smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758168 1078543024 /nfs/dbraw/zinc/54/30/24/1078543024.db2.gz UBNDXXJSHLQJKU-GRDNDAEWSA-N 1 1 404.442 2.030 20 5 HEBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134440 1078802103 /nfs/dbraw/zinc/80/21/03/1078802103.db2.gz OOOACOXNCCUXPW-IEBWSBKVSA-N 1 1 419.478 2.244 20 5 HEBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134440 1078802105 /nfs/dbraw/zinc/80/21/05/1078802105.db2.gz OOOACOXNCCUXPW-IEBWSBKVSA-N 1 1 419.478 2.244 20 5 HEBDMO COc1cc(C[N@H+](C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1O ZINC000746452359 1078981707 /nfs/dbraw/zinc/98/17/07/1078981707.db2.gz SWIZSPKRWPQDEE-UHFFFAOYSA-N 1 1 414.462 2.090 20 5 HEBDMO COc1cc(C[N@@H+](C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1O ZINC000746452359 1078981720 /nfs/dbraw/zinc/98/17/20/1078981720.db2.gz SWIZSPKRWPQDEE-UHFFFAOYSA-N 1 1 414.462 2.090 20 5 HEBDMO Cc1cccc(CN2CCO[C@H]3C[N@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027446 1079102277 /nfs/dbraw/zinc/10/22/77/1079102277.db2.gz PRVUUCNXVILYDF-NCYKPQTJSA-N 1 1 401.507 2.490 20 5 HEBDMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169029725 1079102848 /nfs/dbraw/zinc/10/28/48/1079102848.db2.gz VPFIMBOGSZOVQP-LMCOJAPRSA-N 1 1 407.536 2.109 20 5 HEBDMO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021492 1079111604 /nfs/dbraw/zinc/11/16/04/1079111604.db2.gz OIBNFFXHHJUIOO-BEIYGRMHSA-N 1 1 407.536 2.332 20 5 HEBDMO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024134 1079112599 /nfs/dbraw/zinc/11/25/99/1079112599.db2.gz QDHCBNHVDDMJRX-PBHICJAKSA-N 1 1 402.495 2.313 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)Cc1cccnc1Cl ZINC001169704002 1079380612 /nfs/dbraw/zinc/38/06/12/1079380612.db2.gz FAOBZEIWTICQRY-UHFFFAOYSA-N 1 1 408.842 2.475 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1Cl ZINC001169704002 1079380617 /nfs/dbraw/zinc/38/06/17/1079380617.db2.gz FAOBZEIWTICQRY-UHFFFAOYSA-N 1 1 408.842 2.475 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000741031039 1076331437 /nfs/dbraw/zinc/33/14/37/1076331437.db2.gz ZRZCDWBUIJRBMX-KRWDZBQOSA-N 1 1 418.494 2.051 20 5 HEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742304046 1076812571 /nfs/dbraw/zinc/81/25/71/1076812571.db2.gz MKKOJRFLTCWHRS-JQWIXIFHSA-N 1 1 406.302 2.461 20 5 HEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000744399280 1077373507 /nfs/dbraw/zinc/37/35/07/1077373507.db2.gz IGJBPAHJLWHBIS-JOCHJYFZSA-N 1 1 412.490 2.458 20 5 HEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000744399280 1077373514 /nfs/dbraw/zinc/37/35/14/1077373514.db2.gz IGJBPAHJLWHBIS-JOCHJYFZSA-N 1 1 412.490 2.458 20 5 HEBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000744407098 1077382277 /nfs/dbraw/zinc/38/22/77/1077382277.db2.gz BWSJEXNLVCMCNO-UHFFFAOYSA-N 1 1 401.423 2.419 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952061 1079517870 /nfs/dbraw/zinc/51/78/70/1079517870.db2.gz SISYTIVOITUBHO-OHNRDTAOSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952061 1079517877 /nfs/dbraw/zinc/51/78/77/1079517877.db2.gz SISYTIVOITUBHO-OHNRDTAOSA-N 1 1 417.466 2.252 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958933 1079523460 /nfs/dbraw/zinc/52/34/60/1079523460.db2.gz QZNDRIURCBWYPM-BEFAXECRSA-N 1 1 417.466 2.254 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958933 1079523463 /nfs/dbraw/zinc/52/34/63/1079523463.db2.gz QZNDRIURCBWYPM-BEFAXECRSA-N 1 1 417.466 2.254 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766949277 1079542125 /nfs/dbraw/zinc/54/21/25/1079542125.db2.gz HKAGOUPZRQQFAX-QAPCUYQASA-N 1 1 417.466 2.254 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766962216 1079558202 /nfs/dbraw/zinc/55/82/02/1079558202.db2.gz RYAIWYMTLWFGBD-CRAIPNDOSA-N 1 1 417.466 2.254 20 5 HEBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000768235025 1080435466 /nfs/dbraw/zinc/43/54/66/1080435466.db2.gz VUBPXNCBJOJBEB-CQSZACIVSA-N 1 1 412.284 2.428 20 5 HEBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000768235025 1080435478 /nfs/dbraw/zinc/43/54/78/1080435478.db2.gz VUBPXNCBJOJBEB-CQSZACIVSA-N 1 1 412.284 2.428 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451069 1081083606 /nfs/dbraw/zinc/08/36/06/1081083606.db2.gz JDWWGULEHZUVMX-RISCZKNCSA-N 1 1 418.313 2.462 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893626 721382734 /nfs/dbraw/zinc/38/27/34/721382734.db2.gz WFUALQAHCHXXRM-QFBILLFUSA-N 1 1 409.918 2.409 20 5 HEBDMO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886609 721406539 /nfs/dbraw/zinc/40/65/39/721406539.db2.gz KHEIKKROCKOCGX-LAUBAEHRSA-N 1 1 419.526 2.072 20 5 HEBDMO COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886611 721406966 /nfs/dbraw/zinc/40/69/66/721406966.db2.gz KHEIKKROCKOCGX-UTKZUKDTSA-N 1 1 419.526 2.072 20 5 HEBDMO Cc1c(C)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890910 721418042 /nfs/dbraw/zinc/41/80/42/721418042.db2.gz UIBZRWWTMSXGGI-NQIIRXRSSA-N 1 1 403.527 2.372 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900314 721515277 /nfs/dbraw/zinc/51/52/77/721515277.db2.gz QBUZATZXJRHPRR-NVXWUHKLSA-N 1 1 416.409 2.257 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907588 721567249 /nfs/dbraw/zinc/56/72/49/721567249.db2.gz OTSVKSGYKGXQMF-HOCLYGCPSA-N 1 1 416.409 2.257 20 5 HEBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134442 1078802071 /nfs/dbraw/zinc/80/20/71/1078802071.db2.gz OOOACOXNCCUXPW-MJGOQNOKSA-N 1 1 419.478 2.244 20 5 HEBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134442 1078802072 /nfs/dbraw/zinc/80/20/72/1078802072.db2.gz OOOACOXNCCUXPW-MJGOQNOKSA-N 1 1 419.478 2.244 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011291 1079099099 /nfs/dbraw/zinc/09/90/99/1079099099.db2.gz JJCLNPBPNYDGOB-JXXFODFXSA-N 1 1 410.515 2.023 20 5 HEBDMO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014398 1079099768 /nfs/dbraw/zinc/09/97/68/1079099768.db2.gz ZDKBRYLISBNFJL-ABSDTBQOSA-N 1 1 413.515 2.160 20 5 HEBDMO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014399 1079099893 /nfs/dbraw/zinc/09/98/93/1079099893.db2.gz ZDKBRYLISBNFJL-FUHIMQAGSA-N 1 1 413.515 2.160 20 5 HEBDMO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018065 1079111194 /nfs/dbraw/zinc/11/11/94/1079111194.db2.gz BIXJYPKVNBEPLK-YRISNDGFSA-N 1 1 415.494 2.096 20 5 HEBDMO CCN1[C@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024813 1079112453 /nfs/dbraw/zinc/11/24/53/1079112453.db2.gz QYJNSXNUTBHARG-BDXSIMOUSA-N 1 1 423.535 2.368 20 5 HEBDMO COc1ccc(CN2CCO[C@H]3C[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026673 1079114012 /nfs/dbraw/zinc/11/40/12/1079114012.db2.gz YNLQTNTYKCYIKJ-JYRKZWEQSA-N 1 1 417.506 2.190 20 5 HEBDMO COc1ccc(CN2CCO[C@H]3C[N@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026675 1079114122 /nfs/dbraw/zinc/11/41/22/1079114122.db2.gz YNLQTNTYKCYIKJ-UKAVVXHISA-N 1 1 417.506 2.190 20 5 HEBDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000766590215 1079127088 /nfs/dbraw/zinc/12/70/88/1079127088.db2.gz ITVGFJLNELHULQ-CQSZACIVSA-N 1 1 412.874 2.146 20 5 HEBDMO CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000766590215 1079127093 /nfs/dbraw/zinc/12/70/93/1079127093.db2.gz ITVGFJLNELHULQ-CQSZACIVSA-N 1 1 412.874 2.146 20 5 HEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC001169678669 1079365348 /nfs/dbraw/zinc/36/53/48/1079365348.db2.gz KJPZBVQTMUJARJ-UHFFFAOYSA-N 1 1 413.434 2.218 20 5 HEBDMO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1F ZINC000771733229 1079469811 /nfs/dbraw/zinc/46/98/11/1079469811.db2.gz IZQSYVPVACCVFL-UHFFFAOYSA-N 1 1 423.466 2.353 20 5 HEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC000740882051 1076282370 /nfs/dbraw/zinc/28/23/70/1076282370.db2.gz FVDKNDWPHLLDQH-FXAWDEMLSA-N 1 1 403.527 2.048 20 5 HEBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000741253249 1076444202 /nfs/dbraw/zinc/44/42/02/1076444202.db2.gz UCKQBLXNJJOWIS-GOSISDBHSA-N 1 1 412.490 2.126 20 5 HEBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000741253249 1076444206 /nfs/dbraw/zinc/44/42/06/1076444206.db2.gz UCKQBLXNJJOWIS-GOSISDBHSA-N 1 1 412.490 2.126 20 5 HEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000741750230 1076618582 /nfs/dbraw/zinc/61/85/82/1076618582.db2.gz HDSONVPBZWXPTC-UHFFFAOYSA-N 1 1 412.874 2.437 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305625 1076813218 /nfs/dbraw/zinc/81/32/18/1076813218.db2.gz WZVQKJMLFKPSSB-PWSUYJOCSA-N 1 1 406.302 2.318 20 5 HEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286375 1076816559 /nfs/dbraw/zinc/81/65/59/1076816559.db2.gz OORDOKXYFCAAKK-NSHDSACASA-N 1 1 406.302 2.368 20 5 HEBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000743358420 1077031654 /nfs/dbraw/zinc/03/16/54/1077031654.db2.gz PBOUPVJPZFNDGQ-UHFFFAOYSA-N 1 1 402.451 2.478 20 5 HEBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000743358420 1077031660 /nfs/dbraw/zinc/03/16/60/1077031660.db2.gz PBOUPVJPZFNDGQ-UHFFFAOYSA-N 1 1 402.451 2.478 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000744392413 1077373706 /nfs/dbraw/zinc/37/37/06/1077373706.db2.gz MOADPQFIRATHBE-QGZVFWFLSA-N 1 1 409.487 2.016 20 5 HEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651952 1080106797 /nfs/dbraw/zinc/10/67/97/1080106797.db2.gz WKOQVQZCHADKQA-ZFWWWQNUSA-N 1 1 423.441 2.119 20 5 HEBDMO O=c1c(Cl)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798367 1080268404 /nfs/dbraw/zinc/26/84/04/1080268404.db2.gz DEMARVGMXSMKMM-LSDHHAIUSA-N 1 1 405.842 2.069 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164690051 719748316 /nfs/dbraw/zinc/74/83/16/719748316.db2.gz RDZXWLYGAGOQNI-UHFFFAOYSA-N 1 1 410.478 2.233 20 5 HEBDMO COC(=O)c1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001164859771 720945293 /nfs/dbraw/zinc/94/52/93/720945293.db2.gz NMCNMRQGBHZXNM-CYBMUJFWSA-N 1 1 402.455 2.394 20 5 HEBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867533 721056995 /nfs/dbraw/zinc/05/69/95/721056995.db2.gz JNQDSDHRQDQFSN-ROUUACIJSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C\c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769491 721192874 /nfs/dbraw/zinc/19/28/74/721192874.db2.gz MNZVUAZLENQURM-QKJYYDANSA-N 1 1 411.510 2.214 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900315 721515568 /nfs/dbraw/zinc/51/55/68/721515568.db2.gz QBUZATZXJRHPRR-RDJZCZTQSA-N 1 1 416.409 2.257 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906395 721534120 /nfs/dbraw/zinc/53/41/20/721534120.db2.gz KRXPSWSEXMSPIN-HOCLYGCPSA-N 1 1 403.414 2.183 20 5 HEBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904729 721538941 /nfs/dbraw/zinc/53/89/41/721538941.db2.gz GEKHYKAVSSVXNZ-ZBFHGGJFSA-N 1 1 416.409 2.257 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001164808428 721541697 /nfs/dbraw/zinc/54/16/97/721541697.db2.gz SDNBBTSIWNAOES-NXHRZFHOSA-N 1 1 414.422 2.161 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001164808428 721541700 /nfs/dbraw/zinc/54/17/00/721541700.db2.gz SDNBBTSIWNAOES-NXHRZFHOSA-N 1 1 414.422 2.161 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164798153 721557326 /nfs/dbraw/zinc/55/73/26/721557326.db2.gz AKCMBKZURSRYLO-NUJGCVRESA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164798153 721557329 /nfs/dbraw/zinc/55/73/29/721557329.db2.gz AKCMBKZURSRYLO-NUJGCVRESA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2CCCO[C@@H]21 ZINC001164803963 721565877 /nfs/dbraw/zinc/56/58/77/721565877.db2.gz JZLTZVPUDREWLV-MDZRGWNJSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2CCCO[C@@H]21 ZINC001164803963 721565878 /nfs/dbraw/zinc/56/58/78/721565878.db2.gz JZLTZVPUDREWLV-MDZRGWNJSA-N 1 1 419.869 2.145 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983425 722100710 /nfs/dbraw/zinc/10/07/10/722100710.db2.gz QAPUBGXYWPAGGK-ZBFHGGJFSA-N 1 1 404.858 2.161 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975469 722100785 /nfs/dbraw/zinc/10/07/85/722100785.db2.gz BWCFXXIIRVHUNJ-CVEARBPZSA-N 1 1 418.885 2.469 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981534 722105165 /nfs/dbraw/zinc/10/51/65/722105165.db2.gz LQELSINJCYRXQQ-CVEARBPZSA-N 1 1 418.885 2.469 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979182 722128589 /nfs/dbraw/zinc/12/85/89/722128589.db2.gz PMKVSZGOMQOWRM-NVXWUHKLSA-N 1 1 419.869 2.004 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000769895005 1078616560 /nfs/dbraw/zinc/61/65/60/1078616560.db2.gz IPPFHHQZVFVPNL-CQSZACIVSA-N 1 1 417.915 2.432 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000769895005 1078616564 /nfs/dbraw/zinc/61/65/64/1078616564.db2.gz IPPFHHQZVFVPNL-CQSZACIVSA-N 1 1 417.915 2.432 20 5 HEBDMO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019264 1079111080 /nfs/dbraw/zinc/11/10/80/1079111080.db2.gz HCFUUUVKUNSSBL-DOTOQJQBSA-N 1 1 402.495 2.314 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169111718 1079159014 /nfs/dbraw/zinc/15/90/14/1079159014.db2.gz CVKJKSLOCMHUEL-FQEVSTJZSA-N 1 1 412.402 2.153 20 5 HEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771509771 1079366096 /nfs/dbraw/zinc/36/60/96/1079366096.db2.gz LFMRQXDYJCFGID-JSGCOSHPSA-N 1 1 407.496 2.466 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000737958708 1075947876 /nfs/dbraw/zinc/94/78/76/1075947876.db2.gz HLCWQZPNWYIRFD-UHFFFAOYSA-N 1 1 405.451 2.272 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@@H](C)C1 ZINC000741589720 1076547645 /nfs/dbraw/zinc/54/76/45/1076547645.db2.gz NSDIPNLYVZJIKQ-VBQJREDUSA-N 1 1 406.458 2.276 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000742048487 1076717015 /nfs/dbraw/zinc/71/70/15/1076717015.db2.gz OJTOTDQFWUPUFZ-UHFFFAOYSA-N 1 1 406.483 2.196 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304426 1076813052 /nfs/dbraw/zinc/81/30/52/1076813052.db2.gz HBJAGMAPOHVGRI-MFKMUULPSA-N 1 1 406.302 2.318 20 5 HEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297052 1076820942 /nfs/dbraw/zinc/82/09/42/1076820942.db2.gz UTWKXIRPIZDXII-NSHDSACASA-N 1 1 406.302 2.320 20 5 HEBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766444 1077119257 /nfs/dbraw/zinc/11/92/57/1077119257.db2.gz XOMSYXVEJZACIF-FQEVSTJZSA-N 1 1 414.418 2.178 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766962221 1079557900 /nfs/dbraw/zinc/55/79/00/1079557900.db2.gz RYAIWYMTLWFGBD-QAPCUYQASA-N 1 1 417.466 2.254 20 5 HEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000767459314 1079884532 /nfs/dbraw/zinc/88/45/32/1079884532.db2.gz XTPRMMCAMMOHEH-OAHLLOKOSA-N 1 1 419.507 2.497 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767657760 1080024231 /nfs/dbraw/zinc/02/42/31/1080024231.db2.gz VVOGKFWIJUQJLI-UHFFFAOYSA-N 1 1 420.385 2.390 20 5 HEBDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000768712162 1080729149 /nfs/dbraw/zinc/72/91/49/1080729149.db2.gz KNCVDXHPHMVSLI-UHFFFAOYSA-N 1 1 408.886 2.265 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000786711726 1080766703 /nfs/dbraw/zinc/76/67/03/1080766703.db2.gz HAUSFSVIWHQUKK-UHFFFAOYSA-N 1 1 408.418 2.457 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164690813 719756916 /nfs/dbraw/zinc/75/69/16/719756916.db2.gz IPQDBNGZTDVFAH-UHFFFAOYSA-N 1 1 418.885 2.372 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698940 719878780 /nfs/dbraw/zinc/87/87/80/719878780.db2.gz GHWMMLWFSGACQS-DYESRHJHSA-N 1 1 414.462 2.376 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740061 720659919 /nfs/dbraw/zinc/65/99/19/720659919.db2.gz PLFNSCWXJBVNDM-WDEREUQCSA-N 1 1 411.249 2.429 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1 ZINC001164852551 720843606 /nfs/dbraw/zinc/84/36/06/720843606.db2.gz KUDUTIXRUFQTGK-JSGCOSHPSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164863022 720891692 /nfs/dbraw/zinc/89/16/92/720891692.db2.gz SJBJNVBFFSDPLF-DYVFJYSZSA-N 1 1 421.885 2.365 20 5 HEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868347 721062459 /nfs/dbraw/zinc/06/24/59/721062459.db2.gz NZKJDMSGONYHIR-ZWKOTPCHSA-N 1 1 406.446 2.413 20 5 HEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164765090 721084897 /nfs/dbraw/zinc/08/48/97/721084897.db2.gz IJJOMXDIJUWZQK-OLZOCXBDSA-N 1 1 423.930 2.452 20 5 HEBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871494 721138166 /nfs/dbraw/zinc/13/81/66/721138166.db2.gz DYXAYBAOFINKPQ-JZOYJOIISA-N 1 1 424.505 2.397 20 5 HEBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764072 721214480 /nfs/dbraw/zinc/21/44/80/721214480.db2.gz GCYZUQLJAPOTRJ-SJORKVTESA-N 1 1 400.483 2.469 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894494 721383117 /nfs/dbraw/zinc/38/31/17/721383117.db2.gz YJYZUUZDADESFL-LPHOPBHVSA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887343 721383309 /nfs/dbraw/zinc/38/33/09/721383309.db2.gz HRZSSYCXNIRVKL-QFBILLFUSA-N 1 1 409.918 2.409 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788053 721418065 /nfs/dbraw/zinc/41/80/65/721418065.db2.gz QQCGSIYCLLGISX-CHWSQXEVSA-N 1 1 403.464 2.191 20 5 HEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932294 721885735 /nfs/dbraw/zinc/88/57/35/721885735.db2.gz IHHHXSVUVHDNCT-MSOLQXFVSA-N 1 1 400.458 2.406 20 5 HEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932294 721885736 /nfs/dbraw/zinc/88/57/36/721885736.db2.gz IHHHXSVUVHDNCT-MSOLQXFVSA-N 1 1 400.458 2.406 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975472 722100491 /nfs/dbraw/zinc/10/04/91/722100491.db2.gz BWCFXXIIRVHUNJ-JKSUJKDBSA-N 1 1 418.885 2.469 20 5 HEBDMO CON(C)C(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000746503137 1078847889 /nfs/dbraw/zinc/84/78/89/1078847889.db2.gz OVCVMDQRTGQKKJ-UHFFFAOYSA-N 1 1 404.492 2.461 20 5 HEBDMO CCC[C@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC[N@H+]1CCOC ZINC000766382350 1078932747 /nfs/dbraw/zinc/93/27/47/1078932747.db2.gz VAWIOFSNYDEZBX-SFHVURJKSA-N 1 1 417.510 2.246 20 5 HEBDMO CCC[C@@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC[N@H+]1CCOC ZINC000766375880 1078943558 /nfs/dbraw/zinc/94/35/58/1078943558.db2.gz MBPBCTZPSUBWLF-LJQANCHMSA-N 1 1 415.494 2.209 20 5 HEBDMO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024140 1079112568 /nfs/dbraw/zinc/11/25/68/1079112568.db2.gz QDHCBNHVDDMJRX-YOEHRIQHSA-N 1 1 402.495 2.313 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025290 1079112993 /nfs/dbraw/zinc/11/29/93/1079112993.db2.gz YKQIXNYDNGSVQA-XRXFAXGQSA-N 1 1 421.563 2.401 20 5 HEBDMO Cn1cc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001169515031 1079319641 /nfs/dbraw/zinc/31/96/41/1079319641.db2.gz DRKCYBZCDUWQQU-YJBOKZPZSA-N 1 1 400.435 2.165 20 5 HEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525397 1079323353 /nfs/dbraw/zinc/32/33/53/1079323353.db2.gz HBBFSZOHJZUARX-UZLBHIALSA-N 1 1 410.474 2.351 20 5 HEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000766760689 1079344305 /nfs/dbraw/zinc/34/43/05/1079344305.db2.gz BFQAXJRQVNNHNO-UHFFFAOYSA-N 1 1 420.473 2.380 20 5 HEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000737983876 1075945226 /nfs/dbraw/zinc/94/52/26/1075945226.db2.gz JKPGRJIOVCWQKF-UHFFFAOYSA-N 1 1 416.453 2.393 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1C ZINC000740882057 1076282134 /nfs/dbraw/zinc/28/21/34/1076282134.db2.gz FVDKNDWPHLLDQH-PXNSSMCTSA-N 1 1 403.527 2.048 20 5 HEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC000740882063 1076282386 /nfs/dbraw/zinc/28/23/86/1076282386.db2.gz FVDKNDWPHLLDQH-YLJYHZDGSA-N 1 1 403.527 2.048 20 5 HEBDMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741173611 1076394382 /nfs/dbraw/zinc/39/43/82/1076394382.db2.gz RBAIFAJIIDUXGT-OAQYLSRUSA-N 1 1 410.474 2.144 20 5 HEBDMO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741173611 1076394384 /nfs/dbraw/zinc/39/43/84/1076394384.db2.gz RBAIFAJIIDUXGT-OAQYLSRUSA-N 1 1 410.474 2.144 20 5 HEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742304048 1076812536 /nfs/dbraw/zinc/81/25/36/1076812536.db2.gz MKKOJRFLTCWHRS-ZYHUDNBSSA-N 1 1 406.302 2.461 20 5 HEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742303637 1076812699 /nfs/dbraw/zinc/81/26/99/1076812699.db2.gz LEKSFRBAJGMNES-WDEREUQCSA-N 1 1 406.302 2.461 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843011 1077147850 /nfs/dbraw/zinc/14/78/50/1077147850.db2.gz KMMRDHQYZBOHBS-BPQIPLTHSA-N 1 1 423.514 2.264 20 5 HEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000743887296 1077179179 /nfs/dbraw/zinc/17/91/79/1077179179.db2.gz WIBHXKDDNJUPHB-UHFFFAOYSA-N 1 1 420.344 2.230 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766963224 1079559504 /nfs/dbraw/zinc/55/95/04/1079559504.db2.gz ZJXGKTIPNUFMMK-YEWWUXTCSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766963224 1079559520 /nfs/dbraw/zinc/55/95/20/1079559520.db2.gz ZJXGKTIPNUFMMK-YEWWUXTCSA-N 1 1 417.466 2.252 20 5 HEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000767478610 1079896034 /nfs/dbraw/zinc/89/60/34/1079896034.db2.gz GKDVJMGOWZKICH-UHFFFAOYSA-N 1 1 403.424 2.022 20 5 HEBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736142 1080209041 /nfs/dbraw/zinc/20/90/41/1080209041.db2.gz PGAUVRMNNWNEFW-STQMWFEESA-N 1 1 407.423 2.111 20 5 HEBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708527 719865109 /nfs/dbraw/zinc/86/51/09/719865109.db2.gz ZRRMQNCLTLIJBV-UWJYYQICSA-N 1 1 414.462 2.376 20 5 HEBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc5cccnc5c4n3)C2)C1 ZINC001164719281 720229835 /nfs/dbraw/zinc/22/98/35/720229835.db2.gz QCQSHPZDTCHHEJ-XMMPIXPASA-N 1 1 419.529 2.448 20 5 HEBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc5cccnc5c4n3)C2)C1 ZINC001164719281 720229842 /nfs/dbraw/zinc/22/98/42/720229842.db2.gz QCQSHPZDTCHHEJ-XMMPIXPASA-N 1 1 419.529 2.448 20 5 HEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740867 720817203 /nfs/dbraw/zinc/81/72/03/720817203.db2.gz LVOCITYVOAHRRO-USXIJHARSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@H]2C1 ZINC001164861689 720881329 /nfs/dbraw/zinc/88/13/29/720881329.db2.gz QASFFFHHKOCDCQ-OXJNMPFZSA-N 1 1 413.478 2.225 20 5 HEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765098 721084063 /nfs/dbraw/zinc/08/40/63/721084063.db2.gz IJJOMXDIJUWZQK-QWHCGFSZSA-N 1 1 423.930 2.452 20 5 HEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765108 721084159 /nfs/dbraw/zinc/08/41/59/721084159.db2.gz IJJOMXDIJUWZQK-STQMWFEESA-N 1 1 423.930 2.452 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888198 721417105 /nfs/dbraw/zinc/41/71/05/721417105.db2.gz NLWKFCRAHYASRQ-RXVVDRJESA-N 1 1 403.527 2.372 20 5 HEBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896802 721524264 /nfs/dbraw/zinc/52/42/64/721524264.db2.gz BNIPHSZICCEMBD-DOTOQJQBSA-N 1 1 416.409 2.257 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906396 721534333 /nfs/dbraw/zinc/53/43/33/721534333.db2.gz KRXPSWSEXMSPIN-ZBFHGGJFSA-N 1 1 403.414 2.183 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975470 722100755 /nfs/dbraw/zinc/10/07/55/722100755.db2.gz BWCFXXIIRVHUNJ-HOTGVXAUSA-N 1 1 418.885 2.469 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979187 722129147 /nfs/dbraw/zinc/12/91/47/722129147.db2.gz PMKVSZGOMQOWRM-WBVHZDCISA-N 1 1 419.869 2.004 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000770294397 1078819620 /nfs/dbraw/zinc/81/96/20/1078819620.db2.gz ZFMFYYPVEZPYKP-UHFFFAOYSA-N 1 1 406.406 2.360 20 5 HEBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746430063 1078943505 /nfs/dbraw/zinc/94/35/05/1078943505.db2.gz PRAHIQZCVNRFRP-MRXNPFEDSA-N 1 1 420.491 2.463 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011292 1079099076 /nfs/dbraw/zinc/09/90/76/1079099076.db2.gz JJCLNPBPNYDGOB-QINHECLXSA-N 1 1 410.515 2.023 20 5 HEBDMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025786 1079113062 /nfs/dbraw/zinc/11/30/62/1079113062.db2.gz UXPCXWLTRHWXCK-IUVQAAGXSA-N 1 1 408.524 2.332 20 5 HEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000766844911 1079435140 /nfs/dbraw/zinc/43/51/40/1079435140.db2.gz KGTZEOWAKUAJAF-FLIBITNWSA-N 1 1 408.458 2.069 20 5 HEBDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771756887 1079487799 /nfs/dbraw/zinc/48/77/99/1079487799.db2.gz SSLFFINQAIORIL-GDBMZVCRSA-N 1 1 417.503 2.458 20 5 HEBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[N@H+](C3CCCC3)CC2)C1=O ZINC000738271790 1075978013 /nfs/dbraw/zinc/97/80/13/1075978013.db2.gz ZGENAUMLLBUUFW-OAQYLSRUSA-N 1 1 415.494 2.270 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H](C)C1 ZINC000741589717 1076547776 /nfs/dbraw/zinc/54/77/76/1076547776.db2.gz NSDIPNLYVZJIKQ-CPUCHLNUSA-N 1 1 406.458 2.276 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000744748444 1077566546 /nfs/dbraw/zinc/56/65/46/1077566546.db2.gz KVFKAUNRSUKMQT-CVEARBPZSA-N 1 1 405.451 2.268 20 5 HEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000745385841 1077816148 /nfs/dbraw/zinc/81/61/48/1077816148.db2.gz KGWZZKLBSWHUGM-UHFFFAOYSA-N 1 1 419.478 2.211 20 5 HEBDMO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc2N1 ZINC000767312442 1079813318 /nfs/dbraw/zinc/81/33/18/1079813318.db2.gz QVELHDUIUVMNGS-INIZCTEOSA-N 1 1 412.446 2.495 20 5 HEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432469 1079860970 /nfs/dbraw/zinc/86/09/70/1079860970.db2.gz FVDVHNNSRIVVOD-YLJYHZDGSA-N 1 1 412.494 2.023 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000786714538 1080768781 /nfs/dbraw/zinc/76/87/81/1080768781.db2.gz UJNLFWNIOAIUKK-UHFFFAOYSA-N 1 1 408.418 2.457 20 5 HEBDMO Cc1cc(C(=O)NCC(=O)OCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000769041748 1080892468 /nfs/dbraw/zinc/89/24/68/1080892468.db2.gz ASEODTCGFICEJB-UHFFFAOYSA-N 1 1 403.410 2.447 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451619 1081084591 /nfs/dbraw/zinc/08/45/91/1081084591.db2.gz LXHLGRCTDSBFBW-BXUZGUMPSA-N 1 1 418.313 2.462 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164683117 719709345 /nfs/dbraw/zinc/70/93/45/719709345.db2.gz IOLUMYWMKHXDEE-UHFFFAOYSA-N 1 1 418.885 2.372 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700457 719851187 /nfs/dbraw/zinc/85/11/87/719851187.db2.gz HKWJWWFETZITEW-QVKFZJNVSA-N 1 1 414.462 2.376 20 5 HEBDMO COc1ncnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696188 719892245 /nfs/dbraw/zinc/89/22/45/719892245.db2.gz AZXGDMOICZVVMM-UHFFFAOYSA-N 1 1 405.480 2.326 20 5 HEBDMO COc1ncnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164696188 719892247 /nfs/dbraw/zinc/89/22/47/719892247.db2.gz AZXGDMOICZVVMM-UHFFFAOYSA-N 1 1 405.480 2.326 20 5 HEBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164718024 720125729 /nfs/dbraw/zinc/12/57/29/720125729.db2.gz QMCRYKYNFJAJCT-KRWDZBQOSA-N 1 1 412.494 2.475 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1Cl)CCC2 ZINC001164811492 720210286 /nfs/dbraw/zinc/21/02/86/720210286.db2.gz INHAEEULZURDSQ-UHFFFAOYSA-N 1 1 406.874 2.450 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164841108 720524379 /nfs/dbraw/zinc/52/43/79/720524379.db2.gz XNMKKEGLVWAFOG-PVAVHDDUSA-N 1 1 415.454 2.472 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740059 720659716 /nfs/dbraw/zinc/65/97/16/720659716.db2.gz PLFNSCWXJBVNDM-MNOVXSKESA-N 1 1 411.249 2.429 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@H]2C1 ZINC001164861682 720881481 /nfs/dbraw/zinc/88/14/81/720881481.db2.gz QASFFFHHKOCDCQ-JXFKEZNVSA-N 1 1 413.478 2.225 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863234 721021985 /nfs/dbraw/zinc/02/19/85/721021985.db2.gz UMJPUZCHPYIXRB-CYBMUJFWSA-N 1 1 402.455 2.394 20 5 HEBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867529 721056622 /nfs/dbraw/zinc/05/66/22/721056622.db2.gz JNQDSDHRQDQFSN-MSOLQXFVSA-N 1 1 406.446 2.413 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164893569 721382786 /nfs/dbraw/zinc/38/27/86/721382786.db2.gz VEVLZQFEIDCVHP-KXBFYZLASA-N 1 1 424.933 2.112 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886230 721383217 /nfs/dbraw/zinc/38/32/17/721383217.db2.gz DRBMNRUWIQHAID-BEFAXECRSA-N 1 1 409.918 2.409 20 5 HEBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164782830 721462097 /nfs/dbraw/zinc/46/20/97/721462097.db2.gz CSVJELONEDSVMX-QGZVFWFLSA-N 1 1 419.526 2.306 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907589 721567074 /nfs/dbraw/zinc/56/70/74/721567074.db2.gz OTSVKSGYKGXQMF-ZBFHGGJFSA-N 1 1 416.409 2.257 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045531 721957910 /nfs/dbraw/zinc/95/79/10/721957910.db2.gz XCHFBMDJJOKDAI-UHFFFAOYSA-N 1 1 400.435 2.368 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975471 722100616 /nfs/dbraw/zinc/10/06/16/722100616.db2.gz BWCFXXIIRVHUNJ-HZPDHXFCSA-N 1 1 418.885 2.469 20 5 HEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000746223383 1078825937 /nfs/dbraw/zinc/82/59/37/1078825937.db2.gz CECXLRUJCRQXOM-UHFFFAOYSA-N 1 1 412.219 2.192 20 5 HEBDMO CN1CC[NH+](Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1 ZINC000746236336 1078828425 /nfs/dbraw/zinc/82/84/25/1078828425.db2.gz YMABQBAWUBHZEA-UHFFFAOYSA-N 1 1 416.453 2.177 20 5 HEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000770327376 1078829764 /nfs/dbraw/zinc/82/97/64/1078829764.db2.gz ZSFHDRUQJUBCEU-UHFFFAOYSA-N 1 1 406.302 2.213 20 5 HEBDMO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000770686966 1078935915 /nfs/dbraw/zinc/93/59/15/1078935915.db2.gz AWYGLMRCDFZZCG-HSZRJFAPSA-N 1 1 422.485 2.375 20 5 HEBDMO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000770686966 1078935920 /nfs/dbraw/zinc/93/59/20/1078935920.db2.gz AWYGLMRCDFZZCG-HSZRJFAPSA-N 1 1 422.485 2.375 20 5 HEBDMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169029727 1079103019 /nfs/dbraw/zinc/10/30/19/1079103019.db2.gz VPFIMBOGSZOVQP-RNQOJCNYSA-N 1 1 407.536 2.109 20 5 HEBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150765 1079166509 /nfs/dbraw/zinc/16/65/09/1079166509.db2.gz VKVRVTHBERBDES-SFHVURJKSA-N 1 1 406.446 2.488 20 5 HEBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000771630381 1079414962 /nfs/dbraw/zinc/41/49/62/1079414962.db2.gz LMINRWBUSOBXIZ-CQSZACIVSA-N 1 1 418.450 2.232 20 5 HEBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000771630381 1079414980 /nfs/dbraw/zinc/41/49/80/1079414980.db2.gz LMINRWBUSOBXIZ-CQSZACIVSA-N 1 1 418.450 2.232 20 5 HEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655626 1079426686 /nfs/dbraw/zinc/42/66/86/1079426686.db2.gz BQLLUGSLZAKBKM-LLVKDONJSA-N 1 1 417.279 2.252 20 5 HEBDMO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000771755882 1079487129 /nfs/dbraw/zinc/48/71/29/1079487129.db2.gz JRHPXVOQHLUXBP-INIZCTEOSA-N 1 1 405.373 2.050 20 5 HEBDMO CC(C)[N@@H+](C)CC1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738091037 1075960139 /nfs/dbraw/zinc/96/01/39/1075960139.db2.gz SECDAQXLNCMYHD-OAQYLSRUSA-N 1 1 417.510 2.372 20 5 HEBDMO C[C@H](O)C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000741253252 1076444380 /nfs/dbraw/zinc/44/43/80/1076444380.db2.gz UCKQBLXNJJOWIS-SFHVURJKSA-N 1 1 412.490 2.126 20 5 HEBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000741253252 1076444383 /nfs/dbraw/zinc/44/43/83/1076444383.db2.gz UCKQBLXNJJOWIS-SFHVURJKSA-N 1 1 412.490 2.126 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@@H](C)C1 ZINC000741589722 1076547755 /nfs/dbraw/zinc/54/77/55/1076547755.db2.gz NSDIPNLYVZJIKQ-ZQIUZPCESA-N 1 1 406.458 2.276 20 5 HEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000742275246 1076808299 /nfs/dbraw/zinc/80/82/99/1076808299.db2.gz LOXKQSVSDCATSV-JTQLQIEISA-N 1 1 404.286 2.120 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305626 1076813200 /nfs/dbraw/zinc/81/32/00/1076813200.db2.gz WZVQKJMLFKPSSB-ZYHUDNBSSA-N 1 1 406.302 2.318 20 5 HEBDMO O=C1OCCN1c1cccc2c1CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857412 1077144413 /nfs/dbraw/zinc/14/44/13/1077144413.db2.gz AYXFHJRCUWJACR-KRWDZBQOSA-N 1 1 413.430 2.349 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394323 1077374112 /nfs/dbraw/zinc/37/41/12/1077374112.db2.gz HRMWLIYYLBPIPZ-FGTMMUONSA-N 1 1 423.514 2.406 20 5 HEBDMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000745333495 1077805305 /nfs/dbraw/zinc/80/53/05/1077805305.db2.gz MTVDNCZRDQHVMM-UHFFFAOYSA-N 1 1 411.458 2.333 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958937 1079523310 /nfs/dbraw/zinc/52/33/10/1079523310.db2.gz QZNDRIURCBWYPM-HNAYVOBHSA-N 1 1 417.466 2.254 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958937 1079523320 /nfs/dbraw/zinc/52/33/20/1079523320.db2.gz QZNDRIURCBWYPM-HNAYVOBHSA-N 1 1 417.466 2.254 20 5 HEBDMO CCOc1ccnc(N2CCC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)n1 ZINC000767800319 1080103847 /nfs/dbraw/zinc/10/38/47/1080103847.db2.gz AFHJHGUEKWGVQZ-UHFFFAOYSA-N 1 1 412.454 2.006 20 5 HEBDMO CCOc1ccnc(N2CCC[N@@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)n1 ZINC000767800319 1080103863 /nfs/dbraw/zinc/10/38/63/1080103863.db2.gz AFHJHGUEKWGVQZ-UHFFFAOYSA-N 1 1 412.454 2.006 20 5 HEBDMO COCC[C@H]1CCCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000767940473 1080234131 /nfs/dbraw/zinc/23/41/31/1080234131.db2.gz MNIYJOQFVSJGRW-GOSISDBHSA-N 1 1 404.511 2.382 20 5 HEBDMO O=c1c(Cl)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798366 1080268493 /nfs/dbraw/zinc/26/84/93/1080268493.db2.gz DEMARVGMXSMKMM-HUUCEWRRSA-N 1 1 405.842 2.069 20 5 HEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CCO1 ZINC000768808988 1080786788 /nfs/dbraw/zinc/78/67/88/1080786788.db2.gz DXCAWUKSBKVMIV-CYBMUJFWSA-N 1 1 411.505 2.356 20 5 HEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CCO1 ZINC000768808988 1080786794 /nfs/dbraw/zinc/78/67/94/1080786794.db2.gz DXCAWUKSBKVMIV-CYBMUJFWSA-N 1 1 411.505 2.356 20 5 HEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142011 1080958016 /nfs/dbraw/zinc/95/80/16/1080958016.db2.gz YMMUOQIJUQMTPL-VHSXEESVSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142011 1080958022 /nfs/dbraw/zinc/95/80/22/1080958022.db2.gz YMMUOQIJUQMTPL-VHSXEESVSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142009 1080958294 /nfs/dbraw/zinc/95/82/94/1080958294.db2.gz YMMUOQIJUQMTPL-NXEZZACHSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142009 1080958301 /nfs/dbraw/zinc/95/83/01/1080958301.db2.gz YMMUOQIJUQMTPL-NXEZZACHSA-N 1 1 403.220 2.364 20 5 HEBDMO COC(=O)[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000787111945 1081005563 /nfs/dbraw/zinc/00/55/63/1081005563.db2.gz BCBMTXUBZJQIRP-NRFANRHFSA-N 1 1 412.446 2.115 20 5 HEBDMO C[C@]1(C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000769512477 1081104288 /nfs/dbraw/zinc/10/42/88/1081104288.db2.gz FPXRPOQNFMWFBM-MRXNPFEDSA-N 1 1 411.256 2.167 20 5 HEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532206 1081111776 /nfs/dbraw/zinc/11/17/76/1081111776.db2.gz IYSLJYYJZVFFKF-INIZCTEOSA-N 1 1 411.300 2.096 20 5 HEBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164713974 720139695 /nfs/dbraw/zinc/13/96/95/720139695.db2.gz UODAZXIKBPWDET-SFHVURJKSA-N 1 1 412.494 2.475 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc(Cl)n1)CCC2 ZINC001164814594 720212009 /nfs/dbraw/zinc/21/20/09/720212009.db2.gz UYRGHFVTJLXYEZ-UHFFFAOYSA-N 1 1 406.874 2.450 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814693 720225819 /nfs/dbraw/zinc/22/58/19/720225819.db2.gz VCWRWNKYEUCLOY-UHFFFAOYSA-N 1 1 400.483 2.414 20 5 HEBDMO CCOc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164814536 720231297 /nfs/dbraw/zinc/23/12/97/720231297.db2.gz XKMWYYCUQYKQAT-UHFFFAOYSA-N 1 1 416.482 2.196 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840221 720551111 /nfs/dbraw/zinc/55/11/11/720551111.db2.gz SGIKNCXKGJTVTQ-OWCLPIDISA-N 1 1 420.901 2.456 20 5 HEBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739878 720757058 /nfs/dbraw/zinc/75/70/58/720757058.db2.gz JFHJFGTZRNBQMC-MSOLQXFVSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1 ZINC001164745588 720822814 /nfs/dbraw/zinc/82/28/14/720822814.db2.gz WYSSSJWZRCWCCZ-UWWQBHOKSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC001164853355 720834949 /nfs/dbraw/zinc/83/49/49/720834949.db2.gz OJGNRXNKVFILHN-DOMZBBRYSA-N 1 1 420.844 2.362 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164779444 721347270 /nfs/dbraw/zinc/34/72/70/721347270.db2.gz TVAAQHWMPCFMPY-FQEVSTJZSA-N 1 1 416.482 2.417 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164779444 721347272 /nfs/dbraw/zinc/34/72/72/721347272.db2.gz TVAAQHWMPCFMPY-FQEVSTJZSA-N 1 1 416.482 2.417 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164778301 721355070 /nfs/dbraw/zinc/35/50/70/721355070.db2.gz MEGWNMIQACQELE-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164778301 721355072 /nfs/dbraw/zinc/35/50/72/721355072.db2.gz MEGWNMIQACQELE-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887337 721383162 /nfs/dbraw/zinc/38/31/62/721383162.db2.gz HRZSSYCXNIRVKL-APWZRJJASA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886235 721383581 /nfs/dbraw/zinc/38/35/81/721383581.db2.gz DRBMNRUWIQHAID-HNAYVOBHSA-N 1 1 409.918 2.409 20 5 HEBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164791295 721465082 /nfs/dbraw/zinc/46/50/82/721465082.db2.gz WPMMGMGSZDHDAU-SFHVURJKSA-N 1 1 419.526 2.306 20 5 HEBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896810 721524596 /nfs/dbraw/zinc/52/45/96/721524596.db2.gz BNIPHSZICCEMBD-RDJZCZTQSA-N 1 1 416.409 2.257 20 5 HEBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904727 721538794 /nfs/dbraw/zinc/53/87/94/721538794.db2.gz GEKHYKAVSSVXNZ-HOCLYGCPSA-N 1 1 416.409 2.257 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904006 721543128 /nfs/dbraw/zinc/54/31/28/721543128.db2.gz FCJSCFCMFFQPNN-GDBMZVCRSA-N 1 1 408.817 2.363 20 5 HEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932296 721885769 /nfs/dbraw/zinc/88/57/69/721885769.db2.gz IHHHXSVUVHDNCT-ROUUACIJSA-N 1 1 400.458 2.406 20 5 HEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932296 721885770 /nfs/dbraw/zinc/88/57/70/721885770.db2.gz IHHHXSVUVHDNCT-ROUUACIJSA-N 1 1 400.458 2.406 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971938 722121304 /nfs/dbraw/zinc/12/13/04/722121304.db2.gz DXEZIAYTRIAZQW-DOTOQJQBSA-N 1 1 419.869 2.004 20 5 HEBDMO CC1(C)CN=C(N2CC[NH+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)S1 ZINC000746459758 1079002762 /nfs/dbraw/zinc/00/27/62/1079002762.db2.gz HDZUSEDHHPFRQV-UHFFFAOYSA-N 1 1 419.507 2.392 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032957 1079104290 /nfs/dbraw/zinc/10/42/90/1079104290.db2.gz AFOOGHNWDXKVNT-FUHWJXTLSA-N 1 1 418.519 2.377 20 5 HEBDMO O=C1[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030348 1079102826 /nfs/dbraw/zinc/10/28/26/1079102826.db2.gz YYKZCGSIMJDKAW-FFGOWVMKSA-N 1 1 405.470 2.320 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc(C[C@@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169111720 1079159037 /nfs/dbraw/zinc/15/90/37/1079159037.db2.gz CVKJKSLOCMHUEL-HXUWFJFHSA-N 1 1 412.402 2.153 20 5 HEBDMO Cn1cc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001169515030 1079319520 /nfs/dbraw/zinc/31/95/20/1079319520.db2.gz DRKCYBZCDUWQQU-QAPCUYQASA-N 1 1 400.435 2.165 20 5 HEBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000771630379 1079415278 /nfs/dbraw/zinc/41/52/78/1079415278.db2.gz LMINRWBUSOBXIZ-AWEZNQCLSA-N 1 1 418.450 2.232 20 5 HEBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000771630379 1079415286 /nfs/dbraw/zinc/41/52/86/1079415286.db2.gz LMINRWBUSOBXIZ-AWEZNQCLSA-N 1 1 418.450 2.232 20 5 HEBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC[N@H+](C3CCCC3)CC2)C1=O ZINC000738271789 1075977994 /nfs/dbraw/zinc/97/79/94/1075977994.db2.gz ZGENAUMLLBUUFW-NRFANRHFSA-N 1 1 415.494 2.270 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741023262 1076340531 /nfs/dbraw/zinc/34/05/31/1076340531.db2.gz UQMNWWZPAPRLAL-MJBXVCDLSA-N 1 1 421.450 2.499 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741023262 1076340538 /nfs/dbraw/zinc/34/05/38/1076340538.db2.gz UQMNWWZPAPRLAL-MJBXVCDLSA-N 1 1 421.450 2.499 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000742275235 1076808094 /nfs/dbraw/zinc/80/80/94/1076808094.db2.gz LGRIDUGLTQPUMY-SNVBAGLBSA-N 1 1 404.286 2.120 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304425 1076813074 /nfs/dbraw/zinc/81/30/74/1076813074.db2.gz HBJAGMAPOHVGRI-GXFFZTMASA-N 1 1 406.302 2.318 20 5 HEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801897 1077598617 /nfs/dbraw/zinc/59/86/17/1077598617.db2.gz QHFQZNCRICCPGE-SNVBAGLBSA-N 1 1 403.220 2.271 20 5 HEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956720 1079520149 /nfs/dbraw/zinc/52/01/49/1079520149.db2.gz VZNITNRZDNLSDB-DNVCBOLYSA-N 1 1 417.466 2.254 20 5 HEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000771815094 1079544894 /nfs/dbraw/zinc/54/48/94/1079544894.db2.gz HMSFTTVIPKMHTC-QGZVFWFLSA-N 1 1 404.511 2.360 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963222 1079559766 /nfs/dbraw/zinc/55/97/66/1079559766.db2.gz ZJXGKTIPNUFMMK-JCKWVBRZSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963222 1079559779 /nfs/dbraw/zinc/55/97/79/1079559779.db2.gz ZJXGKTIPNUFMMK-JCKWVBRZSA-N 1 1 417.466 2.252 20 5 HEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@@H+]1CCOC ZINC000767123883 1079689136 /nfs/dbraw/zinc/68/91/36/1079689136.db2.gz VAPFKDZBTSWQFJ-GOSISDBHSA-N 1 1 420.510 2.004 20 5 HEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@H+]1CCOC ZINC000767123883 1079689144 /nfs/dbraw/zinc/68/91/44/1079689144.db2.gz VAPFKDZBTSWQFJ-GOSISDBHSA-N 1 1 420.510 2.004 20 5 HEBDMO NC(=O)c1ccc(NCCOC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000768798537 1080802802 /nfs/dbraw/zinc/80/28/02/1080802802.db2.gz FNOVMAZWUOMFAH-GOSISDBHSA-N 1 1 412.446 2.313 20 5 HEBDMO NC(=O)c1ccc(NCCOC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000768798537 1080802805 /nfs/dbraw/zinc/80/28/05/1080802805.db2.gz FNOVMAZWUOMFAH-GOSISDBHSA-N 1 1 412.446 2.313 20 5 HEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[N@@H+]1C ZINC000769142012 1080958091 /nfs/dbraw/zinc/95/80/91/1080958091.db2.gz YMMUOQIJUQMTPL-ZJUUUORDSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[N@H+]1C ZINC000769142012 1080958098 /nfs/dbraw/zinc/95/80/98/1080958098.db2.gz YMMUOQIJUQMTPL-ZJUUUORDSA-N 1 1 403.220 2.364 20 5 HEBDMO O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787224388 1081077959 /nfs/dbraw/zinc/07/79/59/1081077959.db2.gz BIVQQFSXJKXUGD-UHFFFAOYSA-N 1 1 405.317 2.132 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451067 1081083544 /nfs/dbraw/zinc/08/35/44/1081083544.db2.gz JDWWGULEHZUVMX-BXUZGUMPSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451072 1081083628 /nfs/dbraw/zinc/08/36/28/1081083628.db2.gz JFPCAQYWIYFGID-AAEUAGOBSA-N 1 1 418.313 2.462 20 5 HEBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164654970 719317528 /nfs/dbraw/zinc/31/75/28/719317528.db2.gz UKNJYRBJFUMXGC-UHFFFAOYSA-N 1 1 416.486 2.053 20 5 HEBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164718595 720124992 /nfs/dbraw/zinc/12/49/92/720124992.db2.gz SYPBVOHGEKRLGH-QGZVFWFLSA-N 1 1 412.494 2.475 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164814464 720141776 /nfs/dbraw/zinc/14/17/76/720141776.db2.gz SXFLPOJQPOPEIN-KKSFZXQISA-N 1 1 418.494 2.351 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001164810288 720211747 /nfs/dbraw/zinc/21/17/47/720211747.db2.gz BERVIMWUXCOLOK-UHFFFAOYSA-N 1 1 406.874 2.450 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724041 720349739 /nfs/dbraw/zinc/34/97/39/720349739.db2.gz IXNPIRJRWWQPJP-CHWSQXEVSA-N 1 1 418.841 2.073 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724041 720349744 /nfs/dbraw/zinc/34/97/44/720349744.db2.gz IXNPIRJRWWQPJP-CHWSQXEVSA-N 1 1 418.841 2.073 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841106 720523953 /nfs/dbraw/zinc/52/39/53/720523953.db2.gz XNMKKEGLVWAFOG-HYVNUMGLSA-N 1 1 415.454 2.472 20 5 HEBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739881 720756388 /nfs/dbraw/zinc/75/63/88/720756388.db2.gz JFHJFGTZRNBQMC-ZWKOTPCHSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740858 720817247 /nfs/dbraw/zinc/81/72/47/720817247.db2.gz LVOCITYVOAHRRO-BHYGNILZSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854180 720852311 /nfs/dbraw/zinc/85/23/11/720852311.db2.gz PUQJYJZGGRWEIM-WCQYABFASA-N 1 1 405.282 2.470 20 5 HEBDMO COc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859315 720961372 /nfs/dbraw/zinc/96/13/72/720961372.db2.gz MQIILEABHSQQEX-LBPRGKRZSA-N 1 1 405.459 2.020 20 5 HEBDMO CC(C)Oc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764069 721213485 /nfs/dbraw/zinc/21/34/85/721213485.db2.gz GCYZUQLJAPOTRJ-IAGOWNOFSA-N 1 1 400.483 2.469 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164893567 721382681 /nfs/dbraw/zinc/38/26/81/721382681.db2.gz VEVLZQFEIDCVHP-DNVCBOLYSA-N 1 1 424.933 2.112 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888868 721402393 /nfs/dbraw/zinc/40/23/93/721402393.db2.gz PACDRZVZQZUBIP-LPHOPBHVSA-N 1 1 409.918 2.409 20 5 HEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164790256 721433877 /nfs/dbraw/zinc/43/38/77/721433877.db2.gz XGSRLISWDAPNOU-STQMWFEESA-N 1 1 403.464 2.191 20 5 HEBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164789893 721458525 /nfs/dbraw/zinc/45/85/25/721458525.db2.gz YFLYTTQSSAGCTO-GOSISDBHSA-N 1 1 419.526 2.427 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908438 721584084 /nfs/dbraw/zinc/58/40/84/721584084.db2.gz ZGERYYGNYOWJAO-GOSISDBHSA-N 1 1 405.405 2.361 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981539 722105188 /nfs/dbraw/zinc/10/51/88/722105188.db2.gz LQELSINJCYRXQQ-JKSUJKDBSA-N 1 1 418.885 2.469 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000770216649 1078791072 /nfs/dbraw/zinc/79/10/72/1078791072.db2.gz QMOQOQPDMQAGMB-UHFFFAOYSA-N 1 1 401.485 2.077 20 5 HEBDMO COc1cc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792080 1078996707 /nfs/dbraw/zinc/99/67/07/1078996707.db2.gz QFPFRUMRRLJTCG-OAQYLSRUSA-N 1 1 417.437 2.452 20 5 HEBDMO O=C1[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030347 1079103006 /nfs/dbraw/zinc/10/30/06/1079103006.db2.gz YYKZCGSIMJDKAW-AFYVEPGGSA-N 1 1 405.470 2.320 20 5 HEBDMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025787 1079113128 /nfs/dbraw/zinc/11/31/28/1079113128.db2.gz UXPCXWLTRHWXCK-OAFZBRQQSA-N 1 1 408.524 2.332 20 5 HEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001169241633 1079208941 /nfs/dbraw/zinc/20/89/41/1079208941.db2.gz WLQVCXXVLULQFU-QGZVFWFLSA-N 1 1 400.391 2.314 20 5 HEBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863602 1076273892 /nfs/dbraw/zinc/27/38/92/1076273892.db2.gz VFHAYEDVHIHAJR-QINHECLXSA-N 1 1 404.467 2.455 20 5 HEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863602 1076273900 /nfs/dbraw/zinc/27/39/00/1076273900.db2.gz VFHAYEDVHIHAJR-QINHECLXSA-N 1 1 404.467 2.455 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305624 1076813265 /nfs/dbraw/zinc/81/32/65/1076813265.db2.gz WZVQKJMLFKPSSB-JQWIXIFHSA-N 1 1 406.302 2.318 20 5 HEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286374 1076816503 /nfs/dbraw/zinc/81/65/03/1076816503.db2.gz OORDOKXYFCAAKK-LLVKDONJSA-N 1 1 406.302 2.368 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394325 1077373977 /nfs/dbraw/zinc/37/39/77/1077373977.db2.gz HRMWLIYYLBPIPZ-OKZBNKHCSA-N 1 1 423.514 2.406 20 5 HEBDMO CNC(=O)C1([NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 ZINC000744403239 1077380956 /nfs/dbraw/zinc/38/09/56/1077380956.db2.gz NGBMXPKLGIVFAQ-UHFFFAOYSA-N 1 1 403.464 2.305 20 5 HEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408424 1077382923 /nfs/dbraw/zinc/38/29/23/1077382923.db2.gz ZWROEGNJOGQRSJ-CYBMUJFWSA-N 1 1 403.395 2.472 20 5 HEBDMO C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745334879 1077805287 /nfs/dbraw/zinc/80/52/87/1077805287.db2.gz YMOJMSXQWPYEGH-LPHOPBHVSA-N 1 1 411.458 2.460 20 5 HEBDMO Cc1cc(N2CCC(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000771768145 1079522458 /nfs/dbraw/zinc/52/24/58/1079522458.db2.gz FSVUHAFKBRMPPB-UHFFFAOYSA-N 1 1 423.470 2.396 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958936 1079523506 /nfs/dbraw/zinc/52/35/06/1079523506.db2.gz QZNDRIURCBWYPM-DNVCBOLYSA-N 1 1 417.466 2.254 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958936 1079523512 /nfs/dbraw/zinc/52/35/12/1079523512.db2.gz QZNDRIURCBWYPM-DNVCBOLYSA-N 1 1 417.466 2.254 20 5 HEBDMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768882780 1080831172 /nfs/dbraw/zinc/83/11/72/1080831172.db2.gz IXHXTRKVGBBMPO-UHFFFAOYSA-N 1 1 405.542 2.415 20 5 HEBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787189189 1081055655 /nfs/dbraw/zinc/05/56/55/1081055655.db2.gz LZFZSZVEVPHOIS-HIFRSBDPSA-N 1 1 402.373 2.276 20 5 HEBDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c2)CC1 ZINC000769507458 1081101127 /nfs/dbraw/zinc/10/11/27/1081101127.db2.gz HHUMASVLXHWMQV-UHFFFAOYSA-N 1 1 418.400 2.442 20 5 HEBDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000769632297 1081149598 /nfs/dbraw/zinc/14/95/98/1081149598.db2.gz SEBKGCOBLABLHM-UCMJJCQDSA-N 1 1 409.487 2.062 20 5 HEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738529 720687906 /nfs/dbraw/zinc/68/79/06/720687906.db2.gz KJSFIVZQHZIYOX-GHMZBOCLSA-N 1 1 411.249 2.429 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1 ZINC001164745587 720822706 /nfs/dbraw/zinc/82/27/06/720822706.db2.gz WYSSSJWZRCWCCZ-QILLFSRXSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@H]2C1 ZINC001164865057 720873224 /nfs/dbraw/zinc/87/32/24/720873224.db2.gz YCWVMJIXUDPLIM-FXAWDEMLSA-N 1 1 413.478 2.225 20 5 HEBDMO COC(=O)c1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164859773 720947257 /nfs/dbraw/zinc/94/72/57/720947257.db2.gz NMCNMRQGBHZXNM-ZDUSSCGKSA-N 1 1 402.455 2.394 20 5 HEBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867643 721079150 /nfs/dbraw/zinc/07/91/50/721079150.db2.gz YZSBUUJNQUSQRT-QZTJIDSGSA-N 1 1 406.446 2.413 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888196 721417275 /nfs/dbraw/zinc/41/72/75/721417275.db2.gz NLWKFCRAHYASRQ-NQIIRXRSSA-N 1 1 403.527 2.372 20 5 HEBDMO Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890907 721418154 /nfs/dbraw/zinc/41/81/54/721418154.db2.gz UIBZRWWTMSXGGI-GHTZIAJQSA-N 1 1 403.527 2.372 20 5 HEBDMO CCOC(=O)c1ccnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164790252 721434034 /nfs/dbraw/zinc/43/40/34/721434034.db2.gz XGSRLISWDAPNOU-CHWSQXEVSA-N 1 1 403.464 2.191 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906394 721533678 /nfs/dbraw/zinc/53/36/78/721533678.db2.gz KRXPSWSEXMSPIN-GOEBONIOSA-N 1 1 403.414 2.183 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164798149 721557209 /nfs/dbraw/zinc/55/72/09/721557209.db2.gz AKCMBKZURSRYLO-JZXOWHBKSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164798149 721557216 /nfs/dbraw/zinc/55/72/16/721557216.db2.gz AKCMBKZURSRYLO-JZXOWHBKSA-N 1 1 419.869 2.145 20 5 HEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965770 722068830 /nfs/dbraw/zinc/06/88/30/722068830.db2.gz MHGPLKMTSUTRJD-BETUJISGSA-N 1 1 410.858 2.119 20 5 HEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965770 722068831 /nfs/dbraw/zinc/06/88/31/722068831.db2.gz MHGPLKMTSUTRJD-BETUJISGSA-N 1 1 410.858 2.119 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983422 722100686 /nfs/dbraw/zinc/10/06/86/722100686.db2.gz QAPUBGXYWPAGGK-GDBMZVCRSA-N 1 1 404.858 2.161 20 5 HEBDMO COc1cc(C)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971421 722113022 /nfs/dbraw/zinc/11/30/22/722113022.db2.gz CKBFMQDRFQBUDM-MJGOQNOKSA-N 1 1 413.478 2.429 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971941 722121355 /nfs/dbraw/zinc/12/13/55/722121355.db2.gz DXEZIAYTRIAZQW-RDJZCZTQSA-N 1 1 419.869 2.004 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000769883585 1078642268 /nfs/dbraw/zinc/64/22/68/1078642268.db2.gz WQFKPPLIWJULMB-QGZVFWFLSA-N 1 1 421.494 2.150 20 5 HEBDMO Cn1cc[nH+]c1N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000745972771 1078714854 /nfs/dbraw/zinc/71/48/54/1078714854.db2.gz DXEVOSGGXRYHGE-UHFFFAOYSA-N 1 1 413.219 2.260 20 5 HEBDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000770558731 1078880800 /nfs/dbraw/zinc/88/08/00/1078880800.db2.gz CRRXGKDWDMQGRI-UHFFFAOYSA-N 1 1 403.508 2.479 20 5 HEBDMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169029724 1079102948 /nfs/dbraw/zinc/10/29/48/1079102948.db2.gz VPFIMBOGSZOVQP-AFYVEPGGSA-N 1 1 407.536 2.109 20 5 HEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043587 1079109738 /nfs/dbraw/zinc/10/97/38/1079109738.db2.gz HELFPVBUBJGPSF-UAGQMJEPSA-N 1 1 421.494 2.352 20 5 HEBDMO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021494 1079111653 /nfs/dbraw/zinc/11/16/53/1079111653.db2.gz OIBNFFXHHJUIOO-LMCLKVLCSA-N 1 1 407.536 2.332 20 5 HEBDMO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048718 1079115580 /nfs/dbraw/zinc/11/55/80/1079115580.db2.gz AWDHBWUHSRRASI-QOIOWGMHSA-N 1 1 411.499 2.306 20 5 HEBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149877 1079166825 /nfs/dbraw/zinc/16/68/25/1079166825.db2.gz PCRDJVCSXUADIM-KRWDZBQOSA-N 1 1 406.446 2.488 20 5 HEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400794 1079323723 /nfs/dbraw/zinc/32/37/23/1079323723.db2.gz ZRXPMEFVKUVHJN-VHSXEESVSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400794 1079323727 /nfs/dbraw/zinc/32/37/27/1079323727.db2.gz ZRXPMEFVKUVHJN-VHSXEESVSA-N 1 1 403.220 2.364 20 5 HEBDMO Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc([N+](=O)[O-])c1F ZINC000771736227 1079471719 /nfs/dbraw/zinc/47/17/19/1079471719.db2.gz VRJLPZHPEXZQTQ-UHFFFAOYSA-N 1 1 408.455 2.380 20 5 HEBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107793 1076744255 /nfs/dbraw/zinc/74/42/55/1076744255.db2.gz UKFRVGKEKXCDQZ-QGZVFWFLSA-N 1 1 402.495 2.379 20 5 HEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000742275247 1076808261 /nfs/dbraw/zinc/80/82/61/1076808261.db2.gz LOXKQSVSDCATSV-SNVBAGLBSA-N 1 1 404.286 2.120 20 5 HEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742294992 1076820068 /nfs/dbraw/zinc/82/00/68/1076820068.db2.gz NWDGUIVZWJRICM-LBPRGKRZSA-N 1 1 404.286 2.215 20 5 HEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742294992 1076820069 /nfs/dbraw/zinc/82/00/69/1076820069.db2.gz NWDGUIVZWJRICM-LBPRGKRZSA-N 1 1 404.286 2.215 20 5 HEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594685 1077077793 /nfs/dbraw/zinc/07/77/93/1077077793.db2.gz VYPPTQWLTYGDLD-VQIMIIECSA-N 1 1 404.467 2.011 20 5 HEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000744399281 1077373414 /nfs/dbraw/zinc/37/34/14/1077373414.db2.gz IGJBPAHJLWHBIS-QFIPXVFZSA-N 1 1 412.490 2.458 20 5 HEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000744399281 1077373418 /nfs/dbraw/zinc/37/34/18/1077373418.db2.gz IGJBPAHJLWHBIS-QFIPXVFZSA-N 1 1 412.490 2.458 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nc1 ZINC000744403416 1077381603 /nfs/dbraw/zinc/38/16/03/1077381603.db2.gz OBJAOIJHNLGWSM-CQSZACIVSA-N 1 1 401.379 2.451 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nc1 ZINC000744403416 1077381609 /nfs/dbraw/zinc/38/16/09/1077381609.db2.gz OBJAOIJHNLGWSM-CQSZACIVSA-N 1 1 401.379 2.451 20 5 HEBDMO CCOc1cc(NC2CC[NH+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)CC2)ncn1 ZINC000767521895 1079917382 /nfs/dbraw/zinc/91/73/82/1079917382.db2.gz CRSRSKGUWVAIQA-UHFFFAOYSA-N 1 1 412.454 2.371 20 5 HEBDMO CCOc1cc(COC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645504 1080093766 /nfs/dbraw/zinc/09/37/66/1080093766.db2.gz RNPTYQNVYPPEMV-IRXDYDNUSA-N 1 1 419.478 2.370 20 5 HEBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698942 719878576 /nfs/dbraw/zinc/87/85/76/719878576.db2.gz GHWMMLWFSGACQS-UTKZUKDTSA-N 1 1 414.462 2.376 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001164811448 720216754 /nfs/dbraw/zinc/21/67/54/720216754.db2.gz IAZWFDVQLXXBFR-UHFFFAOYSA-N 1 1 423.477 2.345 20 5 HEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745831 720781373 /nfs/dbraw/zinc/78/13/73/720781373.db2.gz VZCSTHNCECDEHT-CVEARBPZSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745465 720811058 /nfs/dbraw/zinc/81/10/58/720811058.db2.gz KLASPUIMARHDRG-SOUVJXGZSA-N 1 1 418.889 2.009 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164850952 720845803 /nfs/dbraw/zinc/84/58/03/720845803.db2.gz FVIGPFRGBIIBKX-SUMWQHHRSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164855529 720845867 /nfs/dbraw/zinc/84/58/67/720845867.db2.gz UJTSYYUROOXAKO-UGSOOPFHSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164850951 720845935 /nfs/dbraw/zinc/84/59/35/720845935.db2.gz FVIGPFRGBIIBKX-GUYCJALGSA-N 1 1 421.885 2.365 20 5 HEBDMO COc1cc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767233 721138818 /nfs/dbraw/zinc/13/88/18/721138818.db2.gz LYUWKNAHIBNLPB-HZPDHXFCSA-N 1 1 423.477 2.238 20 5 HEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873582 721177314 /nfs/dbraw/zinc/17/73/14/721177314.db2.gz IRZTWLSRZHRXMW-IRXDYDNUSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C/c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769488 721192919 /nfs/dbraw/zinc/19/29/19/721192919.db2.gz MNZVUAZLENQURM-DPCDFWGDSA-N 1 1 411.510 2.214 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164893568 721382484 /nfs/dbraw/zinc/38/24/84/721382484.db2.gz VEVLZQFEIDCVHP-HNAYVOBHSA-N 1 1 424.933 2.112 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888874 721401924 /nfs/dbraw/zinc/40/19/24/721401924.db2.gz PACDRZVZQZUBIP-VQIMIIECSA-N 1 1 409.918 2.409 20 5 HEBDMO Cc1cc([N+](=O)[O-])c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1Cl ZINC001164996098 722231880 /nfs/dbraw/zinc/23/18/80/722231880.db2.gz FFGZVVHPXLRMJB-UHFFFAOYSA-N 1 1 417.901 2.099 20 5 HEBDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc(OC)c1 ZINC000769714837 1078533354 /nfs/dbraw/zinc/53/33/54/1078533354.db2.gz VUQRLUUFLLUVJH-CQSZACIVSA-N 1 1 400.435 2.199 20 5 HEBDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc(OC)c1 ZINC000769714837 1078533369 /nfs/dbraw/zinc/53/33/69/1078533369.db2.gz VUQRLUUFLLUVJH-CQSZACIVSA-N 1 1 400.435 2.199 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000769895004 1078616636 /nfs/dbraw/zinc/61/66/36/1078616636.db2.gz IPPFHHQZVFVPNL-AWEZNQCLSA-N 1 1 417.915 2.432 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000769895004 1078616637 /nfs/dbraw/zinc/61/66/37/1078616637.db2.gz IPPFHHQZVFVPNL-AWEZNQCLSA-N 1 1 417.915 2.432 20 5 HEBDMO Cc1cccc(CN2CCO[C@H]3C[N@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027444 1079102336 /nfs/dbraw/zinc/10/23/36/1079102336.db2.gz PRVUUCNXVILYDF-BURNTYAHSA-N 1 1 401.507 2.490 20 5 HEBDMO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019265 1079111131 /nfs/dbraw/zinc/11/11/31/1079111131.db2.gz HCFUUUVKUNSSBL-NVXWUHKLSA-N 1 1 402.495 2.314 20 5 HEBDMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000766853343 1079440238 /nfs/dbraw/zinc/44/02/38/1079440238.db2.gz IZMQVJUBRAIEKP-UHFFFAOYSA-N 1 1 417.503 2.493 20 5 HEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737985023 1075945590 /nfs/dbraw/zinc/94/55/90/1075945590.db2.gz QSAIJSKVVPNJEG-UHFFFAOYSA-N 1 1 422.489 2.225 20 5 HEBDMO CC(C)[N@@H+](C)CC1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738091034 1075960085 /nfs/dbraw/zinc/96/00/85/1075960085.db2.gz SECDAQXLNCMYHD-NRFANRHFSA-N 1 1 417.510 2.372 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000766249932 1076147084 /nfs/dbraw/zinc/14/70/84/1076147084.db2.gz RAEBYDCWGNJESR-UHFFFAOYSA-N 1 1 408.418 2.356 20 5 HEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+]1CCCC1 ZINC000741013058 1076329017 /nfs/dbraw/zinc/32/90/17/1076329017.db2.gz BXWRNPJFWJPJKH-LJQANCHMSA-N 1 1 421.450 2.358 20 5 HEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000742345942 1076831911 /nfs/dbraw/zinc/83/19/11/1076831911.db2.gz BQOVDGWURSNZIB-NSHDSACASA-N 1 1 406.302 2.320 20 5 HEBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956365 1079520908 /nfs/dbraw/zinc/52/09/08/1079520908.db2.gz IDGPQMLUIZEZBO-QAPCUYQASA-N 1 1 415.450 2.214 20 5 HEBDMO COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000767299382 1079800177 /nfs/dbraw/zinc/80/01/77/1079800177.db2.gz PRPCSHWIWXBLQY-RUDMXATFSA-N 1 1 412.446 2.377 20 5 HEBDMO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000785855701 1080283959 /nfs/dbraw/zinc/28/39/59/1080283959.db2.gz NFNYPPLXHKZTLC-MRXNPFEDSA-N 1 1 400.395 2.142 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164683285 719706952 /nfs/dbraw/zinc/70/69/52/719706952.db2.gz JJFYSEAIQLFSJS-UHFFFAOYSA-N 1 1 417.844 2.369 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164684354 719710987 /nfs/dbraw/zinc/71/09/87/719710987.db2.gz PFVCSVLGCHMHFC-UHFFFAOYSA-N 1 1 418.885 2.372 20 5 HEBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc5cccnc5c4n3)C2)C1 ZINC001164719280 720229155 /nfs/dbraw/zinc/22/91/55/720229155.db2.gz QCQSHPZDTCHHEJ-DEOSSOPVSA-N 1 1 419.529 2.448 20 5 HEBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc5cccnc5c4n3)C2)C1 ZINC001164719280 720229166 /nfs/dbraw/zinc/22/91/66/720229166.db2.gz QCQSHPZDTCHHEJ-DEOSSOPVSA-N 1 1 419.529 2.448 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740058 720661293 /nfs/dbraw/zinc/66/12/93/720661293.db2.gz PLFNSCWXJBVNDM-GHMZBOCLSA-N 1 1 411.249 2.429 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164855527 720845784 /nfs/dbraw/zinc/84/57/84/720845784.db2.gz UJTSYYUROOXAKO-FZKQIMNGSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854178 720852000 /nfs/dbraw/zinc/85/20/00/720852000.db2.gz PUQJYJZGGRWEIM-DGCLKSJQSA-N 1 1 405.282 2.470 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]2C1 ZINC001164861696 720881548 /nfs/dbraw/zinc/88/15/48/720881548.db2.gz QASFFFHHKOCDCQ-OXQOHEQNSA-N 1 1 413.478 2.225 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164863020 720890703 /nfs/dbraw/zinc/89/07/03/720890703.db2.gz SJBJNVBFFSDPLF-CXAGYDPISA-N 1 1 421.885 2.365 20 5 HEBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764798 721145996 /nfs/dbraw/zinc/14/59/96/721145996.db2.gz IAEYZBOGYCWDRS-OLZOCXBDSA-N 1 1 423.930 2.452 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164778298 721355251 /nfs/dbraw/zinc/35/52/51/721355251.db2.gz MEGWNMIQACQELE-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164778298 721355257 /nfs/dbraw/zinc/35/52/57/721355257.db2.gz MEGWNMIQACQELE-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887346 721383463 /nfs/dbraw/zinc/38/34/63/721383463.db2.gz HRZSSYCXNIRVKL-VQIMIIECSA-N 1 1 409.918 2.409 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900316 721515300 /nfs/dbraw/zinc/51/53/00/721515300.db2.gz QBUZATZXJRHPRR-WBVHZDCISA-N 1 1 416.409 2.257 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900550 721523695 /nfs/dbraw/zinc/52/36/95/721523695.db2.gz SDZAIYDUYAOOAC-ZBFHGGJFSA-N 1 1 403.370 2.379 20 5 HEBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770001755 1078680642 /nfs/dbraw/zinc/68/06/42/1078680642.db2.gz IAOPMHKXVMMMPU-UHFFFAOYSA-N 1 1 419.873 2.372 20 5 HEBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000746155513 1078808376 /nfs/dbraw/zinc/80/83/76/1078808376.db2.gz KTRYDJDMJCFJBM-OAHLLOKOSA-N 1 1 412.454 2.033 20 5 HEBDMO CCC[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC[N@H+]1CCOC ZINC000766373027 1078938223 /nfs/dbraw/zinc/93/82/23/1078938223.db2.gz DUXSZNRHCYGBIO-QGZVFWFLSA-N 1 1 405.499 2.227 20 5 HEBDMO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010497 1079098500 /nfs/dbraw/zinc/09/85/00/1079098500.db2.gz CUIDPZFDNGZDMQ-NNXHMXCWSA-N 1 1 411.499 2.305 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032956 1079104321 /nfs/dbraw/zinc/10/43/21/1079104321.db2.gz AFOOGHNWDXKVNT-AEFFLSMTSA-N 1 1 418.519 2.377 20 5 HEBDMO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021156 1079111622 /nfs/dbraw/zinc/11/16/22/1079111622.db2.gz JWIHKURQNABBQT-DZGCQCFKSA-N 1 1 401.492 2.058 20 5 HEBDMO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021159 1079111642 /nfs/dbraw/zinc/11/16/42/1079111642.db2.gz JWIHKURQNABBQT-HIFRSBDPSA-N 1 1 401.492 2.058 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022862 1079112129 /nfs/dbraw/zinc/11/21/29/1079112129.db2.gz NDAPDYKYJIEJMX-PNKHAZJDSA-N 1 1 417.539 2.149 20 5 HEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000771503596 1079364317 /nfs/dbraw/zinc/36/43/17/1079364317.db2.gz NXTNWMDUVSIKMA-MBNYWOFBSA-N 1 1 405.480 2.313 20 5 HEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000771503596 1079364320 /nfs/dbraw/zinc/36/43/20/1079364320.db2.gz NXTNWMDUVSIKMA-MBNYWOFBSA-N 1 1 405.480 2.313 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766817909 1079396830 /nfs/dbraw/zinc/39/68/30/1079396830.db2.gz UWLYDZUUSQKBLW-UHFFFAOYSA-N 1 1 401.448 2.146 20 5 HEBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738334089 1075983500 /nfs/dbraw/zinc/98/35/00/1075983500.db2.gz CNXBIICDVLKZBA-UHFFFAOYSA-N 1 1 415.538 2.194 20 5 HEBDMO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)(N2CCCCC2)CC1 ZINC000742012490 1076707567 /nfs/dbraw/zinc/70/75/67/1076707567.db2.gz XSYQAJDIQUINCL-UHFFFAOYSA-N 1 1 405.455 2.183 20 5 HEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744410740 1077383600 /nfs/dbraw/zinc/38/36/00/1077383600.db2.gz BDVLUTCYAAKNRP-SFHVURJKSA-N 1 1 403.527 2.050 20 5 HEBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC(C)(C)C1 ZINC000767442366 1079850366 /nfs/dbraw/zinc/85/03/66/1079850366.db2.gz RXDJNHJUCYANOK-UHFFFAOYSA-N 1 1 400.501 2.311 20 5 HEBDMO CCOc1cc(COC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645502 1080093963 /nfs/dbraw/zinc/09/39/63/1080093963.db2.gz RNPTYQNVYPPEMV-IAGOWNOFSA-N 1 1 419.478 2.370 20 5 HEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651947 1080106386 /nfs/dbraw/zinc/10/63/86/1080106386.db2.gz WKOQVQZCHADKQA-DZGCQCFKSA-N 1 1 423.441 2.119 20 5 HEBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000767847614 1080165552 /nfs/dbraw/zinc/16/55/52/1080165552.db2.gz ORDCVUNEZJLEET-UHFFFAOYSA-N 1 1 414.487 2.426 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785857338 1080284027 /nfs/dbraw/zinc/28/40/27/1080284027.db2.gz HLEDVMXUXXKFSI-GFCCVEGCSA-N 1 1 418.410 2.372 20 5 HEBDMO COC(=O)CCn1nc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000768152738 1080372292 /nfs/dbraw/zinc/37/22/92/1080372292.db2.gz WKCZZAIKGUXHMB-UHFFFAOYSA-N 1 1 401.467 2.293 20 5 HEBDMO O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883429 1080885688 /nfs/dbraw/zinc/88/56/88/1080885688.db2.gz ZWJWSRHSTZEIJP-AWEZNQCLSA-N 1 1 405.407 2.212 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700464 719851350 /nfs/dbraw/zinc/85/13/50/719851350.db2.gz HKWJWWFETZITEW-YCRPNKLZSA-N 1 1 414.462 2.376 20 5 HEBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-] ZINC001164820079 720191282 /nfs/dbraw/zinc/19/12/82/720191282.db2.gz ZJWOVKQTGQUWEK-KKSFZXQISA-N 1 1 418.494 2.351 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724045 720350102 /nfs/dbraw/zinc/35/01/02/720350102.db2.gz IXNPIRJRWWQPJP-QWHCGFSZSA-N 1 1 418.841 2.073 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724045 720350109 /nfs/dbraw/zinc/35/01/09/720350109.db2.gz IXNPIRJRWWQPJP-QWHCGFSZSA-N 1 1 418.841 2.073 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1 ZINC001164853361 720834754 /nfs/dbraw/zinc/83/47/54/720834754.db2.gz OJGNRXNKVFILHN-WFASDCNBSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854269 720845071 /nfs/dbraw/zinc/84/50/71/720845071.db2.gz QQYDAMCFQIYUDR-SMDDNHRTSA-N 1 1 405.282 2.470 20 5 HEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865760 721080350 /nfs/dbraw/zinc/08/03/50/721080350.db2.gz PHARZTXLMPHNGJ-ROUUACIJSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C/c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769495 721193165 /nfs/dbraw/zinc/19/31/65/721193165.db2.gz MNZVUAZLENQURM-RMSIBTEPSA-N 1 1 411.510 2.214 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889827 721392868 /nfs/dbraw/zinc/39/28/68/721392868.db2.gz MNMVTBVZEWURNW-KXBFYZLASA-N 1 1 424.933 2.112 20 5 HEBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164782828 721461801 /nfs/dbraw/zinc/46/18/01/721461801.db2.gz CSVJELONEDSVMX-KRWDZBQOSA-N 1 1 419.526 2.306 20 5 HEBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164785683 721462073 /nfs/dbraw/zinc/46/20/73/721462073.db2.gz MPGBIQNJAPAKNT-KRWDZBQOSA-N 1 1 419.526 2.306 20 5 HEBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896805 721524134 /nfs/dbraw/zinc/52/41/34/721524134.db2.gz BNIPHSZICCEMBD-NVXWUHKLSA-N 1 1 416.409 2.257 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164995077 722213931 /nfs/dbraw/zinc/21/39/31/722213931.db2.gz GCFFGHLXEUTTCN-NRFANRHFSA-N 1 1 412.469 2.456 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)CC1 ZINC001164997251 722232657 /nfs/dbraw/zinc/23/26/57/722232657.db2.gz ORZDKJSLAVESHP-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134444 1078802130 /nfs/dbraw/zinc/80/21/30/1078802130.db2.gz OOOACOXNCCUXPW-PKOBYXMFSA-N 1 1 419.478 2.244 20 5 HEBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134444 1078802131 /nfs/dbraw/zinc/80/21/31/1078802131.db2.gz OOOACOXNCCUXPW-PKOBYXMFSA-N 1 1 419.478 2.244 20 5 HEBDMO COCC[N@@H+](C)CCCC1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000766375203 1078942681 /nfs/dbraw/zinc/94/26/81/1078942681.db2.gz SFJBCJMZBHBXAE-UHFFFAOYSA-N 1 1 418.494 2.219 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746481997 1079039032 /nfs/dbraw/zinc/03/90/32/1079039032.db2.gz UHBZGVGFICIZOW-KRWDZBQOSA-N 1 1 423.514 2.408 20 5 HEBDMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000766590212 1079127016 /nfs/dbraw/zinc/12/70/16/1079127016.db2.gz ITVGFJLNELHULQ-AWEZNQCLSA-N 1 1 412.874 2.146 20 5 HEBDMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000766590212 1079127025 /nfs/dbraw/zinc/12/70/25/1079127025.db2.gz ITVGFJLNELHULQ-AWEZNQCLSA-N 1 1 412.874 2.146 20 5 HEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000771503598 1079364524 /nfs/dbraw/zinc/36/45/24/1079364524.db2.gz NXTNWMDUVSIKMA-YRGRVCCFSA-N 1 1 405.480 2.313 20 5 HEBDMO CC(C)[N@@H+](C)CC1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738089414 1075959957 /nfs/dbraw/zinc/95/99/57/1075959957.db2.gz IUMFRBXUUCLMJS-UHFFFAOYSA-N 1 1 403.483 2.373 20 5 HEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000740550829 1076190795 /nfs/dbraw/zinc/19/07/95/1076190795.db2.gz YMSVWQTZSZZVKU-UHFFFAOYSA-N 1 1 403.435 2.368 20 5 HEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742294991 1076820087 /nfs/dbraw/zinc/82/00/87/1076820087.db2.gz NWDGUIVZWJRICM-GFCCVEGCSA-N 1 1 404.286 2.215 20 5 HEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742294991 1076820089 /nfs/dbraw/zinc/82/00/89/1076820089.db2.gz NWDGUIVZWJRICM-GFCCVEGCSA-N 1 1 404.286 2.215 20 5 HEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000742345940 1076831879 /nfs/dbraw/zinc/83/18/79/1076831879.db2.gz BQOVDGWURSNZIB-LLVKDONJSA-N 1 1 406.302 2.320 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952063 1079518222 /nfs/dbraw/zinc/51/82/22/1079518222.db2.gz SISYTIVOITUBHO-ZBQZNYHESA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952063 1079518232 /nfs/dbraw/zinc/51/82/32/1079518232.db2.gz SISYTIVOITUBHO-ZBQZNYHESA-N 1 1 417.466 2.252 20 5 HEBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956353 1079520799 /nfs/dbraw/zinc/52/07/99/1079520799.db2.gz IDGPQMLUIZEZBO-CRAIPNDOSA-N 1 1 415.450 2.214 20 5 HEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590612 1080259122 /nfs/dbraw/zinc/25/91/22/1080259122.db2.gz NEXNJDARSOMSGU-GFCCVEGCSA-N 1 1 403.220 2.269 20 5 HEBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768538677 1080617677 /nfs/dbraw/zinc/61/76/77/1080617677.db2.gz CPIXOAJBTGIOCP-QGZVFWFLSA-N 1 1 411.503 2.264 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451068 1081083680 /nfs/dbraw/zinc/08/36/80/1081083680.db2.gz JDWWGULEHZUVMX-FZMZJTMJSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451076 1081083691 /nfs/dbraw/zinc/08/36/91/1081083691.db2.gz JFPCAQYWIYFGID-WCQYABFASA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451597 1081084535 /nfs/dbraw/zinc/08/45/35/1081084535.db2.gz KKEIVDCCAFPVOJ-RISCZKNCSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451620 1081084703 /nfs/dbraw/zinc/08/47/03/1081084703.db2.gz LXHLGRCTDSBFBW-FZMZJTMJSA-N 1 1 418.313 2.462 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708524 719865013 /nfs/dbraw/zinc/86/50/13/719865013.db2.gz ZRRMQNCLTLIJBV-LAUBAEHRSA-N 1 1 414.462 2.376 20 5 HEBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164718025 720124961 /nfs/dbraw/zinc/12/49/61/720124961.db2.gz QMCRYKYNFJAJCT-QGZVFWFLSA-N 1 1 412.494 2.475 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724048 720350128 /nfs/dbraw/zinc/35/01/28/720350128.db2.gz IXNPIRJRWWQPJP-STQMWFEESA-N 1 1 418.841 2.073 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724048 720350133 /nfs/dbraw/zinc/35/01/33/720350133.db2.gz IXNPIRJRWWQPJP-STQMWFEESA-N 1 1 418.841 2.073 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867757 721060949 /nfs/dbraw/zinc/06/09/49/721060949.db2.gz KCXFMFASWXKDEN-LSDHHAIUSA-N 1 1 404.858 2.221 20 5 HEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865758 721080432 /nfs/dbraw/zinc/08/04/32/721080432.db2.gz PHARZTXLMPHNGJ-MSOLQXFVSA-N 1 1 406.446 2.413 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888871 721402426 /nfs/dbraw/zinc/40/24/26/721402426.db2.gz PACDRZVZQZUBIP-QFBILLFUSA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883647 721420347 /nfs/dbraw/zinc/42/03/47/721420347.db2.gz BPTJPHFHKHFNSI-IIBYNOLFSA-N 1 1 414.510 2.237 20 5 HEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000745773143 1078637127 /nfs/dbraw/zinc/63/71/27/1078637127.db2.gz JPMXWEHMKNGBTQ-GOSISDBHSA-N 1 1 416.409 2.201 20 5 HEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000745773143 1078637131 /nfs/dbraw/zinc/63/71/31/1078637131.db2.gz JPMXWEHMKNGBTQ-GOSISDBHSA-N 1 1 416.409 2.201 20 5 HEBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000746155512 1078808450 /nfs/dbraw/zinc/80/84/50/1078808450.db2.gz KTRYDJDMJCFJBM-HNNXBMFYSA-N 1 1 412.454 2.033 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746482001 1079038990 /nfs/dbraw/zinc/03/89/90/1079038990.db2.gz UHBZGVGFICIZOW-QGZVFWFLSA-N 1 1 423.514 2.408 20 5 HEBDMO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014400 1079099784 /nfs/dbraw/zinc/09/97/84/1079099784.db2.gz ZDKBRYLISBNFJL-MBOZVWFJSA-N 1 1 413.515 2.160 20 5 HEBDMO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024135 1079112553 /nfs/dbraw/zinc/11/25/53/1079112553.db2.gz QDHCBNHVDDMJRX-RHSMWYFYSA-N 1 1 402.495 2.313 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025286 1079113191 /nfs/dbraw/zinc/11/31/91/1079113191.db2.gz YKQIXNYDNGSVQA-MXEMCNAFSA-N 1 1 421.563 2.401 20 5 HEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC001169080574 1079133212 /nfs/dbraw/zinc/13/32/12/1079133212.db2.gz VLTNRUBLDQPMGS-UHFFFAOYSA-N 1 1 410.471 2.051 20 5 HEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537844 1079325415 /nfs/dbraw/zinc/32/54/15/1079325415.db2.gz BROMWJBXIYUKLZ-BEFAXECRSA-N 1 1 421.461 2.211 20 5 HEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000771503594 1079364291 /nfs/dbraw/zinc/36/42/91/1079364291.db2.gz NXTNWMDUVSIKMA-BZPMIXESSA-N 1 1 405.480 2.313 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000766817780 1079396995 /nfs/dbraw/zinc/39/69/95/1079396995.db2.gz TXWZDYGQGZWBDA-UHFFFAOYSA-N 1 1 401.448 2.146 20 5 HEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000740550710 1076191531 /nfs/dbraw/zinc/19/15/31/1076191531.db2.gz TWFYYAAUSCBVRX-UHFFFAOYSA-N 1 1 416.434 2.212 20 5 HEBDMO C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741016499 1076337016 /nfs/dbraw/zinc/33/70/16/1076337016.db2.gz IFTNPNKUSGOBLQ-IXDOHACOSA-N 1 1 418.494 2.048 20 5 HEBDMO C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741016499 1076337024 /nfs/dbraw/zinc/33/70/24/1076337024.db2.gz IFTNPNKUSGOBLQ-IXDOHACOSA-N 1 1 418.494 2.048 20 5 HEBDMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741173609 1076394440 /nfs/dbraw/zinc/39/44/40/1076394440.db2.gz RBAIFAJIIDUXGT-NRFANRHFSA-N 1 1 410.474 2.144 20 5 HEBDMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741173609 1076394442 /nfs/dbraw/zinc/39/44/42/1076394442.db2.gz RBAIFAJIIDUXGT-NRFANRHFSA-N 1 1 410.474 2.144 20 5 HEBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCC3(CCOCC3)C2)C1=O ZINC000742159418 1076771701 /nfs/dbraw/zinc/77/17/01/1076771701.db2.gz QNJJMJWYVLEIAZ-LJQANCHMSA-N 1 1 402.451 2.212 20 5 HEBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCCC3(CCOCC3)C2)C1=O ZINC000742159418 1076771707 /nfs/dbraw/zinc/77/17/07/1076771707.db2.gz QNJJMJWYVLEIAZ-LJQANCHMSA-N 1 1 402.451 2.212 20 5 HEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742304110 1076812561 /nfs/dbraw/zinc/81/25/61/1076812561.db2.gz PCRHQTJEMYNVGR-GHMZBOCLSA-N 1 1 406.302 2.461 20 5 HEBDMO C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745334878 1077805254 /nfs/dbraw/zinc/80/52/54/1077805254.db2.gz YMOJMSXQWPYEGH-APWZRJJASA-N 1 1 411.458 2.460 20 5 HEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956723 1079520076 /nfs/dbraw/zinc/52/00/76/1079520076.db2.gz VZNITNRZDNLSDB-HNAYVOBHSA-N 1 1 417.466 2.254 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766949275 1079541839 /nfs/dbraw/zinc/54/18/39/1079541839.db2.gz HKAGOUPZRQQFAX-MAUKXSAKSA-N 1 1 417.466 2.254 20 5 HEBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000768235023 1080435175 /nfs/dbraw/zinc/43/51/75/1080435175.db2.gz VUBPXNCBJOJBEB-AWEZNQCLSA-N 1 1 412.284 2.428 20 5 HEBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000768235023 1080435192 /nfs/dbraw/zinc/43/51/92/1080435192.db2.gz VUBPXNCBJOJBEB-AWEZNQCLSA-N 1 1 412.284 2.428 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451596 1081085101 /nfs/dbraw/zinc/08/51/01/1081085101.db2.gz KKEIVDCCAFPVOJ-FZMZJTMJSA-N 1 1 418.313 2.462 20 5 HEBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700453 719851273 /nfs/dbraw/zinc/85/12/73/719851273.db2.gz HKWJWWFETZITEW-BTYIYWSLSA-N 1 1 414.462 2.376 20 5 HEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738534 720688493 /nfs/dbraw/zinc/68/84/93/720688493.db2.gz KJSFIVZQHZIYOX-WDEREUQCSA-N 1 1 411.249 2.429 20 5 HEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745832 720782035 /nfs/dbraw/zinc/78/20/35/720782035.db2.gz VZCSTHNCECDEHT-HOTGVXAUSA-N 1 1 419.445 2.184 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1 ZINC001164853359 720834736 /nfs/dbraw/zinc/83/47/36/720834736.db2.gz OJGNRXNKVFILHN-SWLSCSKDSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1 ZINC001164852550 720843816 /nfs/dbraw/zinc/84/38/16/720843816.db2.gz KUDUTIXRUFQTGK-GXTWGEPZSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854266 720844892 /nfs/dbraw/zinc/84/48/92/720844892.db2.gz QQYDAMCFQIYUDR-BXUZGUMPSA-N 1 1 405.282 2.470 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1 ZINC001164851494 720847519 /nfs/dbraw/zinc/84/75/19/720847519.db2.gz HUVOZFUJKDATCC-IUODEOHRSA-N 1 1 420.844 2.362 20 5 HEBDMO COc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859313 720960169 /nfs/dbraw/zinc/96/01/69/720960169.db2.gz MQIILEABHSQQEX-GFCCVEGCSA-N 1 1 405.459 2.020 20 5 HEBDMO COc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767235 721138047 /nfs/dbraw/zinc/13/80/47/721138047.db2.gz LYUWKNAHIBNLPB-JKSUJKDBSA-N 1 1 423.477 2.238 20 5 HEBDMO COc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767229 721138644 /nfs/dbraw/zinc/13/86/44/721138644.db2.gz LYUWKNAHIBNLPB-CVEARBPZSA-N 1 1 423.477 2.238 20 5 HEBDMO CSc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764801 721146862 /nfs/dbraw/zinc/14/68/62/721146862.db2.gz IAEYZBOGYCWDRS-QWHCGFSZSA-N 1 1 423.930 2.452 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886233 721383344 /nfs/dbraw/zinc/38/33/44/721383344.db2.gz DRBMNRUWIQHAID-DNVCBOLYSA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888501 721391243 /nfs/dbraw/zinc/39/12/43/721391243.db2.gz JOJBNFHFHKBQFS-DNVCBOLYSA-N 1 1 409.918 2.409 20 5 HEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164790249 721434122 /nfs/dbraw/zinc/43/41/22/721434122.db2.gz XGSRLISWDAPNOU-BETUJISGSA-N 1 1 403.464 2.191 20 5 HEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164790249 721434125 /nfs/dbraw/zinc/43/41/25/721434125.db2.gz XGSRLISWDAPNOU-BETUJISGSA-N 1 1 403.464 2.191 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979185 722128743 /nfs/dbraw/zinc/12/87/43/722128743.db2.gz PMKVSZGOMQOWRM-RDJZCZTQSA-N 1 1 419.869 2.004 20 5 HEBDMO CCCn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n(CCC)c1=O ZINC001170011208 1078605700 /nfs/dbraw/zinc/60/57/00/1078605700.db2.gz FBAYTLPYJDYGRF-UHFFFAOYSA-N 1 1 401.467 2.470 20 5 HEBDMO CCCn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n(CCC)c1=O ZINC001170011208 1078605707 /nfs/dbraw/zinc/60/57/07/1078605707.db2.gz FBAYTLPYJDYGRF-UHFFFAOYSA-N 1 1 401.467 2.470 20 5 HEBDMO CCC[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC[N@H+]1CCOC ZINC000766373021 1078938818 /nfs/dbraw/zinc/93/88/18/1078938818.db2.gz DUXSZNRHCYGBIO-KRWDZBQOSA-N 1 1 405.499 2.227 20 5 HEBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)c1 ZINC000766493170 1079031314 /nfs/dbraw/zinc/03/13/14/1079031314.db2.gz FRRSGPVZLNXQHG-UHFFFAOYSA-N 1 1 411.462 2.097 20 5 HEBDMO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018056 1079110790 /nfs/dbraw/zinc/11/07/90/1079110790.db2.gz BIXJYPKVNBEPLK-HGHGUNKESA-N 1 1 415.494 2.096 20 5 HEBDMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023957 1079112609 /nfs/dbraw/zinc/11/26/09/1079112609.db2.gz WDBXPAOGLKYARM-WRWLIDTKSA-N 1 1 404.442 2.108 20 5 HEBDMO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048717 1079115482 /nfs/dbraw/zinc/11/54/82/1079115482.db2.gz AWDHBWUHSRRASI-NLDJYOPPSA-N 1 1 411.499 2.306 20 5 HEBDMO Cc1nn(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000771619805 1079403436 /nfs/dbraw/zinc/40/34/36/1079403436.db2.gz KZLVVBVNEPSUEB-UHFFFAOYSA-N 1 1 410.434 2.248 20 5 HEBDMO CCO[C@@H]1C[C@H]([N@H+](C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863603 1076273796 /nfs/dbraw/zinc/27/37/96/1076273796.db2.gz VFHAYEDVHIHAJR-RZQQEMMASA-N 1 1 404.467 2.455 20 5 HEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863603 1076273807 /nfs/dbraw/zinc/27/38/07/1076273807.db2.gz VFHAYEDVHIHAJR-RZQQEMMASA-N 1 1 404.467 2.455 20 5 HEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742303635 1076812616 /nfs/dbraw/zinc/81/26/16/1076812616.db2.gz LEKSFRBAJGMNES-MNOVXSKESA-N 1 1 406.302 2.461 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303890 1076812953 /nfs/dbraw/zinc/81/29/53/1076812953.db2.gz BTZOHHDQPAEQBD-MFKMUULPSA-N 1 1 406.302 2.318 20 5 HEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594683 1077077895 /nfs/dbraw/zinc/07/78/95/1077077895.db2.gz VYPPTQWLTYGDLD-QFBILLFUSA-N 1 1 404.467 2.011 20 5 HEBDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744410739 1077383546 /nfs/dbraw/zinc/38/35/46/1077383546.db2.gz BDVLUTCYAAKNRP-GOSISDBHSA-N 1 1 403.527 2.050 20 5 HEBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956359 1079520808 /nfs/dbraw/zinc/52/08/08/1079520808.db2.gz IDGPQMLUIZEZBO-MAUKXSAKSA-N 1 1 415.450 2.214 20 5 HEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768538675 1080617785 /nfs/dbraw/zinc/61/77/85/1080617785.db2.gz CPIXOAJBTGIOCP-KRWDZBQOSA-N 1 1 411.503 2.264 20 5 HEBDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808575 1080785212 /nfs/dbraw/zinc/78/52/12/1080785212.db2.gz CIHGJNVBHGKQOU-CYBMUJFWSA-N 1 1 419.525 2.085 20 5 HEBDMO O=C(CC[N@H+]1CCc2ccccc2C1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000786821443 1080844400 /nfs/dbraw/zinc/84/44/00/1080844400.db2.gz MMRSTUZFFYSAHL-UHFFFAOYSA-N 1 1 409.442 2.476 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nc1 ZINC000769463787 1081088105 /nfs/dbraw/zinc/08/81/05/1081088105.db2.gz QKSQIPXDPGFJKR-ZDUSSCGKSA-N 1 1 401.379 2.356 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nc1 ZINC000769463787 1081088107 /nfs/dbraw/zinc/08/81/07/1081088107.db2.gz QKSQIPXDPGFJKR-ZDUSSCGKSA-N 1 1 401.379 2.356 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164685322 719709433 /nfs/dbraw/zinc/70/94/33/719709433.db2.gz VDDWIFQRHRXNFD-UHFFFAOYSA-N 1 1 417.844 2.369 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833722 720544775 /nfs/dbraw/zinc/54/47/75/720544775.db2.gz BGJLHNMDDPCNCJ-IXDOHACOSA-N 1 1 415.498 2.276 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164840220 720550670 /nfs/dbraw/zinc/55/06/70/720550670.db2.gz SGIKNCXKGJTVTQ-JYJNAYRXSA-N 1 1 420.901 2.456 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835427 720566713 /nfs/dbraw/zinc/56/67/13/720566713.db2.gz HIIURPLXLTUBGF-XIRDDKMYSA-N 1 1 420.901 2.456 20 5 HEBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164864640 721020381 /nfs/dbraw/zinc/02/03/81/721020381.db2.gz YSCWZGWNCBPSJR-ZDUSSCGKSA-N 1 1 416.486 2.270 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887340 721383171 /nfs/dbraw/zinc/38/31/71/721383171.db2.gz HRZSSYCXNIRVKL-LPHOPBHVSA-N 1 1 409.918 2.409 20 5 HEBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164791294 721465279 /nfs/dbraw/zinc/46/52/79/721465279.db2.gz WPMMGMGSZDHDAU-GOSISDBHSA-N 1 1 419.526 2.306 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905269 721536542 /nfs/dbraw/zinc/53/65/42/721536542.db2.gz HZTGWXGCADELIK-HIFRSBDPSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905269 721536544 /nfs/dbraw/zinc/53/65/44/721536544.db2.gz HZTGWXGCADELIK-HIFRSBDPSA-N 1 1 408.817 2.363 20 5 HEBDMO CC(C)N(C)Cc1nnc2n1CCCN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165009518 721712952 /nfs/dbraw/zinc/71/29/52/721712952.db2.gz UQSJWLXEUMIDIM-YFHOEESVSA-N 1 1 414.514 2.364 20 5 HEBDMO Cc1cnc2n1CCN(C)C21CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164917284 721818977 /nfs/dbraw/zinc/81/89/77/721818977.db2.gz GFZDDRJRAPXSBY-VMPITWQZSA-N 1 1 411.510 2.468 20 5 HEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932297 721885633 /nfs/dbraw/zinc/88/56/33/721885633.db2.gz IHHHXSVUVHDNCT-ZWKOTPCHSA-N 1 1 400.458 2.406 20 5 HEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932297 721885635 /nfs/dbraw/zinc/88/56/35/721885635.db2.gz IHHHXSVUVHDNCT-ZWKOTPCHSA-N 1 1 400.458 2.406 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971939 722121545 /nfs/dbraw/zinc/12/15/45/722121545.db2.gz DXEZIAYTRIAZQW-NVXWUHKLSA-N 1 1 419.869 2.004 20 5 HEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000745773145 1078637054 /nfs/dbraw/zinc/63/70/54/1078637054.db2.gz JPMXWEHMKNGBTQ-SFHVURJKSA-N 1 1 416.409 2.201 20 5 HEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000745773145 1078637057 /nfs/dbraw/zinc/63/70/57/1078637057.db2.gz JPMXWEHMKNGBTQ-SFHVURJKSA-N 1 1 416.409 2.201 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746296046 1078844912 /nfs/dbraw/zinc/84/49/12/1078844912.db2.gz IVKAPIREEWFBTP-RHSMWYFYSA-N 1 1 417.462 2.270 20 5 HEBDMO CCC[C@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC[N@H+]1CCOC ZINC000766375875 1078943315 /nfs/dbraw/zinc/94/33/15/1078943315.db2.gz MBPBCTZPSUBWLF-IBGZPJMESA-N 1 1 415.494 2.209 20 5 HEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043580 1079109734 /nfs/dbraw/zinc/10/97/34/1079109734.db2.gz HELFPVBUBJGPSF-OIISXLGYSA-N 1 1 421.494 2.352 20 5 HEBDMO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018053 1079110755 /nfs/dbraw/zinc/11/07/55/1079110755.db2.gz BIXJYPKVNBEPLK-DJPFJPOOSA-N 1 1 415.494 2.096 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022861 1079112108 /nfs/dbraw/zinc/11/21/08/1079112108.db2.gz NDAPDYKYJIEJMX-DZVNLGKHSA-N 1 1 417.539 2.149 20 5 HEBDMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023955 1079112505 /nfs/dbraw/zinc/11/25/05/1079112505.db2.gz WDBXPAOGLKYARM-OXFYSEKESA-N 1 1 404.442 2.108 20 5 HEBDMO COC(=O)c1cc2c(nc1N(C)C1CC1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024137 1079112561 /nfs/dbraw/zinc/11/25/61/1079112561.db2.gz QDHCBNHVDDMJRX-WMLDXEAASA-N 1 1 402.495 2.313 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)n1 ZINC001169105102 1079130901 /nfs/dbraw/zinc/13/09/01/1079130901.db2.gz AFJGINALJWEBRB-HXUWFJFHSA-N 1 1 412.402 2.153 20 5 HEBDMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001169106528 1079156666 /nfs/dbraw/zinc/15/66/66/1079156666.db2.gz XFVGDDYZRUJBGJ-SFHVURJKSA-N 1 1 404.810 2.258 20 5 HEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1N1CCN(C2CC2)CC1 ZINC000771145818 1079193226 /nfs/dbraw/zinc/19/32/26/1079193226.db2.gz IWOUNAONNRASDJ-UHFFFAOYSA-N 1 1 416.482 2.072 20 5 HEBDMO C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000771511281 1079366532 /nfs/dbraw/zinc/36/65/32/1079366532.db2.gz TVYAOIDLBIUMFN-GFCCVEGCSA-N 1 1 405.480 2.363 20 5 HEBDMO Cn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n(-c2ccccc2)c1=O ZINC001169962030 1079496121 /nfs/dbraw/zinc/49/61/21/1079496121.db2.gz UPUILHKOOHSYGP-UHFFFAOYSA-N 1 1 407.430 2.176 20 5 HEBDMO Cn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n(-c2ccccc2)c1=O ZINC001169962030 1079496126 /nfs/dbraw/zinc/49/61/26/1079496126.db2.gz UPUILHKOOHSYGP-UHFFFAOYSA-N 1 1 407.430 2.176 20 5 HEBDMO C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+]1[C@H](C)CC[C@H]1C ZINC000741023261 1076340402 /nfs/dbraw/zinc/34/04/02/1076340402.db2.gz UQMNWWZPAPRLAL-MGPQQGTHSA-N 1 1 421.450 2.499 20 5 HEBDMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000741750724 1076619118 /nfs/dbraw/zinc/61/91/18/1076619118.db2.gz YWUFDMCCMYCCCC-UHFFFAOYSA-N 1 1 410.902 2.303 20 5 HEBDMO C[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)(N2CCCCC2)CC1 ZINC000742011875 1076707083 /nfs/dbraw/zinc/70/70/83/1076707083.db2.gz SJZDQSFRJLCYSF-UHFFFAOYSA-N 1 1 408.474 2.179 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394326 1077374051 /nfs/dbraw/zinc/37/40/51/1077374051.db2.gz HRMWLIYYLBPIPZ-RCCFBDPRSA-N 1 1 423.514 2.406 20 5 HEBDMO C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745334881 1077805216 /nfs/dbraw/zinc/80/52/16/1077805216.db2.gz YMOJMSXQWPYEGH-VQIMIIECSA-N 1 1 411.458 2.460 20 5 HEBDMO COc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000766933637 1079512374 /nfs/dbraw/zinc/51/23/74/1079512374.db2.gz UXAHYTBGXRDMQP-UHFFFAOYSA-N 1 1 402.455 2.026 20 5 HEBDMO COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000767299384 1079799529 /nfs/dbraw/zinc/79/95/29/1079799529.db2.gz PRPCSHWIWXBLQY-WTKPLQERSA-N 1 1 412.446 2.377 20 5 HEBDMO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000767745093 1080062920 /nfs/dbraw/zinc/06/29/20/1080062920.db2.gz GYQIOBDLOKGAEY-UHFFFAOYSA-N 1 1 420.491 2.167 20 5 HEBDMO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000785855699 1080283776 /nfs/dbraw/zinc/28/37/76/1080283776.db2.gz NFNYPPLXHKZTLC-INIZCTEOSA-N 1 1 400.395 2.142 20 5 HEBDMO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000768556056 1080627204 /nfs/dbraw/zinc/62/72/04/1080627204.db2.gz ZYHXFIMUXGOGRY-UHFFFAOYSA-N 1 1 408.886 2.184 20 5 HEBDMO C[N@@H+](CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccc(F)cc1 ZINC000769064971 1080921505 /nfs/dbraw/zinc/92/15/05/1080921505.db2.gz NZNVKWXTBHDQCI-UHFFFAOYSA-N 1 1 415.377 2.005 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164650245 719317814 /nfs/dbraw/zinc/31/78/14/719317814.db2.gz CTVXYOHMUAPHCB-UHFFFAOYSA-N 1 1 402.455 2.178 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001164811506 720214275 /nfs/dbraw/zinc/21/42/75/720214275.db2.gz IXZNIEHZZAFBRZ-UHFFFAOYSA-N 1 1 406.874 2.450 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841102 720524367 /nfs/dbraw/zinc/52/43/67/720524367.db2.gz XNMKKEGLVWAFOG-BHYGNILZSA-N 1 1 415.454 2.472 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841423 720568939 /nfs/dbraw/zinc/56/89/39/720568939.db2.gz VLHGHGXYIMCFIX-YQVWRLOYSA-N 1 1 400.483 2.111 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164855526 720845488 /nfs/dbraw/zinc/84/54/88/720845488.db2.gz UJTSYYUROOXAKO-ACJLOTCBSA-N 1 1 421.885 2.365 20 5 HEBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765079 721085101 /nfs/dbraw/zinc/08/51/01/721085101.db2.gz IJJOMXDIJUWZQK-CHWSQXEVSA-N 1 1 423.930 2.452 20 5 HEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765072 721099530 /nfs/dbraw/zinc/09/95/30/721099530.db2.gz IHJNOBVCHZPDGN-VXGBXAGGSA-N 1 1 412.281 2.383 20 5 HEBDMO CSc1nc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764804 721146310 /nfs/dbraw/zinc/14/63/10/721146310.db2.gz IAEYZBOGYCWDRS-STQMWFEESA-N 1 1 423.930 2.452 20 5 HEBDMO Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890915 721418377 /nfs/dbraw/zinc/41/83/77/721418377.db2.gz UIBZRWWTMSXGGI-WIYYLYMNSA-N 1 1 403.527 2.372 20 5 HEBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164785687 721461945 /nfs/dbraw/zinc/46/19/45/721461945.db2.gz MPGBIQNJAPAKNT-QGZVFWFLSA-N 1 1 419.526 2.306 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906393 721533764 /nfs/dbraw/zinc/53/37/64/721533764.db2.gz KRXPSWSEXMSPIN-GDBMZVCRSA-N 1 1 403.414 2.183 20 5 HEBDMO CCOC(=O)c1ccnc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523113291 721961308 /nfs/dbraw/zinc/96/13/08/721961308.db2.gz JEEZYKFLXROGOW-UHFFFAOYSA-N 1 1 400.435 2.368 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981535 722105391 /nfs/dbraw/zinc/10/53/91/722105391.db2.gz LQELSINJCYRXQQ-HOTGVXAUSA-N 1 1 418.885 2.469 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)CC1 ZINC001164997841 722232827 /nfs/dbraw/zinc/23/28/27/722232827.db2.gz XIENSYMQSUFQNA-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769665601 1078505719 /nfs/dbraw/zinc/50/57/19/1078505719.db2.gz VJMJFTPBBAVOMO-UHFFFAOYSA-N 1 1 400.391 2.390 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746296045 1078844935 /nfs/dbraw/zinc/84/49/35/1078844935.db2.gz IVKAPIREEWFBTP-PBHICJAKSA-N 1 1 417.462 2.270 20 5 HEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746343484 1078867159 /nfs/dbraw/zinc/86/71/59/1078867159.db2.gz DWZVYDXTUVISSD-QGZVFWFLSA-N 1 1 402.495 2.235 20 5 HEBDMO O=C1C[C@]2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026187 1079113588 /nfs/dbraw/zinc/11/35/88/1079113588.db2.gz VRKGTHAGTLIKNG-QYWGDWMGSA-N 1 1 401.463 2.332 20 5 HEBDMO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048716 1079115568 /nfs/dbraw/zinc/11/55/68/1079115568.db2.gz AWDHBWUHSRRASI-DICRZQGBSA-N 1 1 411.499 2.306 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000771756166 1079486584 /nfs/dbraw/zinc/48/65/84/1079486584.db2.gz MOMNQUHUIKXEIR-UHFFFAOYSA-N 1 1 405.411 2.410 20 5 HEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326765 1075990980 /nfs/dbraw/zinc/99/09/80/1075990980.db2.gz RDPIZLVBWHBEDR-UHFFFAOYSA-N 1 1 408.499 2.458 20 5 HEBDMO C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741016498 1076336773 /nfs/dbraw/zinc/33/67/73/1076336773.db2.gz IFTNPNKUSGOBLQ-BRWVUGGUSA-N 1 1 418.494 2.048 20 5 HEBDMO CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000741625816 1076570578 /nfs/dbraw/zinc/57/05/78/1076570578.db2.gz SUQNUMRGSCEXRS-LLVKDONJSA-N 1 1 403.220 2.366 20 5 HEBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCC3(CCOCC3)C2)C1=O ZINC000742159417 1076771765 /nfs/dbraw/zinc/77/17/65/1076771765.db2.gz QNJJMJWYVLEIAZ-IBGZPJMESA-N 1 1 402.451 2.212 20 5 HEBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCCC3(CCOCC3)C2)C1=O ZINC000742159417 1076771771 /nfs/dbraw/zinc/77/17/71/1076771771.db2.gz QNJJMJWYVLEIAZ-IBGZPJMESA-N 1 1 402.451 2.212 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000742277017 1076808453 /nfs/dbraw/zinc/80/84/53/1076808453.db2.gz IVSNCOQXOAIBJJ-CHWSQXEVSA-N 1 1 404.286 2.262 20 5 HEBDMO O=[N+]([O-])c1ccc(OC2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000743021978 1076929799 /nfs/dbraw/zinc/92/97/99/1076929799.db2.gz KEUGPBOXDZFUHT-UHFFFAOYSA-N 1 1 408.524 2.035 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766949279 1079542598 /nfs/dbraw/zinc/54/25/98/1079542598.db2.gz HKAGOUPZRQQFAX-YJBOKZPZSA-N 1 1 417.466 2.254 20 5 HEBDMO O=C1COc2cc([N+](=O)[O-])c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc2N1 ZINC000767312443 1079813334 /nfs/dbraw/zinc/81/33/34/1079813334.db2.gz QVELHDUIUVMNGS-MRXNPFEDSA-N 1 1 412.446 2.495 20 5 HEBDMO Cc1c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785809732 1080253962 /nfs/dbraw/zinc/25/39/62/1080253962.db2.gz DNFKYOQLBCXXMR-LBPRGKRZSA-N 1 1 406.439 2.445 20 5 HEBDMO C[N@H+]1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590619 1080260562 /nfs/dbraw/zinc/26/05/62/1080260562.db2.gz NEXNJDARSOMSGU-LBPRGKRZSA-N 1 1 403.220 2.269 20 5 HEBDMO COCCNC(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768237172 1080413981 /nfs/dbraw/zinc/41/39/81/1080413981.db2.gz LEAFFWPDEIORPW-UHFFFAOYSA-N 1 1 400.273 2.332 20 5 HEBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787189186 1081055730 /nfs/dbraw/zinc/05/57/30/1081055730.db2.gz LZFZSZVEVPHOIS-DZGCQCFKSA-N 1 1 402.373 2.276 20 5 HEBDMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-] ZINC001164820075 720192136 /nfs/dbraw/zinc/19/21/36/720192136.db2.gz ZJWOVKQTGQUWEK-IERDGZPVSA-N 1 1 418.494 2.351 20 5 HEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738531 720687550 /nfs/dbraw/zinc/68/75/50/720687550.db2.gz KJSFIVZQHZIYOX-MNOVXSKESA-N 1 1 411.249 2.429 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1 ZINC001164745589 720822564 /nfs/dbraw/zinc/82/25/64/720822564.db2.gz WYSSSJWZRCWCCZ-YXJHDRRASA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC001164853358 720834930 /nfs/dbraw/zinc/83/49/30/720834930.db2.gz OJGNRXNKVFILHN-IUODEOHRSA-N 1 1 420.844 2.362 20 5 HEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164747497 720835846 /nfs/dbraw/zinc/83/58/46/720835846.db2.gz QXVWMFCLLDEDOU-LZLYRXPVSA-N 1 1 422.493 2.442 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854182 720851933 /nfs/dbraw/zinc/85/19/33/720851933.db2.gz PUQJYJZGGRWEIM-YPMHNXCESA-N 1 1 405.282 2.470 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870066 721046986 /nfs/dbraw/zinc/04/69/86/721046986.db2.gz VPWUKBCSQXRTDT-CABCVRRESA-N 1 1 404.858 2.221 20 5 HEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865761 721080975 /nfs/dbraw/zinc/08/09/75/721080975.db2.gz PHARZTXLMPHNGJ-ZWKOTPCHSA-N 1 1 406.446 2.413 20 5 HEBDMO CSc1nc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764795 721145965 /nfs/dbraw/zinc/14/59/65/721145965.db2.gz IAEYZBOGYCWDRS-CHWSQXEVSA-N 1 1 423.930 2.452 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164784244 721364371 /nfs/dbraw/zinc/36/43/71/721364371.db2.gz QZOZPXQBPCANLF-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164784244 721364376 /nfs/dbraw/zinc/36/43/76/721364376.db2.gz QZOZPXQBPCANLF-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894495 721383451 /nfs/dbraw/zinc/38/34/51/721383451.db2.gz YJYZUUZDADESFL-QFBILLFUSA-N 1 1 409.918 2.409 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788051 721417702 /nfs/dbraw/zinc/41/77/02/721417702.db2.gz QQCGSIYCLLGISX-BETUJISGSA-N 1 1 403.464 2.191 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788051 721417703 /nfs/dbraw/zinc/41/77/03/721417703.db2.gz QQCGSIYCLLGISX-BETUJISGSA-N 1 1 403.464 2.191 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890764 721424200 /nfs/dbraw/zinc/42/42/00/721424200.db2.gz FGUFFNBEXYQONY-HRAATJIYSA-N 1 1 414.510 2.237 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164808426 721541867 /nfs/dbraw/zinc/54/18/67/721541867.db2.gz SDNBBTSIWNAOES-JQHSSLGASA-N 1 1 414.422 2.161 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164808426 721541871 /nfs/dbraw/zinc/54/18/71/721541871.db2.gz SDNBBTSIWNAOES-JQHSSLGASA-N 1 1 414.422 2.161 20 5 HEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173634 1078769346 /nfs/dbraw/zinc/76/93/46/1078769346.db2.gz PWIUUSBWMSUCBJ-KRWDZBQOSA-N 1 1 403.527 2.341 20 5 HEBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134439 1078802118 /nfs/dbraw/zinc/80/21/18/1078802118.db2.gz OOOACOXNCCUXPW-HKUYNNGSSA-N 1 1 419.478 2.244 20 5 HEBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000746134439 1078802123 /nfs/dbraw/zinc/80/21/23/1078802123.db2.gz OOOACOXNCCUXPW-HKUYNNGSSA-N 1 1 419.478 2.244 20 5 HEBDMO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2cccs2)CC1 ZINC000746231980 1078822633 /nfs/dbraw/zinc/82/26/33/1078822633.db2.gz YPAHIMIGVWNDCN-KRWDZBQOSA-N 1 1 422.482 2.279 20 5 HEBDMO COC(=O)C[C@]1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCOC1 ZINC000770696984 1078965555 /nfs/dbraw/zinc/96/55/55/1078965555.db2.gz IWNCEIAIKTUPOW-QGZVFWFLSA-N 1 1 404.366 2.407 20 5 HEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043573 1079109792 /nfs/dbraw/zinc/10/97/92/1079109792.db2.gz HELFPVBUBJGPSF-DJIMGWMZSA-N 1 1 421.494 2.352 20 5 HEBDMO CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018061 1079110769 /nfs/dbraw/zinc/11/07/69/1079110769.db2.gz BIXJYPKVNBEPLK-PLMTUMEDSA-N 1 1 415.494 2.096 20 5 HEBDMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc12 ZINC001169112039 1079159121 /nfs/dbraw/zinc/15/91/21/1079159121.db2.gz GQHIINDXQHHOEK-OAQYLSRUSA-N 1 1 408.414 2.215 20 5 HEBDMO Cn1cc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001169515028 1079319611 /nfs/dbraw/zinc/31/96/11/1079319611.db2.gz DRKCYBZCDUWQQU-CRAIPNDOSA-N 1 1 400.435 2.165 20 5 HEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400788 1079323130 /nfs/dbraw/zinc/32/31/30/1079323130.db2.gz ZRXPMEFVKUVHJN-NXEZZACHSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400788 1079323134 /nfs/dbraw/zinc/32/31/34/1079323134.db2.gz ZRXPMEFVKUVHJN-NXEZZACHSA-N 1 1 403.220 2.364 20 5 HEBDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771756894 1079487822 /nfs/dbraw/zinc/48/78/22/1079487822.db2.gz SSLFFINQAIORIL-ZBFHGGJFSA-N 1 1 417.503 2.458 20 5 HEBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000737779058 1075928716 /nfs/dbraw/zinc/92/87/16/1075928716.db2.gz WUXYWEIIKSIHOQ-UHFFFAOYSA-N 1 1 414.487 2.426 20 5 HEBDMO CCO[C@@H]1C[C@H]([N@H+](C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863604 1076273719 /nfs/dbraw/zinc/27/37/19/1076273719.db2.gz VFHAYEDVHIHAJR-YRNRMSPPSA-N 1 1 404.467 2.455 20 5 HEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C ZINC000740863604 1076273722 /nfs/dbraw/zinc/27/37/22/1076273722.db2.gz VFHAYEDVHIHAJR-YRNRMSPPSA-N 1 1 404.467 2.455 20 5 HEBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741200906 1076414760 /nfs/dbraw/zinc/41/47/60/1076414760.db2.gz ABQJOROARFWXIZ-IIBYNOLFSA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741200906 1076414768 /nfs/dbraw/zinc/41/47/68/1076414768.db2.gz ABQJOROARFWXIZ-IIBYNOLFSA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741200901 1076414824 /nfs/dbraw/zinc/41/48/24/1076414824.db2.gz ABQJOROARFWXIZ-HRAATJIYSA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741200901 1076414829 /nfs/dbraw/zinc/41/48/29/1076414829.db2.gz ABQJOROARFWXIZ-HRAATJIYSA-N 1 1 423.473 2.350 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000743346910 1077035441 /nfs/dbraw/zinc/03/54/41/1077035441.db2.gz ZHIHTEHZBAAWFN-UHFFFAOYSA-N 1 1 421.498 2.337 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843012 1077148048 /nfs/dbraw/zinc/14/80/48/1077148048.db2.gz KMMRDHQYZBOHBS-CGTJXYLNSA-N 1 1 423.514 2.264 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000744392412 1077373862 /nfs/dbraw/zinc/37/38/62/1077373862.db2.gz MOADPQFIRATHBE-KRWDZBQOSA-N 1 1 409.487 2.016 20 5 HEBDMO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407712 1077382503 /nfs/dbraw/zinc/38/25/03/1077382503.db2.gz PTNQPSLOOBFKNN-CQSZACIVSA-N 1 1 400.395 2.413 20 5 HEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000771815091 1079545061 /nfs/dbraw/zinc/54/50/61/1079545061.db2.gz HMSFTTVIPKMHTC-KRWDZBQOSA-N 1 1 404.511 2.360 20 5 HEBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808579 1080785399 /nfs/dbraw/zinc/78/53/99/1080785399.db2.gz CIHGJNVBHGKQOU-ZDUSSCGKSA-N 1 1 419.525 2.085 20 5 HEBDMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786802635 1080836036 /nfs/dbraw/zinc/83/60/36/1080836036.db2.gz YPOKNGADOKBVQB-HXUWFJFHSA-N 1 1 419.503 2.072 20 5 HEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786802635 1080836042 /nfs/dbraw/zinc/83/60/42/1080836042.db2.gz YPOKNGADOKBVQB-HXUWFJFHSA-N 1 1 419.503 2.072 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000787017211 1080948192 /nfs/dbraw/zinc/94/81/92/1080948192.db2.gz YSEOCCJKSIAPQL-UHFFFAOYSA-N 1 1 410.438 2.227 20 5 HEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142010 1080958327 /nfs/dbraw/zinc/95/83/27/1080958327.db2.gz YMMUOQIJUQMTPL-UWVGGRQHSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000769142010 1080958337 /nfs/dbraw/zinc/95/83/37/1080958337.db2.gz YMMUOQIJUQMTPL-UWVGGRQHSA-N 1 1 403.220 2.364 20 5 HEBDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000787116103 1081007040 /nfs/dbraw/zinc/00/70/40/1081007040.db2.gz JTWZHGYACYTFBD-UHFFFAOYSA-N 1 1 411.462 2.136 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451070 1081083617 /nfs/dbraw/zinc/08/36/17/1081083617.db2.gz JDWWGULEHZUVMX-SMDDNHRTSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451622 1081084508 /nfs/dbraw/zinc/08/45/08/1081084508.db2.gz LXHLGRCTDSBFBW-RISCZKNCSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532713 1081113290 /nfs/dbraw/zinc/11/32/90/1081113290.db2.gz MCLRPJLQHIOYJA-OAHLLOKOSA-N 1 1 411.300 2.096 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164648884 719307860 /nfs/dbraw/zinc/30/78/60/719307860.db2.gz RSFSKXHXNZBMQN-UHFFFAOYSA-N 1 1 402.455 2.178 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698941 719878655 /nfs/dbraw/zinc/87/86/55/719878655.db2.gz GHWMMLWFSGACQS-LAUBAEHRSA-N 1 1 414.462 2.376 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833717 720545042 /nfs/dbraw/zinc/54/50/42/720545042.db2.gz BGJLHNMDDPCNCJ-GVDBMIGSSA-N 1 1 415.498 2.276 20 5 HEBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740036 720839850 /nfs/dbraw/zinc/83/98/50/720839850.db2.gz BPJKQWVKHSAHCF-SOLBZPMBSA-N 1 1 422.493 2.442 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164783005 721356387 /nfs/dbraw/zinc/35/63/87/721356387.db2.gz OTIQAMOAQCKVOG-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164783005 721356395 /nfs/dbraw/zinc/35/63/95/721356395.db2.gz OTIQAMOAQCKVOG-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984381 722107854 /nfs/dbraw/zinc/10/78/54/722107854.db2.gz SYIIHAVJTBUPPC-QAPCUYQASA-N 1 1 414.422 2.020 20 5 HEBDMO CCC[C@@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766431437 1079001311 /nfs/dbraw/zinc/00/13/11/1079001311.db2.gz UHUOQWMJTRSJGW-CYBMUJFWSA-N 1 1 410.427 2.227 20 5 HEBDMO CCC[C@@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000766431437 1079001322 /nfs/dbraw/zinc/00/13/22/1079001322.db2.gz UHUOQWMJTRSJGW-CYBMUJFWSA-N 1 1 410.427 2.227 20 5 HEBDMO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011886 1079099060 /nfs/dbraw/zinc/09/90/60/1079099060.db2.gz NDYYPEFYDUKXQK-ZOFXXKQRSA-N 1 1 411.499 2.305 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025283 1079113037 /nfs/dbraw/zinc/11/30/37/1079113037.db2.gz YKQIXNYDNGSVQA-JSXRDJHFSA-N 1 1 421.563 2.401 20 5 HEBDMO CCN1[C@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024816 1079113156 /nfs/dbraw/zinc/11/31/56/1079113156.db2.gz QYJNSXNUTBHARG-XSLAGTTESA-N 1 1 423.535 2.368 20 5 HEBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149878 1079166595 /nfs/dbraw/zinc/16/65/95/1079166595.db2.gz PCRDJVCSXUADIM-QGZVFWFLSA-N 1 1 406.446 2.488 20 5 HEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537845 1079325290 /nfs/dbraw/zinc/32/52/90/1079325290.db2.gz BROMWJBXIYUKLZ-DNVCBOLYSA-N 1 1 421.461 2.211 20 5 HEBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741200904 1076414952 /nfs/dbraw/zinc/41/49/52/1076414952.db2.gz ABQJOROARFWXIZ-IERDGZPVSA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741200904 1076414957 /nfs/dbraw/zinc/41/49/57/1076414957.db2.gz ABQJOROARFWXIZ-IERDGZPVSA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000741577893 1076551776 /nfs/dbraw/zinc/55/17/76/1076551776.db2.gz NHIUWWNFTRTNBM-INIZCTEOSA-N 1 1 416.453 2.440 20 5 HEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000742011793 1076706722 /nfs/dbraw/zinc/70/67/22/1076706722.db2.gz PENDSOMTWPOJOA-UHFFFAOYSA-N 1 1 419.482 2.492 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305623 1076813273 /nfs/dbraw/zinc/81/32/73/1076813273.db2.gz WZVQKJMLFKPSSB-CMPLNLGQSA-N 1 1 406.302 2.318 20 5 HEBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766445 1077119188 /nfs/dbraw/zinc/11/91/88/1077119188.db2.gz XOMSYXVEJZACIF-HXUWFJFHSA-N 1 1 414.418 2.178 20 5 HEBDMO O=C1OCCN1c1cccc2c1CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857414 1077144246 /nfs/dbraw/zinc/14/42/46/1077144246.db2.gz AYXFHJRCUWJACR-QGZVFWFLSA-N 1 1 413.430 2.349 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nc1 ZINC000744403415 1077381537 /nfs/dbraw/zinc/38/15/37/1077381537.db2.gz OBJAOIJHNLGWSM-AWEZNQCLSA-N 1 1 401.379 2.451 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nc1 ZINC000744403415 1077381542 /nfs/dbraw/zinc/38/15/42/1077381542.db2.gz OBJAOIJHNLGWSM-AWEZNQCLSA-N 1 1 401.379 2.451 20 5 HEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432440 1079861030 /nfs/dbraw/zinc/86/10/30/1079861030.db2.gz FVDVHNNSRIVVOD-PXNSSMCTSA-N 1 1 412.494 2.023 20 5 HEBDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000767940475 1080233987 /nfs/dbraw/zinc/23/39/87/1080233987.db2.gz MNIYJOQFVSJGRW-SFHVURJKSA-N 1 1 404.511 2.382 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC001169985970 1080355812 /nfs/dbraw/zinc/35/58/12/1080355812.db2.gz MJOQNSGZWNXKCF-MRXNPFEDSA-N 1 1 405.480 2.456 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC001169985970 1080355821 /nfs/dbraw/zinc/35/58/21/1080355821.db2.gz MJOQNSGZWNXKCF-MRXNPFEDSA-N 1 1 405.480 2.456 20 5 HEBDMO O=C([C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000768235017 1080435515 /nfs/dbraw/zinc/43/55/15/1080435515.db2.gz VNUDNSOSQBUENS-ZDUSSCGKSA-N 1 1 412.284 2.428 20 5 HEBDMO O=C([C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000768235017 1080435534 /nfs/dbraw/zinc/43/55/34/1080435534.db2.gz VNUDNSOSQBUENS-ZDUSSCGKSA-N 1 1 412.284 2.428 20 5 HEBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164709709 720095911 /nfs/dbraw/zinc/09/59/11/720095911.db2.gz CLKDPINCOHSZME-IBGZPJMESA-N 1 1 413.478 2.131 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745458 720810907 /nfs/dbraw/zinc/81/09/07/720810907.db2.gz KLASPUIMARHDRG-RBSFLKMASA-N 1 1 418.889 2.009 20 5 HEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740863 720817346 /nfs/dbraw/zinc/81/73/46/720817346.db2.gz LVOCITYVOAHRRO-HYVNUMGLSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854174 720852224 /nfs/dbraw/zinc/85/22/24/720852224.db2.gz PUQJYJZGGRWEIM-AAEUAGOBSA-N 1 1 405.282 2.470 20 5 HEBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867535 721057607 /nfs/dbraw/zinc/05/76/07/721057607.db2.gz JNQDSDHRQDQFSN-ZWKOTPCHSA-N 1 1 406.446 2.413 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893624 721382529 /nfs/dbraw/zinc/38/25/29/721382529.db2.gz WFUALQAHCHXXRM-APWZRJJASA-N 1 1 409.918 2.409 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889825 721392285 /nfs/dbraw/zinc/39/22/85/721392285.db2.gz MNMVTBVZEWURNW-HNAYVOBHSA-N 1 1 424.933 2.112 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888200 721417562 /nfs/dbraw/zinc/41/75/62/721417562.db2.gz NLWKFCRAHYASRQ-WIYYLYMNSA-N 1 1 403.527 2.372 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890767 721425088 /nfs/dbraw/zinc/42/50/88/721425088.db2.gz FGUFFNBEXYQONY-KKSFZXQISA-N 1 1 414.510 2.237 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904007 721543616 /nfs/dbraw/zinc/54/36/16/721543616.db2.gz FCJSCFCMFFQPNN-GOEBONIOSA-N 1 1 408.817 2.363 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2CCCO[C@@H]12 ZINC001164803961 721565013 /nfs/dbraw/zinc/56/50/13/721565013.db2.gz JZLTZVPUDREWLV-FRQCXROJSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2CCCO[C@@H]12 ZINC001164803961 721565018 /nfs/dbraw/zinc/56/50/18/721565018.db2.gz JZLTZVPUDREWLV-FRQCXROJSA-N 1 1 419.869 2.145 20 5 HEBDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc(OC)c1 ZINC000769714836 1078533587 /nfs/dbraw/zinc/53/35/87/1078533587.db2.gz VUQRLUUFLLUVJH-AWEZNQCLSA-N 1 1 400.435 2.199 20 5 HEBDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)cc(OC)c1 ZINC000769714836 1078533592 /nfs/dbraw/zinc/53/35/92/1078533592.db2.gz VUQRLUUFLLUVJH-AWEZNQCLSA-N 1 1 400.435 2.199 20 5 HEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000065420913 1078661359 /nfs/dbraw/zinc/66/13/59/1078661359.db2.gz WUEKFUZUTWBKGT-CYBMUJFWSA-N 1 1 408.524 2.413 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000746464748 1079023276 /nfs/dbraw/zinc/02/32/76/1079023276.db2.gz YPFKAVGXFVNPEZ-UHFFFAOYSA-N 1 1 421.523 2.431 20 5 HEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C[C@@]2(C)C1 ZINC001168929154 1079088207 /nfs/dbraw/zinc/08/82/07/1079088207.db2.gz GDVYLVXDQWGFKC-HDICACEKSA-N 1 1 402.480 2.278 20 5 HEBDMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169029726 1079102897 /nfs/dbraw/zinc/10/28/97/1079102897.db2.gz VPFIMBOGSZOVQP-NBYUQASBSA-N 1 1 407.536 2.109 20 5 HEBDMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023956 1079112540 /nfs/dbraw/zinc/11/25/40/1079112540.db2.gz WDBXPAOGLKYARM-RIFZZMRRSA-N 1 1 404.442 2.108 20 5 HEBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150764 1079166660 /nfs/dbraw/zinc/16/66/60/1079166660.db2.gz VKVRVTHBERBDES-GOSISDBHSA-N 1 1 406.446 2.488 20 5 HEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771504202 1079356879 /nfs/dbraw/zinc/35/68/79/1079356879.db2.gz UPBKZHNPUUKUJM-UHFFFAOYSA-N 1 1 413.459 2.362 20 5 HEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771509772 1079366521 /nfs/dbraw/zinc/36/65/21/1079366521.db2.gz LFMRQXDYJCFGID-OCCSQVGLSA-N 1 1 407.496 2.466 20 5 HEBDMO O=[N+]([O-])c1cc(I)cc(CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001169900897 1079469994 /nfs/dbraw/zinc/46/99/94/1079469994.db2.gz OPPVNBWOYZXOMB-UHFFFAOYSA-N 1 1 413.219 2.245 20 5 HEBDMO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000771755883 1079487241 /nfs/dbraw/zinc/48/72/41/1079487241.db2.gz JRHPXVOQHLUXBP-MRXNPFEDSA-N 1 1 405.373 2.050 20 5 HEBDMO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000771781009 1079503052 /nfs/dbraw/zinc/50/30/52/1079503052.db2.gz SPVZWLLJTSLDAR-ZDUSSCGKSA-N 1 1 404.423 2.014 20 5 HEBDMO CCC(CC)[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000742034788 1076726846 /nfs/dbraw/zinc/72/68/46/1076726846.db2.gz WGBYLDNZFNUOSZ-FQEVSTJZSA-N 1 1 404.511 2.380 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000742277018 1076808428 /nfs/dbraw/zinc/80/84/28/1076808428.db2.gz IVSNCOQXOAIBJJ-OLZOCXBDSA-N 1 1 404.286 2.262 20 5 HEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742304111 1076812632 /nfs/dbraw/zinc/81/26/32/1076812632.db2.gz PCRHQTJEMYNVGR-MNOVXSKESA-N 1 1 406.302 2.461 20 5 HEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345894 1076831905 /nfs/dbraw/zinc/83/19/05/1076831905.db2.gz ATWWPSSIFUGROO-NSHDSACASA-N 1 1 406.302 2.320 20 5 HEBDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC000746547553 1079937100 /nfs/dbraw/zinc/93/71/00/1079937100.db2.gz GDIHUUXEABMENG-UHFFFAOYSA-N 1 1 400.410 2.303 20 5 HEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640281 1080085574 /nfs/dbraw/zinc/08/55/74/1080085574.db2.gz GJJWQXGXMQQXOS-ZFWWWQNUSA-N 1 1 416.434 2.112 20 5 HEBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736134 1080208529 /nfs/dbraw/zinc/20/85/29/1080208529.db2.gz PGAUVRMNNWNEFW-BETUJISGSA-N 1 1 407.423 2.111 20 5 HEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736134 1080208554 /nfs/dbraw/zinc/20/85/54/1080208554.db2.gz PGAUVRMNNWNEFW-BETUJISGSA-N 1 1 407.423 2.111 20 5 HEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000785815753 1080256728 /nfs/dbraw/zinc/25/67/28/1080256728.db2.gz RRILRTATYDXNQG-AWEZNQCLSA-N 1 1 406.439 2.147 20 5 HEBDMO CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785862682 1080287448 /nfs/dbraw/zinc/28/74/48/1080287448.db2.gz BRZDPOAWVMSKNM-UHFFFAOYSA-N 1 1 414.466 2.205 20 5 HEBDMO CN(CC(=O)OCCN1CC[NH+](Cc2ccsc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000772673132 1080292229 /nfs/dbraw/zinc/29/22/29/1080292229.db2.gz YDICGXNIVWTQFE-UHFFFAOYSA-N 1 1 418.519 2.454 20 5 HEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000786865405 1080859954 /nfs/dbraw/zinc/85/99/54/1080859954.db2.gz NXIBVFRSMSSIHA-UHFFFAOYSA-N 1 1 410.434 2.180 20 5 HEBDMO C[N@@H+](CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000769070328 1080924380 /nfs/dbraw/zinc/92/43/80/1080924380.db2.gz RCZAYGJYMRYVMY-UHFFFAOYSA-N 1 1 417.393 2.135 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451623 1081084639 /nfs/dbraw/zinc/08/46/39/1081084639.db2.gz LXHLGRCTDSBFBW-SMDDNHRTSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451595 1081085025 /nfs/dbraw/zinc/08/50/25/1081085025.db2.gz KKEIVDCCAFPVOJ-BXUZGUMPSA-N 1 1 418.313 2.462 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164683955 719708562 /nfs/dbraw/zinc/70/85/62/719708562.db2.gz MIXUCXWRQULCHR-UHFFFAOYSA-N 1 1 402.282 2.477 20 5 HEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745833 720780383 /nfs/dbraw/zinc/78/03/83/720780383.db2.gz VZCSTHNCECDEHT-HZPDHXFCSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745834 720780674 /nfs/dbraw/zinc/78/06/74/720780674.db2.gz VZCSTHNCECDEHT-JKSUJKDBSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740034 720839740 /nfs/dbraw/zinc/83/97/40/720839740.db2.gz BPJKQWVKHSAHCF-JFIYKMOQSA-N 1 1 422.493 2.442 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164783003 721355730 /nfs/dbraw/zinc/35/57/30/721355730.db2.gz OTIQAMOAQCKVOG-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164783003 721355733 /nfs/dbraw/zinc/35/57/33/721355733.db2.gz OTIQAMOAQCKVOG-FQEVSTJZSA-N 1 1 416.482 2.296 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888865 721402461 /nfs/dbraw/zinc/40/24/61/721402461.db2.gz PACDRZVZQZUBIP-APWZRJJASA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883645 721420691 /nfs/dbraw/zinc/42/06/91/721420691.db2.gz BPTJPHFHKHFNSI-IERDGZPVSA-N 1 1 414.510 2.237 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983424 722100479 /nfs/dbraw/zinc/10/04/79/722100479.db2.gz QAPUBGXYWPAGGK-HOCLYGCPSA-N 1 1 404.858 2.161 20 5 HEBDMO COc1cc(C)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971418 722112582 /nfs/dbraw/zinc/11/25/82/722112582.db2.gz CKBFMQDRFQBUDM-HKUYNNGSSA-N 1 1 413.478 2.429 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000770299297 1078822483 /nfs/dbraw/zinc/82/24/83/1078822483.db2.gz LHRYFWHQUXGCEA-UHFFFAOYSA-N 1 1 406.406 2.360 20 5 HEBDMO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000770686969 1078936268 /nfs/dbraw/zinc/93/62/68/1078936268.db2.gz AWYGLMRCDFZZCG-QHCPKHFHSA-N 1 1 422.485 2.375 20 5 HEBDMO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000770686969 1078936283 /nfs/dbraw/zinc/93/62/83/1078936283.db2.gz AWYGLMRCDFZZCG-QHCPKHFHSA-N 1 1 422.485 2.375 20 5 HEBDMO CC(C)(C)OC(=O)N1CCOC[C@]2(C1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCCO2 ZINC001169014401 1079099904 /nfs/dbraw/zinc/09/99/04/1079099904.db2.gz ZDKBRYLISBNFJL-SQGPQFPESA-N 1 1 413.515 2.160 20 5 HEBDMO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021490 1079111660 /nfs/dbraw/zinc/11/16/60/1079111660.db2.gz OIBNFFXHHJUIOO-AEXBHSQCSA-N 1 1 407.536 2.332 20 5 HEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C(C)(C)C1 ZINC000766616224 1079182194 /nfs/dbraw/zinc/18/21/94/1079182194.db2.gz GCUAUCRRWVMFNE-UHFFFAOYSA-N 1 1 403.220 2.366 20 5 HEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C(C)(C)C1 ZINC000766616224 1079182199 /nfs/dbraw/zinc/18/21/99/1079182199.db2.gz GCUAUCRRWVMFNE-UHFFFAOYSA-N 1 1 403.220 2.366 20 5 HEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@H+]1C ZINC000771400797 1079323674 /nfs/dbraw/zinc/32/36/74/1079323674.db2.gz ZRXPMEFVKUVHJN-ZJUUUORDSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[N@@H+]1C ZINC000771400797 1079323677 /nfs/dbraw/zinc/32/36/77/1079323677.db2.gz ZRXPMEFVKUVHJN-ZJUUUORDSA-N 1 1 403.220 2.364 20 5 HEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771573227 1079376223 /nfs/dbraw/zinc/37/62/23/1079376223.db2.gz YLLZFPMLSHDDBC-UHFFFAOYSA-N 1 1 403.220 2.366 20 5 HEBDMO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000771781006 1079503116 /nfs/dbraw/zinc/50/31/16/1079503116.db2.gz SPVZWLLJTSLDAR-CYBMUJFWSA-N 1 1 404.423 2.014 20 5 HEBDMO C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000741031040 1076331494 /nfs/dbraw/zinc/33/14/94/1076331494.db2.gz ZRZCDWBUIJRBMX-QGZVFWFLSA-N 1 1 418.494 2.051 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741016500 1076337093 /nfs/dbraw/zinc/33/70/93/1076337093.db2.gz IFTNPNKUSGOBLQ-ZACQAIPSSA-N 1 1 418.494 2.048 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)[C@H](C)C1 ZINC000741589718 1076547633 /nfs/dbraw/zinc/54/76/33/1076547633.db2.gz NSDIPNLYVZJIKQ-KEYYUXOJSA-N 1 1 406.458 2.276 20 5 HEBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000741577897 1076551699 /nfs/dbraw/zinc/55/16/99/1076551699.db2.gz NHIUWWNFTRTNBM-MRXNPFEDSA-N 1 1 416.453 2.440 20 5 HEBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107792 1076743598 /nfs/dbraw/zinc/74/35/98/1076743598.db2.gz UKFRVGKEKXCDQZ-KRWDZBQOSA-N 1 1 402.495 2.379 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303885 1076812790 /nfs/dbraw/zinc/81/27/90/1076812790.db2.gz BTZOHHDQPAEQBD-GWCFXTLKSA-N 1 1 406.302 2.318 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000742293441 1076819845 /nfs/dbraw/zinc/81/98/45/1076819845.db2.gz HGYQMCJILCAHQV-NSHDSACASA-N 1 1 404.286 2.120 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843013 1077147678 /nfs/dbraw/zinc/14/76/78/1077147678.db2.gz KMMRDHQYZBOHBS-KBAYOESNSA-N 1 1 423.514 2.264 20 5 HEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000767459313 1079884084 /nfs/dbraw/zinc/88/40/84/1079884084.db2.gz XTPRMMCAMMOHEH-HNNXBMFYSA-N 1 1 419.507 2.497 20 5 HEBDMO CC(=O)N1CCN(c2ccc(C(=O)OCCCn3cc[nH+]c3C)cc2[N+](=O)[O-])CC1 ZINC000767521259 1079916150 /nfs/dbraw/zinc/91/61/50/1079916150.db2.gz RKJJCRBJSFFMLD-UHFFFAOYSA-N 1 1 415.450 2.015 20 5 HEBDMO C[N@@H+](CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000768838157 1080818735 /nfs/dbraw/zinc/81/87/35/1080818735.db2.gz ZHTGWMYYSPTPRH-UHFFFAOYSA-N 1 1 424.548 2.095 20 5 HEBDMO O=C(CC[N@H+]1CCc2ccccc2C1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000786819986 1080843870 /nfs/dbraw/zinc/84/38/70/1080843870.db2.gz CXMQIMPODGJBSY-UHFFFAOYSA-N 1 1 409.442 2.476 20 5 HEBDMO COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000787111946 1081005497 /nfs/dbraw/zinc/00/54/97/1081005497.db2.gz BCBMTXUBZJQIRP-OAQYLSRUSA-N 1 1 412.446 2.115 20 5 HEBDMO COC(=O)COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000787288128 1081093722 /nfs/dbraw/zinc/09/37/22/1081093722.db2.gz HYQJORCYCOPGEF-UHFFFAOYSA-N 1 1 419.394 2.088 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164686187 719700135 /nfs/dbraw/zinc/70/01/35/719700135.db2.gz XVULHIZRFQQMCK-UHFFFAOYSA-N 1 1 417.844 2.369 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164814461 720142117 /nfs/dbraw/zinc/14/21/17/720142117.db2.gz SXFLPOJQPOPEIN-HRAATJIYSA-N 1 1 418.494 2.351 20 5 HEBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1[N+](=O)[O-] ZINC001164820072 720192210 /nfs/dbraw/zinc/19/22/10/720192210.db2.gz ZJWOVKQTGQUWEK-HRAATJIYSA-N 1 1 418.494 2.351 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841422 720567495 /nfs/dbraw/zinc/56/74/95/720567495.db2.gz VLHGHGXYIMCFIX-JENIJYKNSA-N 1 1 400.483 2.111 20 5 HEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164747501 720836329 /nfs/dbraw/zinc/83/63/29/720836329.db2.gz QXVWMFCLLDEDOU-XYJFISCASA-N 1 1 422.493 2.442 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164854267 720845187 /nfs/dbraw/zinc/84/51/87/720845187.db2.gz QQYDAMCFQIYUDR-FZMZJTMJSA-N 1 1 405.282 2.470 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@H]2C1 ZINC001164865059 720873573 /nfs/dbraw/zinc/87/35/73/720873573.db2.gz YCWVMJIXUDPLIM-PXNSSMCTSA-N 1 1 413.478 2.225 20 5 HEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868346 721062187 /nfs/dbraw/zinc/06/21/87/721062187.db2.gz NZKJDMSGONYHIR-ROUUACIJSA-N 1 1 406.446 2.413 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164779451 721347663 /nfs/dbraw/zinc/34/76/63/721347663.db2.gz TVAAQHWMPCFMPY-HXUWFJFHSA-N 1 1 416.482 2.417 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164779451 721347671 /nfs/dbraw/zinc/34/76/71/721347671.db2.gz TVAAQHWMPCFMPY-HXUWFJFHSA-N 1 1 416.482 2.417 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888498 721391100 /nfs/dbraw/zinc/39/11/00/721391100.db2.gz JOJBNFHFHKBQFS-BEFAXECRSA-N 1 1 409.918 2.409 20 5 HEBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896815 721524355 /nfs/dbraw/zinc/52/43/55/721524355.db2.gz BNIPHSZICCEMBD-WBVHZDCISA-N 1 1 416.409 2.257 20 5 HEBDMO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010494 1079098421 /nfs/dbraw/zinc/09/84/21/1079098421.db2.gz CUIDPZFDNGZDMQ-HHARLNAUSA-N 1 1 411.499 2.305 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011293 1079098891 /nfs/dbraw/zinc/09/88/91/1079098891.db2.gz JJCLNPBPNYDGOB-RZQQEMMASA-N 1 1 410.515 2.023 20 5 HEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc(OC)c1OC ZINC001169043593 1079109728 /nfs/dbraw/zinc/10/97/28/1079109728.db2.gz HELFPVBUBJGPSF-USXIJHARSA-N 1 1 421.494 2.352 20 5 HEBDMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023958 1079112478 /nfs/dbraw/zinc/11/24/78/1079112478.db2.gz WDBXPAOGLKYARM-XAUMDUMWSA-N 1 1 404.442 2.108 20 5 HEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525392 1079323155 /nfs/dbraw/zinc/32/31/55/1079323155.db2.gz HBBFSZOHJZUARX-OXQOHEQNSA-N 1 1 410.474 2.351 20 5 HEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525389 1079323402 /nfs/dbraw/zinc/32/34/02/1079323402.db2.gz HBBFSZOHJZUARX-OXJNMPFZSA-N 1 1 410.474 2.351 20 5 HEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC000771511308 1079366444 /nfs/dbraw/zinc/36/64/44/1079366444.db2.gz VBTPJOJLJUDGOY-UHFFFAOYSA-N 1 1 400.420 2.352 20 5 HEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000740552810 1076191529 /nfs/dbraw/zinc/19/15/29/1076191529.db2.gz GGEIUXISBLDECU-UHFFFAOYSA-N 1 1 416.434 2.212 20 5 HEBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759134 1076617714 /nfs/dbraw/zinc/61/77/14/1076617714.db2.gz XOSNVFGBZVGZQG-NSHDSACASA-N 1 1 406.302 2.368 20 5 HEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000065316260 1076696970 /nfs/dbraw/zinc/69/69/70/1076696970.db2.gz QYLTTWVTLYAHNX-UHFFFAOYSA-N 1 1 412.450 2.107 20 5 HEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742303634 1076812578 /nfs/dbraw/zinc/81/25/78/1076812578.db2.gz LEKSFRBAJGMNES-GHMZBOCLSA-N 1 1 406.302 2.461 20 5 HEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000742430076 1076839362 /nfs/dbraw/zinc/83/93/62/1076839362.db2.gz NKRMRRUCXNOJFC-INIZCTEOSA-N 1 1 404.492 2.201 20 5 HEBDMO Cc1cc(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000743778829 1077110861 /nfs/dbraw/zinc/11/08/61/1077110861.db2.gz PBWBPBMSEAYKGA-UHFFFAOYSA-N 1 1 413.478 2.364 20 5 HEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640274 1080085885 /nfs/dbraw/zinc/08/58/85/1080085885.db2.gz GJJWQXGXMQQXOS-DZGCQCFKSA-N 1 1 416.434 2.112 20 5 HEBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787189193 1081055565 /nfs/dbraw/zinc/05/55/65/1081055565.db2.gz LZFZSZVEVPHOIS-ZFWWWQNUSA-N 1 1 402.373 2.276 20 5 HEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532709 1081113396 /nfs/dbraw/zinc/11/33/96/1081113396.db2.gz MCLRPJLQHIOYJA-HNNXBMFYSA-N 1 1 411.300 2.096 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164685087 719715773 /nfs/dbraw/zinc/71/57/73/719715773.db2.gz QWVADBLCDRNUMC-UHFFFAOYSA-N 1 1 402.282 2.477 20 5 HEBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164689853 719740745 /nfs/dbraw/zinc/74/07/45/719740745.db2.gz MAXPLRJXIJRMHG-UHFFFAOYSA-N 1 1 410.478 2.233 20 5 HEBDMO COc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164705439 719886093 /nfs/dbraw/zinc/88/60/93/719886093.db2.gz ZLZHOJNBMWNJJD-UHFFFAOYSA-N 1 1 405.480 2.326 20 5 HEBDMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164705439 719886094 /nfs/dbraw/zinc/88/60/94/719886094.db2.gz ZLZHOJNBMWNJJD-UHFFFAOYSA-N 1 1 405.480 2.326 20 5 HEBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164713973 720139512 /nfs/dbraw/zinc/13/95/12/720139512.db2.gz UODAZXIKBPWDET-GOSISDBHSA-N 1 1 412.494 2.475 20 5 HEBDMO Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164813350 720211068 /nfs/dbraw/zinc/21/10/68/720211068.db2.gz OQUBPAHCGZPGKK-UHFFFAOYSA-N 1 1 421.889 2.154 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164855528 720845692 /nfs/dbraw/zinc/84/56/92/720845692.db2.gz UJTSYYUROOXAKO-SCLBCKFNSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164851496 720847777 /nfs/dbraw/zinc/84/77/77/720847777.db2.gz HUVOZFUJKDATCC-SWLSCSKDSA-N 1 1 420.844 2.362 20 5 HEBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867644 721079335 /nfs/dbraw/zinc/07/93/35/721079335.db2.gz YZSBUUJNQUSQRT-ROUUACIJSA-N 1 1 406.446 2.413 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886238 721383539 /nfs/dbraw/zinc/38/35/39/721383539.db2.gz DRBMNRUWIQHAID-KXBFYZLASA-N 1 1 409.918 2.409 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900546 721523797 /nfs/dbraw/zinc/52/37/97/721523797.db2.gz SDZAIYDUYAOOAC-GOEBONIOSA-N 1 1 403.370 2.379 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904009 721543365 /nfs/dbraw/zinc/54/33/65/721543365.db2.gz FCJSCFCMFFQPNN-ZBFHGGJFSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967793 722075786 /nfs/dbraw/zinc/07/57/86/722075786.db2.gz WSHQFXRXGXUNDF-AOOOYVTPSA-N 1 1 407.780 2.356 20 5 HEBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967793 722075788 /nfs/dbraw/zinc/07/57/88/722075788.db2.gz WSHQFXRXGXUNDF-AOOOYVTPSA-N 1 1 407.780 2.356 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981537 722105021 /nfs/dbraw/zinc/10/50/21/722105021.db2.gz LQELSINJCYRXQQ-HZPDHXFCSA-N 1 1 418.885 2.469 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccc4ccc([N+](=O)[O-])cc42)CC3)CC1 ZINC001165002349 722236449 /nfs/dbraw/zinc/23/64/49/722236449.db2.gz VAQNBSKJXMUMQM-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746430062 1078943334 /nfs/dbraw/zinc/94/33/34/1078943334.db2.gz PRAHIQZCVNRFRP-INIZCTEOSA-N 1 1 420.491 2.463 20 5 HEBDMO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011294 1079098923 /nfs/dbraw/zinc/09/89/23/1079098923.db2.gz JJCLNPBPNYDGOB-YRNRMSPPSA-N 1 1 410.515 2.023 20 5 HEBDMO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011885 1079099093 /nfs/dbraw/zinc/09/90/93/1079099093.db2.gz NDYYPEFYDUKXQK-QUSNUVHPSA-N 1 1 411.499 2.305 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022858 1079112027 /nfs/dbraw/zinc/11/20/27/1079112027.db2.gz NDAPDYKYJIEJMX-ADHGMGHFSA-N 1 1 417.539 2.149 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)C1 ZINC001169022863 1079112065 /nfs/dbraw/zinc/11/20/65/1079112065.db2.gz NDAPDYKYJIEJMX-ZBRFXRBCSA-N 1 1 417.539 2.149 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)n1 ZINC001169105100 1079131001 /nfs/dbraw/zinc/13/10/01/1079131001.db2.gz AFJGINALJWEBRB-FQEVSTJZSA-N 1 1 412.402 2.153 20 5 HEBDMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc12 ZINC001169112038 1079159100 /nfs/dbraw/zinc/15/91/00/1079159100.db2.gz GQHIINDXQHHOEK-NRFANRHFSA-N 1 1 408.414 2.215 20 5 HEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400791 1079323573 /nfs/dbraw/zinc/32/35/73/1079323573.db2.gz ZRXPMEFVKUVHJN-UWVGGRQHSA-N 1 1 403.220 2.364 20 5 HEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000771400791 1079323580 /nfs/dbraw/zinc/32/35/80/1079323580.db2.gz ZRXPMEFVKUVHJN-UWVGGRQHSA-N 1 1 403.220 2.364 20 5 HEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000771509773 1079366428 /nfs/dbraw/zinc/36/64/28/1079366428.db2.gz LFMRQXDYJCFGID-TZMCWYRMSA-N 1 1 407.496 2.466 20 5 HEBDMO Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc([N+](=O)[O-])c1F ZINC000771732770 1079469802 /nfs/dbraw/zinc/46/98/02/1079469802.db2.gz HPMBEITXKJLRPW-UHFFFAOYSA-N 1 1 408.455 2.380 20 5 HEBDMO Cc1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771780386 1079501325 /nfs/dbraw/zinc/50/13/25/1079501325.db2.gz MUCDOEOJYAFUSA-OKILXGFUSA-N 1 1 403.476 2.210 20 5 HEBDMO Cc1cc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771780386 1079501331 /nfs/dbraw/zinc/50/13/31/1079501331.db2.gz MUCDOEOJYAFUSA-OKILXGFUSA-N 1 1 403.476 2.210 20 5 HEBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741200908 1076414866 /nfs/dbraw/zinc/41/48/66/1076414866.db2.gz ABQJOROARFWXIZ-KKSFZXQISA-N 1 1 423.473 2.350 20 5 HEBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741200908 1076414872 /nfs/dbraw/zinc/41/48/72/1076414872.db2.gz ABQJOROARFWXIZ-KKSFZXQISA-N 1 1 423.473 2.350 20 5 HEBDMO CC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000741757237 1076621148 /nfs/dbraw/zinc/62/11/48/1076621148.db2.gz MVEGGSIBVMQRNG-UHFFFAOYSA-N 1 1 406.302 2.368 20 5 HEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742304047 1076812624 /nfs/dbraw/zinc/81/26/24/1076812624.db2.gz MKKOJRFLTCWHRS-PWSUYJOCSA-N 1 1 406.302 2.461 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303887 1076812713 /nfs/dbraw/zinc/81/27/13/1076812713.db2.gz BTZOHHDQPAEQBD-GXFFZTMASA-N 1 1 406.302 2.318 20 5 HEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000742303636 1076812769 /nfs/dbraw/zinc/81/27/69/1076812769.db2.gz LEKSFRBAJGMNES-QWRGUYRKSA-N 1 1 406.302 2.461 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744394324 1077374137 /nfs/dbraw/zinc/37/41/37/1077374137.db2.gz HRMWLIYYLBPIPZ-KZNAEPCWSA-N 1 1 423.514 2.406 20 5 HEBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000766956373 1079521070 /nfs/dbraw/zinc/52/10/70/1079521070.db2.gz IDGPQMLUIZEZBO-YJBOKZPZSA-N 1 1 415.450 2.214 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766949273 1079542563 /nfs/dbraw/zinc/54/25/63/1079542563.db2.gz HKAGOUPZRQQFAX-CRAIPNDOSA-N 1 1 417.466 2.254 20 5 HEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432429 1079861003 /nfs/dbraw/zinc/86/10/03/1079861003.db2.gz FVDVHNNSRIVVOD-FXAWDEMLSA-N 1 1 412.494 2.023 20 5 HEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432453 1079861047 /nfs/dbraw/zinc/86/10/47/1079861047.db2.gz FVDVHNNSRIVVOD-XLIONFOSSA-N 1 1 412.494 2.023 20 5 HEBDMO O=c1c(Cl)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798365 1080268437 /nfs/dbraw/zinc/26/84/37/1080268437.db2.gz DEMARVGMXSMKMM-GJZGRUSLSA-N 1 1 405.842 2.069 20 5 HEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451120 1081083672 /nfs/dbraw/zinc/08/36/72/1081083672.db2.gz JFPCAQYWIYFGID-YPMHNXCESA-N 1 1 418.313 2.462 20 5 HEBDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000769632295 1081149573 /nfs/dbraw/zinc/14/95/73/1081149573.db2.gz SEBKGCOBLABLHM-BTFYYFJDSA-N 1 1 409.487 2.062 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696258 719895385 /nfs/dbraw/zinc/89/53/85/719895385.db2.gz DVARINJWSXAPBR-UHFFFAOYSA-N 1 1 404.492 2.470 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696258 719895388 /nfs/dbraw/zinc/89/53/88/719895388.db2.gz DVARINJWSXAPBR-UHFFFAOYSA-N 1 1 404.492 2.470 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164814463 720141595 /nfs/dbraw/zinc/14/15/95/720141595.db2.gz SXFLPOJQPOPEIN-IIBYNOLFSA-N 1 1 418.494 2.351 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835425 720565850 /nfs/dbraw/zinc/56/58/50/720565850.db2.gz HIIURPLXLTUBGF-PVAVHDDUSA-N 1 1 420.901 2.456 20 5 HEBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739880 720755466 /nfs/dbraw/zinc/75/54/66/720755466.db2.gz JFHJFGTZRNBQMC-ROUUACIJSA-N 1 1 419.445 2.184 20 5 HEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164747495 720835329 /nfs/dbraw/zinc/83/53/29/720835329.db2.gz QXVWMFCLLDEDOU-JFIYKMOQSA-N 1 1 422.493 2.442 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]2C1 ZINC001164852552 720843443 /nfs/dbraw/zinc/84/34/43/720843443.db2.gz KUDUTIXRUFQTGK-OCCSQVGLSA-N 1 1 420.844 2.362 20 5 HEBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765053 721099378 /nfs/dbraw/zinc/09/93/78/721099378.db2.gz IHJNOBVCHZPDGN-NEPJUHHUSA-N 1 1 412.281 2.383 20 5 HEBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871496 721138639 /nfs/dbraw/zinc/13/86/39/721138639.db2.gz DYXAYBAOFINKPQ-USTPLXNYSA-N 1 1 424.505 2.397 20 5 HEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873581 721177795 /nfs/dbraw/zinc/17/77/95/721177795.db2.gz IRZTWLSRZHRXMW-IAGOWNOFSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C\c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769497 721191812 /nfs/dbraw/zinc/19/18/12/721191812.db2.gz MNZVUAZLENQURM-WDSNSIQLSA-N 1 1 411.510 2.214 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164780792 721371880 /nfs/dbraw/zinc/37/18/80/721371880.db2.gz HNYCXQQWJIYTFY-FQEVSTJZSA-N 1 1 416.482 2.417 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164780792 721371886 /nfs/dbraw/zinc/37/18/86/721371886.db2.gz HNYCXQQWJIYTFY-FQEVSTJZSA-N 1 1 416.482 2.417 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893627 721382236 /nfs/dbraw/zinc/38/22/36/721382236.db2.gz WFUALQAHCHXXRM-VQIMIIECSA-N 1 1 409.918 2.409 20 5 HEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932295 721885831 /nfs/dbraw/zinc/88/58/31/721885831.db2.gz IHHHXSVUVHDNCT-QZTJIDSGSA-N 1 1 400.458 2.406 20 5 HEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001164932295 721885832 /nfs/dbraw/zinc/88/58/32/721885832.db2.gz IHHHXSVUVHDNCT-QZTJIDSGSA-N 1 1 400.458 2.406 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758172 1078542952 /nfs/dbraw/zinc/54/29/52/1078542952.db2.gz UBNDXXJSHLQJKU-JKIFEVAISA-N 1 1 404.442 2.030 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758169 1078543196 /nfs/dbraw/zinc/54/31/96/1078543196.db2.gz UBNDXXJSHLQJKU-JJRVBVJISA-N 1 1 404.442 2.030 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746276429 1078842048 /nfs/dbraw/zinc/84/20/48/1078842048.db2.gz XZSKNZOBDDAFIM-HNNXBMFYSA-N 1 1 407.467 2.279 20 5 HEBDMO CCC[C@@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CC[N@H+]1CCOC ZINC000766382339 1078932685 /nfs/dbraw/zinc/93/26/85/1078932685.db2.gz VAWIOFSNYDEZBX-GOSISDBHSA-N 1 1 417.510 2.246 20 5 HEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032958 1079104303 /nfs/dbraw/zinc/10/43/03/1079104303.db2.gz AFOOGHNWDXKVNT-SJLPKXTDSA-N 1 1 418.519 2.377 20 5 HEBDMO O=C1[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030349 1079102932 /nfs/dbraw/zinc/10/29/32/1079102932.db2.gz YYKZCGSIMJDKAW-MDNKFWRPSA-N 1 1 405.470 2.320 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)C1 ZINC001169025279 1079112978 /nfs/dbraw/zinc/11/29/78/1079112978.db2.gz YKQIXNYDNGSVQA-DOIPELPJSA-N 1 1 421.563 2.401 20 5 HEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537846 1079325689 /nfs/dbraw/zinc/32/56/89/1079325689.db2.gz BROMWJBXIYUKLZ-HNAYVOBHSA-N 1 1 421.461 2.211 20 5 HEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771509770 1079365948 /nfs/dbraw/zinc/36/59/48/1079365948.db2.gz LFMRQXDYJCFGID-GXTWGEPZSA-N 1 1 407.496 2.466 20 5 HEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001169942605 1079483725 /nfs/dbraw/zinc/48/37/25/1079483725.db2.gz OMVMCDAOJZLEIO-QGZVFWFLSA-N 1 1 400.435 2.481 20 5 HEBDMO CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000741625818 1076570544 /nfs/dbraw/zinc/57/05/44/1076570544.db2.gz SUQNUMRGSCEXRS-NSHDSACASA-N 1 1 403.220 2.366 20 5 HEBDMO CCC(CC)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000742034790 1076727512 /nfs/dbraw/zinc/72/75/12/1076727512.db2.gz WGBYLDNZFNUOSZ-HXUWFJFHSA-N 1 1 404.511 2.380 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000742277021 1076808469 /nfs/dbraw/zinc/80/84/69/1076808469.db2.gz IVSNCOQXOAIBJJ-STQMWFEESA-N 1 1 404.286 2.262 20 5 HEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000742430077 1076839439 /nfs/dbraw/zinc/83/94/39/1076839439.db2.gz NKRMRRUCXNOJFC-MRXNPFEDSA-N 1 1 404.492 2.201 20 5 HEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801896 1077598420 /nfs/dbraw/zinc/59/84/20/1077598420.db2.gz QHFQZNCRICCPGE-JTQLQIEISA-N 1 1 403.220 2.271 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952064 1079518156 /nfs/dbraw/zinc/51/81/56/1079518156.db2.gz SISYTIVOITUBHO-ZUEVXXBESA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952064 1079518164 /nfs/dbraw/zinc/51/81/64/1079518164.db2.gz SISYTIVOITUBHO-ZUEVXXBESA-N 1 1 417.466 2.252 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958939 1079523442 /nfs/dbraw/zinc/52/34/42/1079523442.db2.gz QZNDRIURCBWYPM-KXBFYZLASA-N 1 1 417.466 2.254 20 5 HEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766958939 1079523448 /nfs/dbraw/zinc/52/34/48/1079523448.db2.gz QZNDRIURCBWYPM-KXBFYZLASA-N 1 1 417.466 2.254 20 5 HEBDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000746548987 1079977735 /nfs/dbraw/zinc/97/77/35/1079977735.db2.gz PVXSOOHQUDDTGO-UHFFFAOYSA-N 1 1 400.410 2.303 20 5 HEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640279 1080085857 /nfs/dbraw/zinc/08/58/57/1080085857.db2.gz GJJWQXGXMQQXOS-UKRRQHHQSA-N 1 1 416.434 2.112 20 5 HEBDMO O=c1c(Cl)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000785798364 1080268282 /nfs/dbraw/zinc/26/82/82/1080268282.db2.gz DEMARVGMXSMKMM-CABCVRRESA-N 1 1 405.842 2.069 20 5 HEBDMO CC(C)CN1C[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCN2C1=O ZINC000785877424 1080272542 /nfs/dbraw/zinc/27/25/42/1080272542.db2.gz PMQNAHZDELEJGC-OAHLLOKOSA-N 1 1 407.446 2.140 20 5 HEBDMO CC(C)CN1C[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCN2C1=O ZINC000785877424 1080272554 /nfs/dbraw/zinc/27/25/54/1080272554.db2.gz PMQNAHZDELEJGC-OAHLLOKOSA-N 1 1 407.446 2.140 20 5 HEBDMO NC(=O)c1ccc(NCCOC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000768798543 1080802819 /nfs/dbraw/zinc/80/28/19/1080802819.db2.gz FNOVMAZWUOMFAH-SFHVURJKSA-N 1 1 412.446 2.313 20 5 HEBDMO NC(=O)c1ccc(NCCOC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000768798543 1080802820 /nfs/dbraw/zinc/80/28/20/1080802820.db2.gz FNOVMAZWUOMFAH-SFHVURJKSA-N 1 1 412.446 2.313 20 5 HEBDMO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786802634 1080836112 /nfs/dbraw/zinc/83/61/12/1080836112.db2.gz YPOKNGADOKBVQB-FQEVSTJZSA-N 1 1 419.503 2.072 20 5 HEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786802634 1080836114 /nfs/dbraw/zinc/83/61/14/1080836114.db2.gz YPOKNGADOKBVQB-FQEVSTJZSA-N 1 1 419.503 2.072 20 5 HEBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164718594 720125560 /nfs/dbraw/zinc/12/55/60/720125560.db2.gz SYPBVOHGEKRLGH-KRWDZBQOSA-N 1 1 412.494 2.475 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724044 720350791 /nfs/dbraw/zinc/35/07/91/720350791.db2.gz IXNPIRJRWWQPJP-OLZOCXBDSA-N 1 1 418.841 2.073 20 5 HEBDMO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164724044 720350795 /nfs/dbraw/zinc/35/07/95/720350795.db2.gz IXNPIRJRWWQPJP-OLZOCXBDSA-N 1 1 418.841 2.073 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164850950 720845647 /nfs/dbraw/zinc/84/56/47/720845647.db2.gz FVIGPFRGBIIBKX-DYVFJYSZSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164851498 720847745 /nfs/dbraw/zinc/84/77/45/720847745.db2.gz HUVOZFUJKDATCC-WFASDCNBSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]2C1 ZINC001164861704 720881278 /nfs/dbraw/zinc/88/12/78/720881278.db2.gz QASFFFHHKOCDCQ-UZLBHIALSA-N 1 1 413.478 2.225 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855576 720930638 /nfs/dbraw/zinc/93/06/38/720930638.db2.gz IROGPBKBNGDOPG-ZDUSSCGKSA-N 1 1 402.455 2.394 20 5 HEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865759 721081009 /nfs/dbraw/zinc/08/10/09/721081009.db2.gz PHARZTXLMPHNGJ-QZTJIDSGSA-N 1 1 406.446 2.413 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894497 721383300 /nfs/dbraw/zinc/38/33/00/721383300.db2.gz YJYZUUZDADESFL-VQIMIIECSA-N 1 1 409.918 2.409 20 5 HEBDMO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886604 721406710 /nfs/dbraw/zinc/40/67/10/721406710.db2.gz KHEIKKROCKOCGX-DYESRHJHSA-N 1 1 419.526 2.072 20 5 HEBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904725 721539390 /nfs/dbraw/zinc/53/93/90/721539390.db2.gz GEKHYKAVSSVXNZ-GDBMZVCRSA-N 1 1 416.409 2.257 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164808427 721541461 /nfs/dbraw/zinc/54/14/61/721541461.db2.gz SDNBBTSIWNAOES-KBAYOESNSA-N 1 1 414.422 2.161 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164808427 721541464 /nfs/dbraw/zinc/54/14/64/721541464.db2.gz SDNBBTSIWNAOES-KBAYOESNSA-N 1 1 414.422 2.161 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904008 721543022 /nfs/dbraw/zinc/54/30/22/721543022.db2.gz FCJSCFCMFFQPNN-HOCLYGCPSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984380 722108023 /nfs/dbraw/zinc/10/80/23/722108023.db2.gz SYIIHAVJTBUPPC-MAUKXSAKSA-N 1 1 414.422 2.020 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)CC1 ZINC001164997724 722232031 /nfs/dbraw/zinc/23/20/31/722232031.db2.gz ULMGBUCJEXGPQI-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997064 722232201 /nfs/dbraw/zinc/23/22/01/722232201.db2.gz NLVBEAMKQFJTFO-UHFFFAOYSA-N 1 1 417.901 2.099 20 5 HEBDMO CC[NH+]1CCN(c2ccc(C(=O)OCCn3c(C)ncc3[N+](=O)[O-])cc2F)CC1 ZINC000770360489 1078830555 /nfs/dbraw/zinc/83/05/55/1078830555.db2.gz LTTHGUGEDMTXDR-UHFFFAOYSA-N 1 1 405.430 2.238 20 5 HEBDMO Cc1cccc(CN2CCO[C@H]3C[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027445 1079102285 /nfs/dbraw/zinc/10/22/85/1079102285.db2.gz PRVUUCNXVILYDF-MHTWAQMVSA-N 1 1 401.507 2.490 20 5 HEBDMO O=C1[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030350 1079102968 /nfs/dbraw/zinc/10/29/68/1079102968.db2.gz YYKZCGSIMJDKAW-NBYUQASBSA-N 1 1 405.470 2.320 20 5 HEBDMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025785 1079113115 /nfs/dbraw/zinc/11/31/15/1079113115.db2.gz UXPCXWLTRHWXCK-CYJAXWMASA-N 1 1 408.524 2.332 20 5 HEBDMO Cn1cc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc([N+](=O)[O-])c1=O ZINC001169515029 1079319542 /nfs/dbraw/zinc/31/95/42/1079319542.db2.gz DRKCYBZCDUWQQU-MAUKXSAKSA-N 1 1 400.435 2.165 20 5 HEBDMO Cc1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771780384 1079501296 /nfs/dbraw/zinc/50/12/96/1079501296.db2.gz MUCDOEOJYAFUSA-KBPBESRZSA-N 1 1 403.476 2.210 20 5 HEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+]1CCCC1 ZINC000741013056 1076328842 /nfs/dbraw/zinc/32/88/42/1076328842.db2.gz BXWRNPJFWJPJKH-IBGZPJMESA-N 1 1 421.450 2.358 20 5 HEBDMO COc1ccc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408425 1077383367 /nfs/dbraw/zinc/38/33/67/1077383367.db2.gz ZWROEGNJOGQRSJ-ZDUSSCGKSA-N 1 1 403.395 2.472 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766962219 1079557936 /nfs/dbraw/zinc/55/79/36/1079557936.db2.gz RYAIWYMTLWFGBD-MAUKXSAKSA-N 1 1 417.466 2.254 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963221 1079559913 /nfs/dbraw/zinc/55/99/13/1079559913.db2.gz ZJXGKTIPNUFMMK-DHSIGJKJSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766963221 1079559929 /nfs/dbraw/zinc/55/99/29/1079559929.db2.gz ZJXGKTIPNUFMMK-DHSIGJKJSA-N 1 1 417.466 2.252 20 5 HEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651950 1080106554 /nfs/dbraw/zinc/10/65/54/1080106554.db2.gz WKOQVQZCHADKQA-UKRRQHHQSA-N 1 1 423.441 2.119 20 5 HEBDMO O=C(C[N@@H+](CCCO)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767903015 1080222357 /nfs/dbraw/zinc/22/23/57/1080222357.db2.gz VQIXFYHHYVVNKO-UHFFFAOYSA-N 1 1 412.490 2.128 20 5 HEBDMO O=C(C[N@H+](CCCO)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767903015 1080222363 /nfs/dbraw/zinc/22/23/63/1080222363.db2.gz VQIXFYHHYVVNKO-UHFFFAOYSA-N 1 1 412.490 2.128 20 5 HEBDMO C[N@@H+](CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccc(F)cc1 ZINC000769035074 1080891134 /nfs/dbraw/zinc/89/11/34/1080891134.db2.gz KPUXKUMEZCGPRG-UHFFFAOYSA-N 1 1 415.377 2.005 20 5 HEBDMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000769077103 1080929485 /nfs/dbraw/zinc/92/94/85/1080929485.db2.gz OMSQRWSDRPWFMO-UHFFFAOYSA-N 1 1 421.498 2.112 20 5 HEBDMO C[C@@]1(C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000769512476 1081104222 /nfs/dbraw/zinc/10/42/22/1081104222.db2.gz FPXRPOQNFMWFBM-INIZCTEOSA-N 1 1 411.256 2.167 20 5 HEBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164700460 719851425 /nfs/dbraw/zinc/85/14/25/719851425.db2.gz HKWJWWFETZITEW-VFNWGFHPSA-N 1 1 414.462 2.376 20 5 HEBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708526 719864964 /nfs/dbraw/zinc/86/49/64/719864964.db2.gz ZRRMQNCLTLIJBV-UTKZUKDTSA-N 1 1 414.462 2.376 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164814462 720142720 /nfs/dbraw/zinc/14/27/20/720142720.db2.gz SXFLPOJQPOPEIN-IERDGZPVSA-N 1 1 418.494 2.351 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001164840222 720551403 /nfs/dbraw/zinc/55/14/03/720551403.db2.gz SGIKNCXKGJTVTQ-PMPSAXMXSA-N 1 1 420.901 2.456 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740060 720661351 /nfs/dbraw/zinc/66/13/51/720661351.db2.gz PLFNSCWXJBVNDM-QWRGUYRKSA-N 1 1 411.249 2.429 20 5 HEBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739879 720755781 /nfs/dbraw/zinc/75/57/81/720755781.db2.gz JFHJFGTZRNBQMC-QZTJIDSGSA-N 1 1 419.445 2.184 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164850949 720845621 /nfs/dbraw/zinc/84/56/21/720845621.db2.gz FVIGPFRGBIIBKX-CXAGYDPISA-N 1 1 421.885 2.365 20 5 HEBDMO COC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164862798 720969946 /nfs/dbraw/zinc/96/99/46/720969946.db2.gz UQQMIOGYVKSTCY-ZDUSSCGKSA-N 1 1 402.455 2.394 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863607 721021592 /nfs/dbraw/zinc/02/15/92/721021592.db2.gz UMJPUZCHPYIXRB-ZDUSSCGKSA-N 1 1 402.455 2.394 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888505 721391268 /nfs/dbraw/zinc/39/12/68/721391268.db2.gz JOJBNFHFHKBQFS-KXBFYZLASA-N 1 1 409.918 2.409 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888193 721417441 /nfs/dbraw/zinc/41/74/41/721417441.db2.gz NLWKFCRAHYASRQ-GHTZIAJQSA-N 1 1 403.527 2.372 20 5 HEBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164789894 721458402 /nfs/dbraw/zinc/45/84/02/721458402.db2.gz YFLYTTQSSAGCTO-SFHVURJKSA-N 1 1 419.526 2.427 20 5 HEBDMO Cc1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164996075 722232001 /nfs/dbraw/zinc/23/20/01/722232001.db2.gz CTCBZECMDSCTQC-UHFFFAOYSA-N 1 1 417.901 2.099 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)CC1 ZINC001164997643 722232835 /nfs/dbraw/zinc/23/28/35/722232835.db2.gz SUTNIWPKSZXVIX-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173635 1078769191 /nfs/dbraw/zinc/76/91/91/1078769191.db2.gz PWIUUSBWMSUCBJ-QGZVFWFLSA-N 1 1 403.527 2.341 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746296048 1078844944 /nfs/dbraw/zinc/84/49/44/1078844944.db2.gz IVKAPIREEWFBTP-YOEHRIQHSA-N 1 1 417.462 2.270 20 5 HEBDMO Cc1cccc(CN2CCO[C@H]3C[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027443 1079102356 /nfs/dbraw/zinc/10/23/56/1079102356.db2.gz PRVUUCNXVILYDF-BQJUDKOJSA-N 1 1 401.507 2.490 20 5 HEBDMO CCN1[C@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024815 1079113173 /nfs/dbraw/zinc/11/31/73/1079113173.db2.gz QYJNSXNUTBHARG-OWSLCNJRSA-N 1 1 423.535 2.368 20 5 HEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001169241631 1079209071 /nfs/dbraw/zinc/20/90/71/1079209071.db2.gz WLQVCXXVLULQFU-KRWDZBQOSA-N 1 1 400.391 2.314 20 5 HEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501686 1079360885 /nfs/dbraw/zinc/36/08/85/1079360885.db2.gz LPQLUTOFUOBUNI-UHFFFAOYSA-N 1 1 405.480 2.364 20 5 HEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655629 1079426237 /nfs/dbraw/zinc/42/62/37/1079426237.db2.gz BQLLUGSLZAKBKM-NSHDSACASA-N 1 1 417.279 2.252 20 5 HEBDMO Cc1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771780388 1079501424 /nfs/dbraw/zinc/50/14/24/1079501424.db2.gz MUCDOEOJYAFUSA-ZIAGYGMSSA-N 1 1 403.476 2.210 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000766247520 1076143400 /nfs/dbraw/zinc/14/34/00/1076143400.db2.gz HQVZMXYJDRIQGZ-UHFFFAOYSA-N 1 1 408.418 2.356 20 5 HEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C ZINC000740882060 1076282502 /nfs/dbraw/zinc/28/25/02/1076282502.db2.gz FVDKNDWPHLLDQH-XLIONFOSSA-N 1 1 403.527 2.048 20 5 HEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000741011671 1076327781 /nfs/dbraw/zinc/32/77/81/1076327781.db2.gz WJKZIYYCSVNWJA-GOSISDBHSA-N 1 1 407.423 2.316 20 5 HEBDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743843014 1077147715 /nfs/dbraw/zinc/14/77/15/1077147715.db2.gz KMMRDHQYZBOHBS-RYQLBKOJSA-N 1 1 423.514 2.264 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771760112 1079514129 /nfs/dbraw/zinc/51/41/29/1079514129.db2.gz WJYZQEZRRFOVOB-UHFFFAOYSA-N 1 1 405.411 2.410 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952062 1079517986 /nfs/dbraw/zinc/51/79/86/1079517986.db2.gz SISYTIVOITUBHO-RFUYNDQBSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766952062 1079517992 /nfs/dbraw/zinc/51/79/92/1079517992.db2.gz SISYTIVOITUBHO-RFUYNDQBSA-N 1 1 417.466 2.252 20 5 HEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000768805256 1080782114 /nfs/dbraw/zinc/78/21/14/1080782114.db2.gz NIWOWTQMPVQOEF-UHFFFAOYSA-N 1 1 410.521 2.147 20 5 HEBDMO C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CCO1 ZINC000768808991 1080786731 /nfs/dbraw/zinc/78/67/31/1080786731.db2.gz DXCAWUKSBKVMIV-ZDUSSCGKSA-N 1 1 411.505 2.356 20 5 HEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CCO1 ZINC000768808991 1080786742 /nfs/dbraw/zinc/78/67/42/1080786742.db2.gz DXCAWUKSBKVMIV-ZDUSSCGKSA-N 1 1 411.505 2.356 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nc1 ZINC000769463785 1081088357 /nfs/dbraw/zinc/08/83/57/1081088357.db2.gz QKSQIPXDPGFJKR-CYBMUJFWSA-N 1 1 401.379 2.356 20 5 HEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nc1 ZINC000769463785 1081088364 /nfs/dbraw/zinc/08/83/64/1081088364.db2.gz QKSQIPXDPGFJKR-CYBMUJFWSA-N 1 1 401.379 2.356 20 5 HEBDMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1[N+](=O)[O-] ZINC001164820077 720191731 /nfs/dbraw/zinc/19/17/31/720191731.db2.gz ZJWOVKQTGQUWEK-IIBYNOLFSA-N 1 1 418.494 2.351 20 5 HEBDMO COc1cc(C)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164811987 720219905 /nfs/dbraw/zinc/21/99/05/720219905.db2.gz CEZJNFVZJJORBQ-UHFFFAOYSA-N 1 1 416.482 2.114 20 5 HEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164747499 720836086 /nfs/dbraw/zinc/83/60/86/720836086.db2.gz QXVWMFCLLDEDOU-SOLBZPMBSA-N 1 1 422.493 2.442 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]2C1 ZINC001164865061 720873538 /nfs/dbraw/zinc/87/35/38/720873538.db2.gz YCWVMJIXUDPLIM-XLIONFOSSA-N 1 1 413.478 2.225 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164863024 720891432 /nfs/dbraw/zinc/89/14/32/720891432.db2.gz SJBJNVBFFSDPLF-GUYCJALGSA-N 1 1 421.885 2.365 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164863027 720891546 /nfs/dbraw/zinc/89/15/46/720891546.db2.gz SJBJNVBFFSDPLF-SUMWQHHRSA-N 1 1 421.885 2.365 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870069 721046538 /nfs/dbraw/zinc/04/65/38/721046538.db2.gz VPWUKBCSQXRTDT-GJZGRUSLSA-N 1 1 404.858 2.221 20 5 HEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868344 721062712 /nfs/dbraw/zinc/06/27/12/721062712.db2.gz NZKJDMSGONYHIR-MSOLQXFVSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871490 721137909 /nfs/dbraw/zinc/13/79/09/721137909.db2.gz DYXAYBAOFINKPQ-CNIPWFDFSA-N 1 1 424.505 2.397 20 5 HEBDMO COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886614 721406767 /nfs/dbraw/zinc/40/67/67/721406767.db2.gz KHEIKKROCKOCGX-UWJYYQICSA-N 1 1 419.526 2.072 20 5 HEBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904726 721539142 /nfs/dbraw/zinc/53/91/42/721539142.db2.gz GEKHYKAVSSVXNZ-GOEBONIOSA-N 1 1 416.409 2.257 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907587 721566749 /nfs/dbraw/zinc/56/67/49/721566749.db2.gz OTSVKSGYKGXQMF-GOEBONIOSA-N 1 1 416.409 2.257 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908439 721584299 /nfs/dbraw/zinc/58/42/99/721584299.db2.gz ZGERYYGNYOWJAO-SFHVURJKSA-N 1 1 405.405 2.361 20 5 HEBDMO Cc1cnc2n1CCN(C)C21CCN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001164917285 721818898 /nfs/dbraw/zinc/81/88/98/721818898.db2.gz GFZDDRJRAPXSBY-YVMONPNESA-N 1 1 411.510 2.468 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961479 722057584 /nfs/dbraw/zinc/05/75/84/722057584.db2.gz KSOKWSDZLAONQC-UHFFFAOYSA-N 1 1 413.478 2.051 20 5 HEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746343483 1078867165 /nfs/dbraw/zinc/86/71/65/1078867165.db2.gz DWZVYDXTUVISSD-KRWDZBQOSA-N 1 1 402.495 2.235 20 5 HEBDMO COCC[N@@H+](C)CCCC1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000766372581 1078939371 /nfs/dbraw/zinc/93/93/71/1078939371.db2.gz CZSRCSDHKPUVPB-UHFFFAOYSA-N 1 1 418.494 2.219 20 5 HEBDMO COc1ccc(CN2CCO[C@H]3C[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026676 1079114100 /nfs/dbraw/zinc/11/41/00/1079114100.db2.gz YNLQTNTYKCYIKJ-ZSXPUABSSA-N 1 1 417.506 2.190 20 5 HEBDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771756890 1079487760 /nfs/dbraw/zinc/48/77/60/1079487760.db2.gz SSLFFINQAIORIL-GOEBONIOSA-N 1 1 417.503 2.458 20 5 HEBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741801280 1076641542 /nfs/dbraw/zinc/64/15/42/1076641542.db2.gz CWFQIBIEJWLWGT-UHFFFAOYSA-N 1 1 402.495 2.136 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000742275234 1076808142 /nfs/dbraw/zinc/80/81/42/1076808142.db2.gz LGRIDUGLTQPUMY-JTQLQIEISA-N 1 1 404.286 2.120 20 5 HEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742279494 1076809622 /nfs/dbraw/zinc/80/96/22/1076809622.db2.gz WHJNXPVQHAJDQL-UHFFFAOYSA-N 1 1 403.258 2.231 20 5 HEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345892 1076831838 /nfs/dbraw/zinc/83/18/38/1076831838.db2.gz ATWWPSSIFUGROO-LLVKDONJSA-N 1 1 406.302 2.320 20 5 HEBDMO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407711 1077382604 /nfs/dbraw/zinc/38/26/04/1077382604.db2.gz PTNQPSLOOBFKNN-AWEZNQCLSA-N 1 1 400.395 2.413 20 5 HEBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](CCO)c1ccccc1 ZINC000744411758 1077384423 /nfs/dbraw/zinc/38/44/23/1077384423.db2.gz IYAXIPJSZYIUQL-OAQYLSRUSA-N 1 1 412.490 2.299 20 5 HEBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](CCO)c1ccccc1 ZINC000744411758 1077384431 /nfs/dbraw/zinc/38/44/31/1077384431.db2.gz IYAXIPJSZYIUQL-OAQYLSRUSA-N 1 1 412.490 2.299 20 5 HEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])CC1=O ZINC000785651948 1080106978 /nfs/dbraw/zinc/10/69/78/1080106978.db2.gz WKOQVQZCHADKQA-HIFRSBDPSA-N 1 1 423.441 2.119 20 5 HEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000768893088 1080836157 /nfs/dbraw/zinc/83/61/57/1080836157.db2.gz WUEHJMQDQSXXTI-HNNXBMFYSA-N 1 1 411.505 2.092 20 5 HEBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787189191 1081055774 /nfs/dbraw/zinc/05/57/74/1081055774.db2.gz LZFZSZVEVPHOIS-UKRRQHHQSA-N 1 1 402.373 2.276 20 5 HEBDMO COc1cccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000769576587 1081132486 /nfs/dbraw/zinc/13/24/86/1081132486.db2.gz JBQSRVXNVAQJOC-UHFFFAOYSA-N 1 1 413.430 2.105 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833723 720545631 /nfs/dbraw/zinc/54/56/31/720545631.db2.gz BGJLHNMDDPCNCJ-YESZJQIVSA-N 1 1 415.498 2.276 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840219 720551096 /nfs/dbraw/zinc/55/10/96/720551096.db2.gz SGIKNCXKGJTVTQ-HRCADAONSA-N 1 1 420.901 2.456 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835423 720566793 /nfs/dbraw/zinc/56/67/93/720566793.db2.gz HIIURPLXLTUBGF-HYVNUMGLSA-N 1 1 420.901 2.456 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745459 720811214 /nfs/dbraw/zinc/81/12/14/720811214.db2.gz KLASPUIMARHDRG-RRFJBIMHSA-N 1 1 418.889 2.009 20 5 HEBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164864639 721019867 /nfs/dbraw/zinc/01/98/67/721019867.db2.gz YSCWZGWNCBPSJR-CYBMUJFWSA-N 1 1 416.486 2.270 20 5 HEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868345 721062414 /nfs/dbraw/zinc/06/24/14/721062414.db2.gz NZKJDMSGONYHIR-QZTJIDSGSA-N 1 1 406.446 2.413 20 5 HEBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871492 721138843 /nfs/dbraw/zinc/13/88/43/721138843.db2.gz DYXAYBAOFINKPQ-IGLJKTCPSA-N 1 1 424.505 2.397 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894492 721383417 /nfs/dbraw/zinc/38/34/17/721383417.db2.gz YJYZUUZDADESFL-APWZRJJASA-N 1 1 409.918 2.409 20 5 HEBDMO CC(C)N(C)Cc1nnc2n1CCCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165009517 721712718 /nfs/dbraw/zinc/71/27/18/721712718.db2.gz UQSJWLXEUMIDIM-JXMROGBWSA-N 1 1 414.514 2.364 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164995078 722214033 /nfs/dbraw/zinc/21/40/33/722214033.db2.gz GCFFGHLXEUTTCN-OAQYLSRUSA-N 1 1 412.469 2.456 20 5 HEBDMO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011884 1079099009 /nfs/dbraw/zinc/09/90/09/1079099009.db2.gz NDYYPEFYDUKXQK-JSRQGNBESA-N 1 1 411.499 2.305 20 5 HEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032959 1079104249 /nfs/dbraw/zinc/10/42/49/1079104249.db2.gz AFOOGHNWDXKVNT-WMZOPIPTSA-N 1 1 418.519 2.377 20 5 HEBDMO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019267 1079111121 /nfs/dbraw/zinc/11/11/21/1079111121.db2.gz HCFUUUVKUNSSBL-WBVHZDCISA-N 1 1 402.495 2.314 20 5 HEBDMO O=C1C[C@]2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026190 1079113560 /nfs/dbraw/zinc/11/35/60/1079113560.db2.gz VRKGTHAGTLIKNG-XFQAVAEZSA-N 1 1 401.463 2.332 20 5 HEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001169942602 1079483619 /nfs/dbraw/zinc/48/36/19/1079483619.db2.gz OMVMCDAOJZLEIO-KRWDZBQOSA-N 1 1 400.435 2.481 20 5 HEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327168 1075991047 /nfs/dbraw/zinc/99/10/47/1075991047.db2.gz VRCPQRDDEVDZNR-UHFFFAOYSA-N 1 1 408.499 2.458 20 5 HEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000738513367 1075998924 /nfs/dbraw/zinc/99/89/24/1075998924.db2.gz KJQUEVAAIMHVFW-GASCZTMLSA-N 1 1 419.482 2.442 20 5 HEBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741577226 1076550822 /nfs/dbraw/zinc/55/08/22/1076550822.db2.gz JZGOCCZEMQEMGZ-QGZVFWFLSA-N 1 1 422.489 2.271 20 5 HEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304424 1076813100 /nfs/dbraw/zinc/81/31/00/1076813100.db2.gz HBJAGMAPOHVGRI-GWCFXTLKSA-N 1 1 406.302 2.318 20 5 HEBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000742393067 1076833532 /nfs/dbraw/zinc/83/35/32/1076833532.db2.gz YFNAYNVLNRVWJZ-UHFFFAOYSA-N 1 1 411.300 2.348 20 5 HEBDMO CCOc1cc(COC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645500 1080093704 /nfs/dbraw/zinc/09/37/04/1080093704.db2.gz RNPTYQNVYPPEMV-DLBZAZTESA-N 1 1 419.478 2.370 20 5 HEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000768893090 1080836195 /nfs/dbraw/zinc/83/61/95/1080836195.db2.gz WUEHJMQDQSXXTI-OAHLLOKOSA-N 1 1 411.505 2.092 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001164814793 720220420 /nfs/dbraw/zinc/22/04/20/720220420.db2.gz ZFTXADCOFNMORQ-UHFFFAOYSA-N 1 1 423.477 2.345 20 5 HEBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164841111 720524277 /nfs/dbraw/zinc/52/42/77/720524277.db2.gz XNMKKEGLVWAFOG-XIRDDKMYSA-N 1 1 415.454 2.472 20 5 HEBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833715 720545123 /nfs/dbraw/zinc/54/51/23/720545123.db2.gz BGJLHNMDDPCNCJ-BRWVUGGUSA-N 1 1 415.498 2.276 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841424 720568806 /nfs/dbraw/zinc/56/88/06/720568806.db2.gz VLHGHGXYIMCFIX-ZHALLVOQSA-N 1 1 400.483 2.111 20 5 HEBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740035 720839916 /nfs/dbraw/zinc/83/99/16/720839916.db2.gz BPJKQWVKHSAHCF-LZLYRXPVSA-N 1 1 422.493 2.442 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]2C1 ZINC001164865062 720873369 /nfs/dbraw/zinc/87/33/69/720873369.db2.gz YCWVMJIXUDPLIM-YLJYHZDGSA-N 1 1 413.478 2.225 20 5 HEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765060 721098647 /nfs/dbraw/zinc/09/86/47/721098647.db2.gz IHJNOBVCHZPDGN-NWDGAFQWSA-N 1 1 412.281 2.383 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164893566 721382440 /nfs/dbraw/zinc/38/24/40/721382440.db2.gz VEVLZQFEIDCVHP-BEFAXECRSA-N 1 1 424.933 2.112 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889822 721392255 /nfs/dbraw/zinc/39/22/55/721392255.db2.gz MNMVTBVZEWURNW-BEFAXECRSA-N 1 1 424.933 2.112 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905268 721536891 /nfs/dbraw/zinc/53/68/91/721536891.db2.gz HZTGWXGCADELIK-DZGCQCFKSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905268 721536895 /nfs/dbraw/zinc/53/68/95/721536895.db2.gz HZTGWXGCADELIK-DZGCQCFKSA-N 1 1 408.817 2.363 20 5 HEBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165023460 721837992 /nfs/dbraw/zinc/83/79/92/721837992.db2.gz YLMBCVPKQVBCGF-UHFFFAOYSA-N 1 1 402.451 2.346 20 5 HEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000769883583 1078642154 /nfs/dbraw/zinc/64/21/54/1078642154.db2.gz WQFKPPLIWJULMB-KRWDZBQOSA-N 1 1 421.494 2.150 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000746463939 1079011440 /nfs/dbraw/zinc/01/14/40/1079011440.db2.gz QGWQRYXTCQKSNV-UHFFFAOYSA-N 1 1 421.523 2.431 20 5 HEBDMO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010502 1079098615 /nfs/dbraw/zinc/09/86/15/1079098615.db2.gz CUIDPZFDNGZDMQ-UUAJXVIYSA-N 1 1 411.499 2.305 20 5 HEBDMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022733 1079112018 /nfs/dbraw/zinc/11/20/18/1079112018.db2.gz SIMBYHPYETWRSR-RHSMWYFYSA-N 1 1 413.478 2.115 20 5 HEBDMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022734 1079112036 /nfs/dbraw/zinc/11/20/36/1079112036.db2.gz SIMBYHPYETWRSR-WMLDXEAASA-N 1 1 413.478 2.115 20 5 HEBDMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022735 1079112101 /nfs/dbraw/zinc/11/21/01/1079112101.db2.gz SIMBYHPYETWRSR-YOEHRIQHSA-N 1 1 413.478 2.115 20 5 HEBDMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022732 1079112116 /nfs/dbraw/zinc/11/21/16/1079112116.db2.gz SIMBYHPYETWRSR-PBHICJAKSA-N 1 1 413.478 2.115 20 5 HEBDMO O=C1C[C@]2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026184 1079113534 /nfs/dbraw/zinc/11/35/34/1079113534.db2.gz VRKGTHAGTLIKNG-MRUHUIDDSA-N 1 1 401.463 2.332 20 5 HEBDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000766610648 1079164552 /nfs/dbraw/zinc/16/45/52/1079164552.db2.gz YBGKQHOPDJNIRC-UHFFFAOYSA-N 1 1 403.826 2.239 20 5 HEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501403 1079361221 /nfs/dbraw/zinc/36/12/21/1079361221.db2.gz KCKGIJBGFVVQBY-UHFFFAOYSA-N 1 1 413.459 2.362 20 5 HEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329183 1075982423 /nfs/dbraw/zinc/98/24/23/1075982423.db2.gz MFSUMSCQCRAVCN-UHFFFAOYSA-N 1 1 408.499 2.458 20 5 HEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000740550703 1076191533 /nfs/dbraw/zinc/19/15/33/1076191533.db2.gz SSLXXPOZYXXZPN-UHFFFAOYSA-N 1 1 416.434 2.212 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741016497 1076337153 /nfs/dbraw/zinc/33/71/53/1076337153.db2.gz IFTNPNKUSGOBLQ-BBWFWOEESA-N 1 1 418.494 2.048 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741016497 1076337158 /nfs/dbraw/zinc/33/71/58/1076337158.db2.gz IFTNPNKUSGOBLQ-BBWFWOEESA-N 1 1 418.494 2.048 20 5 HEBDMO C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+]1[C@H](C)CC[C@H]1C ZINC000741023260 1076340655 /nfs/dbraw/zinc/34/06/55/1076340655.db2.gz UQMNWWZPAPRLAL-MCIONIFRSA-N 1 1 421.450 2.499 20 5 HEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000742011202 1076707062 /nfs/dbraw/zinc/70/70/62/1076707062.db2.gz KRBFXRHQTZUPRM-UHFFFAOYSA-N 1 1 403.527 2.341 20 5 HEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742347895 1076832437 /nfs/dbraw/zinc/83/24/37/1076832437.db2.gz ZHMOETBJSUICRO-NSHDSACASA-N 1 1 406.302 2.320 20 5 HEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594678 1077077773 /nfs/dbraw/zinc/07/77/73/1077077773.db2.gz VYPPTQWLTYGDLD-APWZRJJASA-N 1 1 404.467 2.011 20 5 HEBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000743862712 1077185203 /nfs/dbraw/zinc/18/52/03/1077185203.db2.gz IBJVNCGOJCTIHK-UHFFFAOYSA-N 1 1 419.478 2.240 20 5 HEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956717 1079520249 /nfs/dbraw/zinc/52/02/49/1079520249.db2.gz VZNITNRZDNLSDB-BEFAXECRSA-N 1 1 417.466 2.254 20 5 HEBDMO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000767637907 1080008844 /nfs/dbraw/zinc/00/88/44/1080008844.db2.gz PVNBNUGNAFSYRD-UHFFFAOYSA-N 1 1 414.484 2.173 20 5 HEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000785640277 1080085781 /nfs/dbraw/zinc/08/57/81/1080085781.db2.gz GJJWQXGXMQQXOS-HIFRSBDPSA-N 1 1 416.434 2.112 20 5 HEBDMO C[N@H+]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)C1 ZINC000746493266 1080093494 /nfs/dbraw/zinc/09/34/94/1080093494.db2.gz SIPQKPCXSUYICI-UHFFFAOYSA-N 1 1 415.538 2.194 20 5 HEBDMO CN1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)C1 ZINC000746493266 1080093503 /nfs/dbraw/zinc/09/35/03/1080093503.db2.gz SIPQKPCXSUYICI-UHFFFAOYSA-N 1 1 415.538 2.194 20 5 HEBDMO CN1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)C1 ZINC000746493266 1080093510 /nfs/dbraw/zinc/09/35/10/1080093510.db2.gz SIPQKPCXSUYICI-UHFFFAOYSA-N 1 1 415.538 2.194 20 5 HEBDMO CCOc1cc(COC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)ccc1[N+](=O)[O-] ZINC000785645512 1080093927 /nfs/dbraw/zinc/09/39/27/1080093927.db2.gz RNPTYQNVYPPEMV-SJORKVTESA-N 1 1 419.478 2.370 20 5 HEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785736138 1080208875 /nfs/dbraw/zinc/20/88/75/1080208875.db2.gz PGAUVRMNNWNEFW-CHWSQXEVSA-N 1 1 407.423 2.111 20 5 HEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785862280 1080286426 /nfs/dbraw/zinc/28/64/26/1080286426.db2.gz YSDCFYLVQOOPRT-LBPRGKRZSA-N 1 1 418.410 2.372 20 5 HEBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787025782 1080954743 /nfs/dbraw/zinc/95/47/43/1080954743.db2.gz IMTRAXXMDKQMFM-UHFFFAOYSA-N 1 1 410.438 2.227 20 5 HEBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164698943 719878679 /nfs/dbraw/zinc/87/86/79/719878679.db2.gz GHWMMLWFSGACQS-UWJYYQICSA-N 1 1 414.462 2.376 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867754 721061142 /nfs/dbraw/zinc/06/11/42/721061142.db2.gz KCXFMFASWXKDEN-CABCVRRESA-N 1 1 404.858 2.221 20 5 HEBDMO COc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767232 721137920 /nfs/dbraw/zinc/13/79/20/721137920.db2.gz LYUWKNAHIBNLPB-HOTGVXAUSA-N 1 1 423.477 2.238 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890765 721424535 /nfs/dbraw/zinc/42/45/35/721424535.db2.gz FGUFFNBEXYQONY-IERDGZPVSA-N 1 1 414.510 2.237 20 5 HEBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890766 721425433 /nfs/dbraw/zinc/42/54/33/721425433.db2.gz FGUFFNBEXYQONY-IIBYNOLFSA-N 1 1 414.510 2.237 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900543 721523625 /nfs/dbraw/zinc/52/36/25/721523625.db2.gz SDZAIYDUYAOOAC-GDBMZVCRSA-N 1 1 403.370 2.379 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164808425 721541686 /nfs/dbraw/zinc/54/16/86/721541686.db2.gz SDNBBTSIWNAOES-CGTJXYLNSA-N 1 1 414.422 2.161 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164808425 721541689 /nfs/dbraw/zinc/54/16/89/721541689.db2.gz SDNBBTSIWNAOES-CGTJXYLNSA-N 1 1 414.422 2.161 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984382 722107731 /nfs/dbraw/zinc/10/77/31/722107731.db2.gz SYIIHAVJTBUPPC-YJBOKZPZSA-N 1 1 414.422 2.020 20 5 HEBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)CC1 ZINC001165001942 722240252 /nfs/dbraw/zinc/24/02/52/722240252.db2.gz PIBPZVCOGWSOPR-UHFFFAOYSA-N 1 1 419.489 2.290 20 5 HEBDMO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169019266 1079111158 /nfs/dbraw/zinc/11/11/58/1079111158.db2.gz HCFUUUVKUNSSBL-RDJZCZTQSA-N 1 1 402.495 2.314 20 5 HEBDMO CCN1[C@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169024814 1079113079 /nfs/dbraw/zinc/11/30/79/1079113079.db2.gz QYJNSXNUTBHARG-MHORFTMASA-N 1 1 423.535 2.368 20 5 HEBDMO COc1ccc(CN2CCO[C@H]3C[N@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026674 1079114060 /nfs/dbraw/zinc/11/40/60/1079114060.db2.gz YNLQTNTYKCYIKJ-MMKMLUHNSA-N 1 1 417.506 2.190 20 5 HEBDMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001169106527 1079156702 /nfs/dbraw/zinc/15/67/02/1079156702.db2.gz XFVGDDYZRUJBGJ-GOSISDBHSA-N 1 1 404.810 2.258 20 5 HEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525386 1079323200 /nfs/dbraw/zinc/32/32/00/1079323200.db2.gz HBBFSZOHJZUARX-JXFKEZNVSA-N 1 1 410.474 2.351 20 5 HEBDMO C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000771511282 1079366468 /nfs/dbraw/zinc/36/64/68/1079366468.db2.gz TVYAOIDLBIUMFN-LBPRGKRZSA-N 1 1 405.480 2.363 20 5 HEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000771503597 1079364261 /nfs/dbraw/zinc/36/42/61/1079364261.db2.gz NXTNWMDUVSIKMA-SCRDCRAPSA-N 1 1 405.480 2.313 20 5 HEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000771503597 1079364265 /nfs/dbraw/zinc/36/42/65/1079364265.db2.gz NXTNWMDUVSIKMA-SCRDCRAPSA-N 1 1 405.480 2.313 20 5 HEBDMO NC(=O)c1cc(OC2CC[NH+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)ccn1 ZINC000771619410 1079401538 /nfs/dbraw/zinc/40/15/38/1079401538.db2.gz JGLTZTOXLFAWFA-UHFFFAOYSA-N 1 1 422.445 2.453 20 5 HEBDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000771756891 1079487945 /nfs/dbraw/zinc/48/79/45/1079487945.db2.gz SSLFFINQAIORIL-HOCLYGCPSA-N 1 1 417.503 2.458 20 5 HEBDMO O=C1CN(CN2CCC[N@H+](C3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000738269491 1075977752 /nfs/dbraw/zinc/97/77/52/1075977752.db2.gz NOLUNONQAJEPNM-UHFFFAOYSA-N 1 1 401.467 2.271 20 5 HEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCCC1 ZINC000741011673 1076327511 /nfs/dbraw/zinc/32/75/11/1076327511.db2.gz WJKZIYYCSVNWJA-SFHVURJKSA-N 1 1 407.423 2.316 20 5 HEBDMO C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741023259 1076340420 /nfs/dbraw/zinc/34/04/20/1076340420.db2.gz UQMNWWZPAPRLAL-HZSPNIEDSA-N 1 1 421.450 2.499 20 5 HEBDMO C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741023259 1076340428 /nfs/dbraw/zinc/34/04/28/1076340428.db2.gz UQMNWWZPAPRLAL-HZSPNIEDSA-N 1 1 421.450 2.499 20 5 HEBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741577222 1076550776 /nfs/dbraw/zinc/55/07/76/1076550776.db2.gz JZGOCCZEMQEMGZ-KRWDZBQOSA-N 1 1 422.489 2.271 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303891 1076812917 /nfs/dbraw/zinc/81/29/17/1076812917.db2.gz BTZOHHDQPAEQBD-ZWNOBZJWSA-N 1 1 406.302 2.318 20 5 HEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304427 1076813086 /nfs/dbraw/zinc/81/30/86/1076813086.db2.gz HBJAGMAPOHVGRI-ZWNOBZJWSA-N 1 1 406.302 2.318 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000742293440 1076819878 /nfs/dbraw/zinc/81/98/78/1076819878.db2.gz HGYQMCJILCAHQV-LLVKDONJSA-N 1 1 404.286 2.120 20 5 HEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742347894 1076832285 /nfs/dbraw/zinc/83/22/85/1076832285.db2.gz ZHMOETBJSUICRO-LLVKDONJSA-N 1 1 406.302 2.320 20 5 HEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594681 1077077809 /nfs/dbraw/zinc/07/78/09/1077077809.db2.gz VYPPTQWLTYGDLD-LPHOPBHVSA-N 1 1 404.467 2.011 20 5 HEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000766956727 1079520132 /nfs/dbraw/zinc/52/01/32/1079520132.db2.gz VZNITNRZDNLSDB-KXBFYZLASA-N 1 1 417.466 2.254 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766963223 1079559549 /nfs/dbraw/zinc/55/95/49/1079559549.db2.gz ZJXGKTIPNUFMMK-JOQOYGCGSA-N 1 1 417.466 2.252 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766963223 1079559563 /nfs/dbraw/zinc/55/95/63/1079559563.db2.gz ZJXGKTIPNUFMMK-JOQOYGCGSA-N 1 1 417.466 2.252 20 5 HEBDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)CC1 ZINC000746548283 1079967516 /nfs/dbraw/zinc/96/75/16/1079967516.db2.gz KOXBNZRLJTXPPP-UHFFFAOYSA-N 1 1 418.400 2.442 20 5 HEBDMO O=C([C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000768235015 1080434944 /nfs/dbraw/zinc/43/49/44/1080434944.db2.gz VNUDNSOSQBUENS-CYBMUJFWSA-N 1 1 412.284 2.428 20 5 HEBDMO O=C([C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000768235015 1080434957 /nfs/dbraw/zinc/43/49/57/1080434957.db2.gz VNUDNSOSQBUENS-CYBMUJFWSA-N 1 1 412.284 2.428 20 5 HEBDMO C[N@@H+](CCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000769068434 1080922664 /nfs/dbraw/zinc/92/26/64/1080922664.db2.gz FIKPOHCKXVDFTQ-UHFFFAOYSA-N 1 1 403.366 2.317 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451074 1081083522 /nfs/dbraw/zinc/08/35/22/1081083522.db2.gz JFPCAQYWIYFGID-DGCLKSJQSA-N 1 1 418.313 2.462 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001164814574 720215040 /nfs/dbraw/zinc/21/50/40/720215040.db2.gz UKFNRBKLSHWOEJ-UHFFFAOYSA-N 1 1 423.477 2.345 20 5 HEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738533 720688415 /nfs/dbraw/zinc/68/84/15/720688415.db2.gz KJSFIVZQHZIYOX-QWRGUYRKSA-N 1 1 411.249 2.429 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745457 720811084 /nfs/dbraw/zinc/81/10/84/720811084.db2.gz KLASPUIMARHDRG-QLFBSQMISA-N 1 1 418.889 2.009 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1 ZINC001164851492 720847753 /nfs/dbraw/zinc/84/77/53/720847753.db2.gz HUVOZFUJKDATCC-DOMZBBRYSA-N 1 1 420.844 2.362 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870075 721046927 /nfs/dbraw/zinc/04/69/27/721046927.db2.gz VPWUKBCSQXRTDT-LSDHHAIUSA-N 1 1 404.858 2.221 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867756 721061300 /nfs/dbraw/zinc/06/13/00/721061300.db2.gz KCXFMFASWXKDEN-HUUCEWRRSA-N 1 1 404.858 2.221 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867755 721061615 /nfs/dbraw/zinc/06/16/15/721061615.db2.gz KCXFMFASWXKDEN-GJZGRUSLSA-N 1 1 404.858 2.221 20 5 HEBDMO CC(C)Oc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164764071 721213955 /nfs/dbraw/zinc/21/39/55/721213955.db2.gz GCYZUQLJAPOTRJ-IRXDYDNUSA-N 1 1 400.483 2.469 20 5 HEBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164786774 721470922 /nfs/dbraw/zinc/47/09/22/721470922.db2.gz CEKXHPNPVWSNRL-SFHVURJKSA-N 1 1 419.526 2.427 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900548 721523886 /nfs/dbraw/zinc/52/38/86/721523886.db2.gz SDZAIYDUYAOOAC-HOCLYGCPSA-N 1 1 403.370 2.379 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC001164798146 721557744 /nfs/dbraw/zinc/55/77/44/721557744.db2.gz AKCMBKZURSRYLO-JFIYKMOQSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC001164798146 721557747 /nfs/dbraw/zinc/55/77/47/721557747.db2.gz AKCMBKZURSRYLO-JFIYKMOQSA-N 1 1 419.869 2.145 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984379 722107957 /nfs/dbraw/zinc/10/79/57/722107957.db2.gz SYIIHAVJTBUPPC-CRAIPNDOSA-N 1 1 414.422 2.020 20 5 HEBDMO C[NH+]1CCN([C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2cccs2)CC1 ZINC000746231983 1078822608 /nfs/dbraw/zinc/82/26/08/1078822608.db2.gz YPAHIMIGVWNDCN-QGZVFWFLSA-N 1 1 422.482 2.279 20 5 HEBDMO COc1cc(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792079 1078996629 /nfs/dbraw/zinc/99/66/29/1078996629.db2.gz QFPFRUMRRLJTCG-NRFANRHFSA-N 1 1 417.437 2.452 20 5 HEBDMO COc1ccc(NC(=O)CC[NH+]2CCN(C3=NCC(C)(C)S3)CC2)c([N+](=O)[O-])c1 ZINC000746461285 1079013070 /nfs/dbraw/zinc/01/30/70/1079013070.db2.gz YCGGTMQMCPBGNU-UHFFFAOYSA-N 1 1 421.523 2.431 20 5 HEBDMO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169010499 1079098410 /nfs/dbraw/zinc/09/84/10/1079098410.db2.gz CUIDPZFDNGZDMQ-UTSKFRMZSA-N 1 1 411.499 2.305 20 5 HEBDMO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021497 1079111666 /nfs/dbraw/zinc/11/16/66/1079111666.db2.gz OIBNFFXHHJUIOO-WHEVEAIOSA-N 1 1 407.536 2.332 20 5 HEBDMO COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048719 1079115534 /nfs/dbraw/zinc/11/55/34/1079115534.db2.gz AWDHBWUHSRRASI-ROYATCLZSA-N 1 1 411.499 2.306 20 5 HEBDMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1)c1cscn1 ZINC001169025788 1079113548 /nfs/dbraw/zinc/11/35/48/1079113548.db2.gz UXPCXWLTRHWXCK-PASDCYSWSA-N 1 1 408.524 2.332 20 5 HEBDMO Cc1cc(N2CCC(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000771507478 1079365052 /nfs/dbraw/zinc/36/50/52/1079365052.db2.gz CKCIOMPETARQRT-UHFFFAOYSA-N 1 1 413.463 2.405 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000741751982 1076619564 /nfs/dbraw/zinc/61/95/64/1076619564.db2.gz VDPPHNPZWWMTCX-UHFFFAOYSA-N 1 1 424.885 2.169 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000741751982 1076619567 /nfs/dbraw/zinc/61/95/67/1076619567.db2.gz VDPPHNPZWWMTCX-UHFFFAOYSA-N 1 1 424.885 2.169 20 5 HEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742304045 1076812555 /nfs/dbraw/zinc/81/25/55/1076812555.db2.gz MKKOJRFLTCWHRS-CMPLNLGQSA-N 1 1 406.302 2.461 20 5 HEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742304112 1076812609 /nfs/dbraw/zinc/81/26/09/1076812609.db2.gz PCRHQTJEMYNVGR-QWRGUYRKSA-N 1 1 406.302 2.461 20 5 HEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@@H+]1CCOC ZINC000767123884 1079690250 /nfs/dbraw/zinc/69/02/50/1079690250.db2.gz VAPFKDZBTSWQFJ-SFHVURJKSA-N 1 1 420.510 2.004 20 5 HEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@H+]1CCOC ZINC000767123884 1079690267 /nfs/dbraw/zinc/69/02/67/1079690267.db2.gz VAPFKDZBTSWQFJ-SFHVURJKSA-N 1 1 420.510 2.004 20 5 HEBDMO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000767170465 1079705791 /nfs/dbraw/zinc/70/57/91/1079705791.db2.gz KDRBRCNCBDOGPQ-UHFFFAOYSA-N 1 1 416.865 2.322 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC001169985969 1080355717 /nfs/dbraw/zinc/35/57/17/1080355717.db2.gz MJOQNSGZWNXKCF-INIZCTEOSA-N 1 1 405.480 2.456 20 5 HEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC001169985969 1080355728 /nfs/dbraw/zinc/35/57/28/1080355728.db2.gz MJOQNSGZWNXKCF-INIZCTEOSA-N 1 1 405.480 2.456 20 5 HEBDMO O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883432 1080885576 /nfs/dbraw/zinc/88/55/76/1080885576.db2.gz ZWJWSRHSTZEIJP-CQSZACIVSA-N 1 1 405.407 2.212 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451598 1081084611 /nfs/dbraw/zinc/08/46/11/1081084611.db2.gz KKEIVDCCAFPVOJ-SMDDNHRTSA-N 1 1 418.313 2.462 20 5 HEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532211 1081111847 /nfs/dbraw/zinc/11/18/47/1081111847.db2.gz IYSLJYYJZVFFKF-MRXNPFEDSA-N 1 1 411.300 2.096 20 5 HEBDMO COC(=O)c1ccnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164649067 719311649 /nfs/dbraw/zinc/31/16/49/719311649.db2.gz NZVBXMJUDDTLGH-UHFFFAOYSA-N 1 1 402.455 2.178 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813385 720214730 /nfs/dbraw/zinc/21/47/30/720214730.db2.gz PBLKCJJFCHJTNA-UHFFFAOYSA-N 1 1 421.889 2.154 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CCC2 ZINC001164811931 720228618 /nfs/dbraw/zinc/22/86/18/720228618.db2.gz AZXBLCCNVFRMLF-UHFFFAOYSA-N 1 1 411.466 2.278 20 5 HEBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835422 720566179 /nfs/dbraw/zinc/56/61/79/720566179.db2.gz HIIURPLXLTUBGF-BHYGNILZSA-N 1 1 420.901 2.456 20 5 HEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740860 720817267 /nfs/dbraw/zinc/81/72/67/720817267.db2.gz LVOCITYVOAHRRO-DJIMGWMZSA-N 1 1 401.446 2.100 20 5 HEBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]2C1 ZINC001164852553 720843671 /nfs/dbraw/zinc/84/36/71/720843671.db2.gz KUDUTIXRUFQTGK-TZMCWYRMSA-N 1 1 420.844 2.362 20 5 HEBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164854268 720844794 /nfs/dbraw/zinc/84/47/94/720844794.db2.gz QQYDAMCFQIYUDR-RISCZKNCSA-N 1 1 405.282 2.470 20 5 HEBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867531 721057340 /nfs/dbraw/zinc/05/73/40/721057340.db2.gz JNQDSDHRQDQFSN-QZTJIDSGSA-N 1 1 406.446 2.413 20 5 HEBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867645 721078462 /nfs/dbraw/zinc/07/84/62/721078462.db2.gz YZSBUUJNQUSQRT-ZWKOTPCHSA-N 1 1 406.446 2.413 20 5 HEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873584 721178282 /nfs/dbraw/zinc/17/82/82/721178282.db2.gz IRZTWLSRZHRXMW-SJORKVTESA-N 1 1 406.446 2.413 20 5 HEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873580 721178805 /nfs/dbraw/zinc/17/88/05/721178805.db2.gz IRZTWLSRZHRXMW-DLBZAZTESA-N 1 1 406.446 2.413 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164784246 721364158 /nfs/dbraw/zinc/36/41/58/721364158.db2.gz QZOZPXQBPCANLF-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164784246 721364160 /nfs/dbraw/zinc/36/41/60/721364160.db2.gz QZOZPXQBPCANLF-HXUWFJFHSA-N 1 1 416.482 2.296 20 5 HEBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164786769 721470889 /nfs/dbraw/zinc/47/08/89/721470889.db2.gz CEKXHPNPVWSNRL-GOSISDBHSA-N 1 1 419.526 2.427 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164798151 721557621 /nfs/dbraw/zinc/55/76/21/721557621.db2.gz AKCMBKZURSRYLO-LZLYRXPVSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164798151 721557624 /nfs/dbraw/zinc/55/76/24/721557624.db2.gz AKCMBKZURSRYLO-LZLYRXPVSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2CCCO[C@H]21 ZINC001164803962 721565262 /nfs/dbraw/zinc/56/52/62/721565262.db2.gz JZLTZVPUDREWLV-GPMSIDNRSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H]2CCCO[C@H]21 ZINC001164803962 721565267 /nfs/dbraw/zinc/56/52/67/721565267.db2.gz JZLTZVPUDREWLV-GPMSIDNRSA-N 1 1 419.869 2.145 20 5 HEBDMO COc1cc(C)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971420 722112577 /nfs/dbraw/zinc/11/25/77/722112577.db2.gz CKBFMQDRFQBUDM-IEBWSBKVSA-N 1 1 413.478 2.429 20 5 HEBDMO COc1cc(C)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971423 722112703 /nfs/dbraw/zinc/11/27/03/722112703.db2.gz CKBFMQDRFQBUDM-PKOBYXMFSA-N 1 1 413.478 2.429 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971942 722121239 /nfs/dbraw/zinc/12/12/39/722121239.db2.gz DXEZIAYTRIAZQW-WBVHZDCISA-N 1 1 419.869 2.004 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746276431 1078842106 /nfs/dbraw/zinc/84/21/06/1078842106.db2.gz XZSKNZOBDDAFIM-OAHLLOKOSA-N 1 1 407.467 2.279 20 5 HEBDMO COC(=O)C[C@@]1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCOC1 ZINC000770696983 1078965476 /nfs/dbraw/zinc/96/54/76/1078965476.db2.gz IWNCEIAIKTUPOW-KRWDZBQOSA-N 1 1 404.366 2.407 20 5 HEBDMO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011883 1079098982 /nfs/dbraw/zinc/09/89/82/1079098982.db2.gz NDYYPEFYDUKXQK-BPKGMFCQSA-N 1 1 411.499 2.305 20 5 HEBDMO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021163 1079111627 /nfs/dbraw/zinc/11/16/27/1079111627.db2.gz JWIHKURQNABBQT-UKRRQHHQSA-N 1 1 401.492 2.058 20 5 HEBDMO O=C(Nc1ccncc1)c1nc2c(s1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021166 1079111644 /nfs/dbraw/zinc/11/16/44/1079111644.db2.gz JWIHKURQNABBQT-ZFWWWQNUSA-N 1 1 401.492 2.058 20 5 HEBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759125 1076617650 /nfs/dbraw/zinc/61/76/50/1076617650.db2.gz XOSNVFGBZVGZQG-LLVKDONJSA-N 1 1 406.302 2.368 20 5 HEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000742304113 1076812529 /nfs/dbraw/zinc/81/25/29/1076812529.db2.gz PCRHQTJEMYNVGR-WDEREUQCSA-N 1 1 406.302 2.461 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785857339 1080283902 /nfs/dbraw/zinc/28/39/02/1080283902.db2.gz HLEDVMXUXXKFSI-LBPRGKRZSA-N 1 1 418.410 2.372 20 5 HEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785862279 1080286401 /nfs/dbraw/zinc/28/64/01/1080286401.db2.gz YSDCFYLVQOOPRT-GFCCVEGCSA-N 1 1 418.410 2.372 20 5 HEBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164708523 719865094 /nfs/dbraw/zinc/86/50/94/719865094.db2.gz ZRRMQNCLTLIJBV-DYESRHJHSA-N 1 1 414.462 2.376 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CCC2 ZINC001164814005 720230739 /nfs/dbraw/zinc/23/07/39/720230739.db2.gz SYCTUDQOZHVNOO-UHFFFAOYSA-N 1 1 411.466 2.278 20 5 HEBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cccc([N+](=O)[O-])c31)CCC2 ZINC001164818396 720243761 /nfs/dbraw/zinc/24/37/61/720243761.db2.gz ZEMANWQVKSKWFO-UHFFFAOYSA-N 1 1 423.477 2.345 20 5 HEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841425 720568153 /nfs/dbraw/zinc/56/81/53/720568153.db2.gz VLHGHGXYIMCFIX-ZIFCJYIRSA-N 1 1 400.483 2.111 20 5 HEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)c1 ZINC001164745586 720822867 /nfs/dbraw/zinc/82/28/67/720822867.db2.gz WYSSSJWZRCWCCZ-QGPMSJSTSA-N 1 1 401.446 2.100 20 5 HEBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164740037 720839495 /nfs/dbraw/zinc/83/94/95/720839495.db2.gz BPJKQWVKHSAHCF-XYJFISCASA-N 1 1 422.493 2.442 20 5 HEBDMO COC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164862796 720970674 /nfs/dbraw/zinc/97/06/74/720970674.db2.gz UQQMIOGYVKSTCY-CYBMUJFWSA-N 1 1 402.455 2.394 20 5 HEBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867642 721078706 /nfs/dbraw/zinc/07/87/06/721078706.db2.gz YZSBUUJNQUSQRT-MSOLQXFVSA-N 1 1 406.446 2.413 20 5 HEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788056 721417732 /nfs/dbraw/zinc/41/77/32/721417732.db2.gz QQCGSIYCLLGISX-STQMWFEESA-N 1 1 403.464 2.191 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883649 721420532 /nfs/dbraw/zinc/42/05/32/721420532.db2.gz BPTJPHFHKHFNSI-KKSFZXQISA-N 1 1 414.510 2.237 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900313 721515159 /nfs/dbraw/zinc/51/51/59/721515159.db2.gz QBUZATZXJRHPRR-DOTOQJQBSA-N 1 1 416.409 2.257 20 5 HEBDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165010142 721733622 /nfs/dbraw/zinc/73/36/22/721733622.db2.gz BXHBBMOKGRMOPC-UHFFFAOYSA-N 1 1 417.297 2.215 20 5 HEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983423 722100526 /nfs/dbraw/zinc/10/05/26/722100526.db2.gz QAPUBGXYWPAGGK-GOEBONIOSA-N 1 1 404.858 2.161 20 5 HEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC000769758167 1078543147 /nfs/dbraw/zinc/54/31/47/1078543147.db2.gz UBNDXXJSHLQJKU-CKEIUWERSA-N 1 1 404.442 2.030 20 5 HEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000769907655 1078628414 /nfs/dbraw/zinc/62/84/14/1078628414.db2.gz PYFMJXKIECNVRZ-UHFFFAOYSA-N 1 1 417.915 2.290 20 5 HEBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746296047 1078844869 /nfs/dbraw/zinc/84/48/69/1078844869.db2.gz IVKAPIREEWFBTP-WMLDXEAASA-N 1 1 417.462 2.270 20 5 HEBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000746426099 1078923690 /nfs/dbraw/zinc/92/36/90/1078923690.db2.gz ZCUHLVUTWUIIDV-UHFFFAOYSA-N 1 1 420.491 2.099 20 5 HEBDMO CCC[C@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766431473 1079001500 /nfs/dbraw/zinc/00/15/00/1079001500.db2.gz UHUOQWMJTRSJGW-ZDUSSCGKSA-N 1 1 410.427 2.227 20 5 HEBDMO CCC[C@H]1CN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000766431473 1079001511 /nfs/dbraw/zinc/00/15/11/1079001511.db2.gz UHUOQWMJTRSJGW-ZDUSSCGKSA-N 1 1 410.427 2.227 20 5 HEBDMO O=C1C[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc2c(c1)OCCO2 ZINC001169026193 1079113599 /nfs/dbraw/zinc/11/35/99/1079113599.db2.gz VRKGTHAGTLIKNG-ZOCZFRKYSA-N 1 1 401.463 2.332 20 5 HEBDMO C[N@@H+]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000766621954 1079199591 /nfs/dbraw/zinc/19/95/91/1079199591.db2.gz BVOVBKKHRUVCHH-UHFFFAOYSA-N 1 1 403.220 2.366 20 5 HEBDMO C[N@H+]1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000766621954 1079199601 /nfs/dbraw/zinc/19/96/01/1079199601.db2.gz BVOVBKKHRUVCHH-UHFFFAOYSA-N 1 1 403.220 2.366 20 5 HEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537847 1079325796 /nfs/dbraw/zinc/32/57/96/1079325796.db2.gz BROMWJBXIYUKLZ-KXBFYZLASA-N 1 1 421.461 2.211 20 5 HEBDMO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000742277020 1076808422 /nfs/dbraw/zinc/80/84/22/1076808422.db2.gz IVSNCOQXOAIBJJ-QWHCGFSZSA-N 1 1 404.286 2.262 20 5 HEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297050 1076820703 /nfs/dbraw/zinc/82/07/03/1076820703.db2.gz UTWKXIRPIZDXII-LLVKDONJSA-N 1 1 406.302 2.320 20 5 HEBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](CCO)c1ccccc1 ZINC000744411757 1077384299 /nfs/dbraw/zinc/38/42/99/1077384299.db2.gz IYAXIPJSZYIUQL-NRFANRHFSA-N 1 1 412.490 2.299 20 5 HEBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](CCO)c1ccccc1 ZINC000744411757 1077384302 /nfs/dbraw/zinc/38/43/02/1077384302.db2.gz IYAXIPJSZYIUQL-NRFANRHFSA-N 1 1 412.490 2.299 20 5 HEBDMO C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745334880 1077805265 /nfs/dbraw/zinc/80/52/65/1077805265.db2.gz YMOJMSXQWPYEGH-QFBILLFUSA-N 1 1 411.458 2.460 20 5 HEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766962223 1079558612 /nfs/dbraw/zinc/55/86/12/1079558612.db2.gz RYAIWYMTLWFGBD-YJBOKZPZSA-N 1 1 417.466 2.254 20 5 HEBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cn1 ZINC000767622886 1080014410 /nfs/dbraw/zinc/01/44/10/1080014410.db2.gz VSEUDTPRKIERPQ-UHFFFAOYSA-N 1 1 420.385 2.390 20 5 HEBDMO Cc1c(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742011222 1080021848 /nfs/dbraw/zinc/02/18/48/1080021848.db2.gz LUWOKDZTWCSMAC-UHFFFAOYSA-N 1 1 419.482 2.492 20 5 HEBDMO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767860648 1080182196 /nfs/dbraw/zinc/18/21/96/1080182196.db2.gz WPMQVJPDUBTEQF-UHFFFAOYSA-N 1 1 424.501 2.227 20 5 HEBDMO Cc1c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785825224 1080260854 /nfs/dbraw/zinc/26/08/54/1080260854.db2.gz DNFKYOQLBCXXMR-GFCCVEGCSA-N 1 1 406.439 2.445 20 5 HEBDMO CC(C)CN1C[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCN2C1=O ZINC000785877423 1080272674 /nfs/dbraw/zinc/27/26/74/1080272674.db2.gz PMQNAHZDELEJGC-HNNXBMFYSA-N 1 1 407.446 2.140 20 5 HEBDMO CC(C)CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CCN2C1=O ZINC000785877423 1080272686 /nfs/dbraw/zinc/27/26/86/1080272686.db2.gz PMQNAHZDELEJGC-HNNXBMFYSA-N 1 1 407.446 2.140 20 5 HEBDMO O=C(C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000768193636 1080408646 /nfs/dbraw/zinc/40/86/46/1080408646.db2.gz HGWFIXODISDROO-UHFFFAOYSA-N 1 1 412.284 2.428 20 5 HEBDMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000768806722 1080785291 /nfs/dbraw/zinc/78/52/91/1080785291.db2.gz WKSNYEWSMCJNDO-UHFFFAOYSA-N 1 1 424.548 2.455 20 5 HEBDMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769143100 1080959361 /nfs/dbraw/zinc/95/93/61/1080959361.db2.gz JIPVZISSGWIJEQ-UHFFFAOYSA-N 1 1 406.483 2.243 20 5 HEBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164709711 720095331 /nfs/dbraw/zinc/09/53/31/720095331.db2.gz CLKDPINCOHSZME-LJQANCHMSA-N 1 1 413.478 2.131 20 5 HEBDMO Cc1c(C)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncc1[N+](=O)[O-] ZINC001164814761 720226584 /nfs/dbraw/zinc/22/65/84/720226584.db2.gz YPLMVLSGTZNIAE-UHFFFAOYSA-N 1 1 400.483 2.414 20 5 HEBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164855574 720929275 /nfs/dbraw/zinc/92/92/75/720929275.db2.gz IROGPBKBNGDOPG-CYBMUJFWSA-N 1 1 402.455 2.394 20 5 HEBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870073 721045962 /nfs/dbraw/zinc/04/59/62/721045962.db2.gz VPWUKBCSQXRTDT-HUUCEWRRSA-N 1 1 404.858 2.221 20 5 HEBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765066 721099283 /nfs/dbraw/zinc/09/92/83/721099283.db2.gz IHJNOBVCHZPDGN-RYUDHWBXSA-N 1 1 412.281 2.383 20 5 HEBDMO CC(C)Oc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764066 721214688 /nfs/dbraw/zinc/21/46/88/721214688.db2.gz GCYZUQLJAPOTRJ-DLBZAZTESA-N 1 1 400.483 2.469 20 5 HEBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164780794 721372267 /nfs/dbraw/zinc/37/22/67/721372267.db2.gz HNYCXQQWJIYTFY-HXUWFJFHSA-N 1 1 416.482 2.417 20 5 HEBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164780794 721372269 /nfs/dbraw/zinc/37/22/69/721372269.db2.gz HNYCXQQWJIYTFY-HXUWFJFHSA-N 1 1 416.482 2.417 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893625 721382796 /nfs/dbraw/zinc/38/27/96/721382796.db2.gz WFUALQAHCHXXRM-LPHOPBHVSA-N 1 1 409.918 2.409 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888502 721391605 /nfs/dbraw/zinc/39/16/05/721391605.db2.gz JOJBNFHFHKBQFS-HNAYVOBHSA-N 1 1 409.918 2.409 20 5 HEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889823 721392740 /nfs/dbraw/zinc/39/27/40/721392740.db2.gz MNMVTBVZEWURNW-DNVCBOLYSA-N 1 1 424.933 2.112 20 5 HEBDMO Cc1c(C)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890913 721418204 /nfs/dbraw/zinc/41/82/04/721418204.db2.gz UIBZRWWTMSXGGI-RXVVDRJESA-N 1 1 403.527 2.372 20 5 HEBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883643 721420543 /nfs/dbraw/zinc/42/05/43/721420543.db2.gz BPTJPHFHKHFNSI-HRAATJIYSA-N 1 1 414.510 2.237 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905270 721536438 /nfs/dbraw/zinc/53/64/38/721536438.db2.gz HZTGWXGCADELIK-UKRRQHHQSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905270 721536441 /nfs/dbraw/zinc/53/64/41/721536441.db2.gz HZTGWXGCADELIK-UKRRQHHQSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905271 721536946 /nfs/dbraw/zinc/53/69/46/721536946.db2.gz HZTGWXGCADELIK-ZFWWWQNUSA-N 1 1 408.817 2.363 20 5 HEBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905271 721536950 /nfs/dbraw/zinc/53/69/50/721536950.db2.gz HZTGWXGCADELIK-ZFWWWQNUSA-N 1 1 408.817 2.363 20 5 HEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2CCCO[C@H]12 ZINC001164803960 721565593 /nfs/dbraw/zinc/56/55/93/721565593.db2.gz JZLTZVPUDREWLV-FCEWJHQRSA-N 1 1 419.869 2.145 20 5 HEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2CCCO[C@H]12 ZINC001164803960 721565596 /nfs/dbraw/zinc/56/55/96/721565596.db2.gz JZLTZVPUDREWLV-FCEWJHQRSA-N 1 1 419.869 2.145 20 5 HEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907586 721567224 /nfs/dbraw/zinc/56/72/24/721567224.db2.gz OTSVKSGYKGXQMF-GDBMZVCRSA-N 1 1 416.409 2.257 20 5 HEBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979180 722129300 /nfs/dbraw/zinc/12/93/00/722129300.db2.gz PMKVSZGOMQOWRM-DOTOQJQBSA-N 1 1 419.869 2.004 20 5 HEBDMO