smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/NC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408739063 559225569 /nfs/dbraw/zinc/22/55/69/559225569.db2.gz SJAZSZVWMPXTPP-WDZFZDKYSA-N 0 1 400.303 2.484 40 5 HEBBMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103563314 560843200 /nfs/dbraw/zinc/84/32/00/560843200.db2.gz WMOIDSVFHDUYQF-OZQHCQBDSA-N 0 1 418.409 2.026 40 5 HEBBMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000103563314 560843202 /nfs/dbraw/zinc/84/32/02/560843202.db2.gz WMOIDSVFHDUYQF-OZQHCQBDSA-N 0 1 418.409 2.026 40 5 HEBBMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000016012246 569025563 /nfs/dbraw/zinc/02/55/63/569025563.db2.gz WMOIDSVFHDUYQF-QLDGJZPUSA-N 0 1 418.409 2.026 40 5 HEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000223590389 569030601 /nfs/dbraw/zinc/03/06/01/569030601.db2.gz ZMRVXMPHSIQXGP-UHFFFAOYSA-N 0 1 420.403 2.141 40 5 HEBBMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000015223795 568819084 /nfs/dbraw/zinc/81/90/84/568819084.db2.gz PTAAMSSDVVNNBX-QLDGJZPUSA-N 0 1 418.409 2.026 40 5 HEBBMN COC(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659597 571098059 /nfs/dbraw/zinc/09/80/59/571098059.db2.gz RAGNDLSPJURXAF-HNNXBMFYSA-N 0 1 424.369 2.016 40 5 HEBBMN COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659597 571098061 /nfs/dbraw/zinc/09/80/61/571098061.db2.gz RAGNDLSPJURXAF-HNNXBMFYSA-N 0 1 424.369 2.016 40 5 HEBBMN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C(=O)OC)c1 ZINC000014397810 560841695 /nfs/dbraw/zinc/84/16/95/560841695.db2.gz RUBRJPCVWBETMB-UHFFFAOYSA-N 0 1 408.388 2.277 40 5 HEBBMN CCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC ZINC000010008917 569394908 /nfs/dbraw/zinc/39/49/08/569394908.db2.gz RYCAESUGLKWANL-UHFFFAOYSA-N 0 1 409.420 2.163 40 5 HEBBMN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000409203919 559244809 /nfs/dbraw/zinc/24/48/09/559244809.db2.gz ZXQBHXYEURXDAH-JYRVWZFOSA-N 0 1 409.420 2.214 40 5 HEBBMN O=C([O-])c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000256047900 569396951 /nfs/dbraw/zinc/39/69/51/569396951.db2.gz PFRNMFSLOMDKAP-UHFFFAOYSA-N 0 1 408.418 2.196 40 5 HEBBMN CCCn1ccc2nc3ccn(-c4n[nH]c(C)c4C(=O)OCC)c(=O)c3cc2c1=O ZINC000040399086 521658634 /nfs/dbraw/zinc/65/86/34/521658634.db2.gz PSOLTTLBKTVWTJ-UHFFFAOYSA-N 0 1 407.430 2.319 40 5 HEBBMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000016129788 569029257 /nfs/dbraw/zinc/02/92/57/569029257.db2.gz FWWDGJDXULTNNH-UHFFFAOYSA-N 0 1 408.388 2.277 40 5 HEBBMN Cc1c2ccccc2c(C[N@@H+](C)CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 ZINC000001678480 557280177 /nfs/dbraw/zinc/28/01/77/557280177.db2.gz LJYNTXFLLSEVAT-UHFFFAOYSA-N 0 1 407.470 2.050 40 5 HEBBMN Cc1ccc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000408532861 557315969 /nfs/dbraw/zinc/31/59/69/557315969.db2.gz RITCSGGZWDPMLC-UHFFFAOYSA-N 0 1 410.434 2.489 40 5 HEBBMN O=Cc1cc([N+](=O)[O-])ccc1Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000408674734 559224454 /nfs/dbraw/zinc/22/44/54/559224454.db2.gz GRCLSENJCILCNT-UHFFFAOYSA-N 0 1 421.417 2.338 40 5 HEBBMN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000004263342 568955688 /nfs/dbraw/zinc/95/56/88/568955688.db2.gz DITNEJNVBANGNY-WWGRRREGSA-N 0 1 410.308 2.094 40 5 HEBBMN CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O ZINC000205857009 559060277 /nfs/dbraw/zinc/06/02/77/559060277.db2.gz PTYXHPWCAVMRCI-RIYZIHGNSA-N 0 1 421.431 2.358 40 5 HEBBMN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000059132394 568943950 /nfs/dbraw/zinc/94/39/50/568943950.db2.gz OFGQNMJVNDCMNM-UHFFFAOYSA-N 0 1 413.477 2.426 40 5 HEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000223761291 569031521 /nfs/dbraw/zinc/03/15/21/569031521.db2.gz SXZUABJQSUIQNT-UHFFFAOYSA-N 0 1 420.403 2.141 40 5 HEBBMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000223652783 569030794 /nfs/dbraw/zinc/03/07/94/569030794.db2.gz VMHCOMJIBMBMKQ-UHFFFAOYSA-N 0 1 418.475 2.092 40 5 HEBBMN COC(=O)[C@H](C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000017211616 569276571 /nfs/dbraw/zinc/27/65/71/569276571.db2.gz VPTLVUHZPYJLOO-HNNXBMFYSA-N 0 1 424.369 2.016 40 5 HEBBMN COC(=O)C(C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000017211616 569276573 /nfs/dbraw/zinc/27/65/73/569276573.db2.gz VPTLVUHZPYJLOO-HNNXBMFYSA-N 0 1 424.369 2.016 40 5 HEBBMN COc1cccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c1 ZINC000223771787 569031576 /nfs/dbraw/zinc/03/15/76/569031576.db2.gz LDLOYDXVWDTCMQ-UHFFFAOYSA-N 0 1 404.404 2.440 40 5 HEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000223771859 569031619 /nfs/dbraw/zinc/03/16/19/569031619.db2.gz HRJAROZEEBUEMO-UHFFFAOYSA-N 0 1 404.404 2.440 40 5 HEBBMN Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4ccc([N+](=O)[O-])cc4)c(O)c-3c2=O)n1 ZINC000009926406 569394465 /nfs/dbraw/zinc/39/44/65/569394465.db2.gz XXVLYUDVTOZIJZ-UHFFFAOYSA-N 0 1 406.402 2.221 40 5 HEBBMN COc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000066016888 569393901 /nfs/dbraw/zinc/39/39/01/569393901.db2.gz LMHCESLHSBFUPH-UHFFFAOYSA-N 0 1 400.435 2.373 40 5 HEBBMN COCc1nc(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040398966 523162440 /nfs/dbraw/zinc/16/24/40/523162440.db2.gz HOIKNXKHEPTCRX-UHFFFAOYSA-N 0 1 414.425 2.263 40 5 HEBBMN COc1ccccc1-n1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O ZINC000040398591 524306380 /nfs/dbraw/zinc/30/63/80/524306380.db2.gz MQUCREMZSLYWEG-UHFFFAOYSA-N 0 1 400.398 2.125 40 5 HEBBMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000103518165 560842840 /nfs/dbraw/zinc/84/28/40/560842840.db2.gz PTAAMSSDVVNNBX-QSNWEANLSA-N 0 1 418.409 2.026 40 5 HEBBMN CC(C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000015975125 569025178 /nfs/dbraw/zinc/02/51/78/569025178.db2.gz BSIKUHLEOMYPKY-FOUBCARRSA-N 0 1 420.425 2.176 40 5 HEBBMN COCc1nc(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040398990 523163091 /nfs/dbraw/zinc/16/30/91/523163091.db2.gz OKOJEWZPWABRLZ-UHFFFAOYSA-N 0 1 406.446 2.470 40 5 HEBBMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033875733 559275429 /nfs/dbraw/zinc/27/54/29/559275429.db2.gz PTAAMSSDVVNNBX-OZQHCQBDSA-N 0 1 418.409 2.026 40 5 HEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000223581210 569030599 /nfs/dbraw/zinc/03/05/99/569030599.db2.gz JARXKKNXOQMQQW-UHFFFAOYSA-N 0 1 420.403 2.141 40 5 HEBBMN COC(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659596 571098069 /nfs/dbraw/zinc/09/80/69/571098069.db2.gz RAGNDLSPJURXAF-OAHLLOKOSA-N 0 1 424.369 2.016 40 5 HEBBMN COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659596 571098071 /nfs/dbraw/zinc/09/80/71/571098071.db2.gz RAGNDLSPJURXAF-OAHLLOKOSA-N 0 1 424.369 2.016 40 5 HEBBMN CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000409202349 560693378 /nfs/dbraw/zinc/69/33/78/560693378.db2.gz PXZJAUSNAUCMFH-JYRVWZFOSA-N 0 1 409.420 2.262 40 5 HEBBMN O=c1nc2[nH]c3ccccc3n2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 ZINC000009950369 569394545 /nfs/dbraw/zinc/39/45/45/569394545.db2.gz DHGDIRUIZQAERD-UHFFFAOYSA-N 0 1 418.862 2.003 40 5 HEBBMN O=C([O-])c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000256046044 569396855 /nfs/dbraw/zinc/39/68/55/569396855.db2.gz CIWJFABJGFLOSP-UHFFFAOYSA-N 0 1 408.418 2.196 40 5 HEBBMN CCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n1 ZINC000040399136 522121939 /nfs/dbraw/zinc/12/19/39/522121939.db2.gz YQRNQFQCPLNLFH-UHFFFAOYSA-N 0 1 414.425 2.379 40 5 HEBBMN CCc1nc(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399136 522121946 /nfs/dbraw/zinc/12/19/46/522121946.db2.gz YQRNQFQCPLNLFH-UHFFFAOYSA-N 0 1 414.425 2.379 40 5 HEBBMN COc1ccccc1Cn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O ZINC000040372879 524520560 /nfs/dbraw/zinc/52/05/60/524520560.db2.gz AUHSAUXMIWXPHT-UHFFFAOYSA-N 0 1 414.425 2.184 40 5 HEBBMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000059014084 568881777 /nfs/dbraw/zinc/88/17/77/568881777.db2.gz SWNDPHAEAWOOSJ-UHFFFAOYSA-N 0 1 413.415 2.367 40 5 HEBBMN O=C1CC(=O)OC(c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)O1 ZINC000059488732 568956408 /nfs/dbraw/zinc/95/64/08/568956408.db2.gz SAFHHBPFMRJSNI-UHFFFAOYSA-N 0 1 411.414 2.406 40 5 HEBBMN COCc1nc(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n[nH]1 ZINC000040398967 523162270 /nfs/dbraw/zinc/16/22/70/523162270.db2.gz CTLJPLPJKPCPOA-UHFFFAOYSA-N 0 1 414.425 2.263 40 5 HEBBMN COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc([N+](=O)[O-])c1O ZINC000261363198 568819307 /nfs/dbraw/zinc/81/93/07/568819307.db2.gz PVQFAARYLYLMBR-INIZCTEOSA-O 0 1 414.423 2.453 40 5 HEBBMN CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000222861699 568821695 /nfs/dbraw/zinc/82/16/95/568821695.db2.gz MZTLWMBQFTYBFX-UHFFFAOYSA-N 0 1 405.845 2.495 40 5 HEBBMN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000004263343 568955755 /nfs/dbraw/zinc/95/57/55/568955755.db2.gz DITNEJNVBANGNY-XEZPLFJOSA-N 0 1 410.308 2.094 40 5 HEBBMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000040375300 522979056 /nfs/dbraw/zinc/97/90/56/522979056.db2.gz DEIZIUASTIATLK-AWEZNQCLSA-N 0 1 408.374 2.384 40 5 HEBBMN CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n1 ZINC000040399135 522123048 /nfs/dbraw/zinc/12/30/48/522123048.db2.gz XRQZTFUGJFJSET-UHFFFAOYSA-N 0 1 414.425 2.379 40 5 HEBBMN CCc1nc(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399135 522123060 /nfs/dbraw/zinc/12/30/60/522123060.db2.gz XRQZTFUGJFJSET-UHFFFAOYSA-N 0 1 414.425 2.379 40 5 HEBBMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216440747 568825004 /nfs/dbraw/zinc/82/50/04/568825004.db2.gz NJBXOXLUGOYRRZ-UHFFFAOYSA-N 0 1 410.404 2.341 40 5 HEBBMN CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O ZINC000040399092 521399460 /nfs/dbraw/zinc/39/94/60/521399460.db2.gz GDNRNKVJUBUPJB-UHFFFAOYSA-N 0 1 405.414 2.244 40 5 HEBBMN COc1ccc(-n2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)cc1 ZINC000040398593 523334346 /nfs/dbraw/zinc/33/43/46/523334346.db2.gz FSMAJOXZAHPUHJ-UHFFFAOYSA-N 0 1 400.398 2.125 40 5 HEBBMN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000106765963 560893763 /nfs/dbraw/zinc/89/37/63/560893763.db2.gz PBTXIKJCUDWEAV-ZROIWOOFSA-N 0 1 421.431 2.358 40 5 HEBBMN O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000256047894 569396981 /nfs/dbraw/zinc/39/69/81/569396981.db2.gz PFLWRZKTZQPDPU-UHFFFAOYSA-N 0 1 408.418 2.196 40 5 HEBBMN COc1cccc(-n2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)c1 ZINC000040398592 525753985 /nfs/dbraw/zinc/75/39/85/525753985.db2.gz HZKARIZXRWWBPV-UHFFFAOYSA-N 0 1 400.398 2.125 40 5 HEBBMN COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000409200454 560692580 /nfs/dbraw/zinc/69/25/80/560692580.db2.gz IJPUCYTYPFUSCQ-MLPAPPSSSA-N 0 1 409.420 2.118 40 5 HEBBMN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000106756727 560893671 /nfs/dbraw/zinc/89/36/71/560893671.db2.gz GLNFYPXHLBQTGO-ZROIWOOFSA-N 0 1 421.431 2.358 40 5 HEBBMN COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc([N+](=O)[O-])c1O ZINC000261363200 569413514 /nfs/dbraw/zinc/41/35/14/569413514.db2.gz PVQFAARYLYLMBR-MRXNPFEDSA-O 0 1 414.423 2.453 40 5 HEBBMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 ZINC000013585766 558845122 /nfs/dbraw/zinc/84/51/22/558845122.db2.gz MJZVPOVXRWHAHY-UHFFFAOYSA-N 0 1 407.429 2.434 40 5 HEBBMN CC(C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000101994171 559148879 /nfs/dbraw/zinc/14/88/79/559148879.db2.gz BSIKUHLEOMYPKY-AYMMHLMVSA-N 0 1 420.425 2.176 40 5 HEBBMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000104728968 560853347 /nfs/dbraw/zinc/85/33/47/560853347.db2.gz NFUVVBMXYBZATR-UHFFFAOYSA-N 0 1 418.475 2.092 40 5 HEBBMN COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O ZINC000106755967 560893711 /nfs/dbraw/zinc/89/37/11/560893711.db2.gz DEQPZCVMJRFYCA-ZSOIEALJSA-N 0 1 421.431 2.358 40 5 HEBBMN CC(C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000016011988 569025589 /nfs/dbraw/zinc/02/55/89/569025589.db2.gz FGMRIYXBKDSDSE-AYMMHLMVSA-N 0 1 420.425 2.176 40 5 HEBBMN CC(C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000009012302 569391180 /nfs/dbraw/zinc/39/11/80/569391180.db2.gz FGMRIYXBKDSDSE-FOUBCARRSA-N 0 1 420.425 2.176 40 5 HEBBMN COC(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659605 571098202 /nfs/dbraw/zinc/09/82/02/571098202.db2.gz VPTLVUHZPYJLOO-OAHLLOKOSA-N 0 1 424.369 2.016 40 5 HEBBMN COC(=O)C(C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000008659605 571098204 /nfs/dbraw/zinc/09/82/04/571098204.db2.gz VPTLVUHZPYJLOO-OAHLLOKOSA-N 0 1 424.369 2.016 40 5 HEBBMN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000040375297 522979191 /nfs/dbraw/zinc/97/91/91/522979191.db2.gz DEIZIUASTIATLK-CQSZACIVSA-N 0 1 408.374 2.384 40 5 HEBBMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000103518163 560842810 /nfs/dbraw/zinc/84/28/10/560842810.db2.gz PTAAMSSDVVNNBX-IDVKNYFZSA-N 0 1 418.409 2.026 40 5 HEBBMN COc1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000223769874 568558642 /nfs/dbraw/zinc/55/86/42/568558642.db2.gz YTDSFIKADUITOS-UHFFFAOYSA-N 0 1 420.403 2.141 40 5 HEBBMN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)CC1 ZINC000409006935 560664761 /nfs/dbraw/zinc/66/47/61/560664761.db2.gz LLMACTXHIXDAKV-CPNJWEJPSA-N 0 1 421.482 2.117 40 5 HEBBMN CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001577318 569030548 /nfs/dbraw/zinc/03/05/48/569030548.db2.gz JJHLPONBRVNLCN-UHFFFAOYSA-N 0 1 417.374 2.449 40 5 HEBBMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103563322 560843244 /nfs/dbraw/zinc/84/32/44/560843244.db2.gz WMOIDSVFHDUYQF-IDVKNYFZSA-N 0 1 418.409 2.026 40 5 HEBBMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000103563322 560843246 /nfs/dbraw/zinc/84/32/46/560843246.db2.gz WMOIDSVFHDUYQF-IDVKNYFZSA-N 0 1 418.409 2.026 40 5 HEBBMN