.gz SOWBEASPDALRBI-UHFFFAOYSA-N 1 1 417.510 3.359 50 5 HGBAMO CCCCCC[N@@H+](CCN1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072308249 558769828 /nfs/dbraw/zinc/76/98/28/558769828.db2.gz SOWBEASPDALRBI-UHFFFAOYSA-N 1 1 417.510 3.359 50 5 HGBAMO CC1CCN([C@@H](C[NH+]2CCC(C)CC2)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004776308 559057057 /nfs/dbraw/zinc/05/70/57/559057057.db2.gz WHFSSAKYWSYLOQ-FQEVSTJZSA-N 1 1 423.579 3.201 50 5 HGBAMO CC(C)[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3ccccc3)[C@H]2C1 ZINC000247965243 559257111 /nfs/dbraw/zinc/25/71/11/559257111.db2.gz BGHKSHKMTXEAFR-JTHBVZDNSA-N 1 1 422.529 3.025 50 5 HGBAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000058021484 568878095 /nfs/dbraw/zinc/87/80/95/568878095.db2.gz NDEWLNJBWCXKBU-UHFFFAOYSA-N 1 1 403.870 3.192 50 5 HGBAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026249855 569030701 /nfs/dbraw/zinc/03/07/01/569030701.db2.gz ZRBILMKIYZPTEC-UHFFFAOYSA-N 1 1 408.911 3.456 50 5 HGBAMO Nc1nc(NC2CCCCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147615 569059842 /nfs/dbraw/zinc/05/98/42/569059842.db2.gz YDKHMWLTXFEPEH-UHFFFAOYSA-N 1 1 411.510 3.034 50 5 HGBAMO C[NH+]1CCN(C(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000019537338 569422298 /nfs/dbraw/zinc/42/22/98/569422298.db2.gz ANCLARLPQXUSMF-UHFFFAOYSA-N 1 1 414.418 3.002 50 5 HGBAMO Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000019827963 569430868 /nfs/dbraw/zinc/43/08/68/569430868.db2.gz RVXNJUVKTIAOTR-UHFFFAOYSA-N 1 1 405.462 3.033 50 5 HGBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000012563386 132364236 /nfs/dbraw/zinc/36/42/36/132364236.db2.gz UYXBXXLLCOIWQV-CQSZACIVSA-N 1 1 402.882 3.491 50 5 HGBAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000024660974 132484305 /nfs/dbraw/zinc/48/43/05/132484305.db2.gz QJMKOEUROOATSM-UHFFFAOYSA-N 1 1 408.462 3.103 50 5 HGBAMO Cc1ccc2nc3c(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cccn3c(=O)c2c1 ZINC000040455688 526256240 /nfs/dbraw/zinc/25/62/40/526256240.db2.gz MIEQZKNPIUMXFW-UHFFFAOYSA-N 1 1 412.493 3.114 50 5 HGBAMO CC(C)[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCc3ccccc3)[C@H]2C1 ZINC000247965241 559257125 /nfs/dbraw/zinc/25/71/25/559257125.db2.gz BGHKSHKMTXEAFR-FYYLOGMGSA-N 1 1 422.529 3.025 50 5 HGBAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000048314858 568438097 /nfs/dbraw/zinc/43/80/97/568438097.db2.gz XFGOWMVSLBLWLV-UHFFFAOYSA-N 1 1 420.473 3.017 50 5 HGBAMO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCSc2ccccc2)CC1 ZINC000036397126 569170177 /nfs/dbraw/zinc/17/01/77/569170177.db2.gz GQQHWYHXDQKDMP-UHFFFAOYSA-N 1 1 401.488 3.296 50 5 HGBAMO CSc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012996235 569406066 /nfs/dbraw/zinc/40/60/66/569406066.db2.gz AOWGNYMARWYQPI-UHFFFAOYSA-N 1 1 401.488 3.079 50 5 HGBAMO