smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870510 721193373 /nfs/dbraw/zinc/19/33/73/721193373.db2.gz VIQQAFGMLFCRQX-IRXDYDNUSA-N 0 3 440.891 3.066 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868627 721068666 /nfs/dbraw/zinc/06/86/66/721068666.db2.gz OUQXNGPVNRAOEB-JKSUJKDBSA-N 0 3 440.891 3.066 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164764840 721153741 /nfs/dbraw/zinc/15/37/41/721153741.db2.gz IEAGSJNWQKLNMS-CVEARBPZSA-N 0 3 426.908 3.488 20 5 IGBDHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879014 721158994 /nfs/dbraw/zinc/15/89/94/721158994.db2.gz RGZDWNBINZKBTR-FCHUYYIVSA-N 0 3 446.511 3.235 20 5 IGBDHN O=[N+]([O-])c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164838629 720737594 /nfs/dbraw/zinc/73/75/94/720737594.db2.gz UGGOBJBTODKJRP-UHFFFAOYSA-N 0 3 426.855 3.437 20 5 IGBDHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879018 721159786 /nfs/dbraw/zinc/15/97/86/721159786.db2.gz RGZDWNBINZKBTR-VXKWHMMOSA-N 0 3 446.511 3.235 20 5 IGBDHN Cc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762053 721214101 /nfs/dbraw/zinc/21/41/01/721214101.db2.gz CEBGNESCKJLJNB-WOJBJXKFSA-N 0 3 433.516 3.052 20 5 IGBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869436 721068085 /nfs/dbraw/zinc/06/80/85/721068085.db2.gz STAAZFUJFQDCAG-IAGOWNOFSA-N 0 3 440.891 3.066 20 5 IGBDHN Cc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866964 721121844 /nfs/dbraw/zinc/12/18/44/721121844.db2.gz VPNHJIDUSGXSQH-RTWAWAEBSA-N 0 3 446.511 3.235 20 5 IGBDHN CN(C)/C=C\c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906019 721551939 /nfs/dbraw/zinc/55/19/39/721551939.db2.gz IIQWTMCIHCPOGR-CWHLKURSSA-N 0 3 427.480 3.003 20 5 IGBDHN CN(C)/C=C/c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906026 721551995 /nfs/dbraw/zinc/55/19/95/721551995.db2.gz IIQWTMCIHCPOGR-KQPGTDLCSA-N 0 3 427.480 3.003 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870508 721190258 /nfs/dbraw/zinc/19/02/58/721190258.db2.gz VIQQAFGMLFCRQX-IAGOWNOFSA-N 0 3 440.891 3.066 20 5 IGBDHN CN(C)/C=C\c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906022 721552139 /nfs/dbraw/zinc/55/21/39/721552139.db2.gz IIQWTMCIHCPOGR-DDRDIHNTSA-N 0 3 427.480 3.003 20 5 IGBDHN CCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771404 721215169 /nfs/dbraw/zinc/21/51/69/721215169.db2.gz PLIRBUHSNPVTLT-VQTJNVASSA-N 0 3 447.543 3.306 20 5 IGBDHN CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164620226 719057029 /nfs/dbraw/zinc/05/70/29/719057029.db2.gz FROBMPRAQILXPT-CVEARBPZSA-N 0 3 445.907 3.316 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164771891 721203067 /nfs/dbraw/zinc/20/30/67/721203067.db2.gz RTJAGOGDRCZKDP-HOTGVXAUSA-N 0 3 426.908 3.488 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164760150 721240840 /nfs/dbraw/zinc/24/08/40/721240840.db2.gz CPXABQLIAWACDN-IRXDYDNUSA-N 0 3 426.908 3.488 20 5 IGBDHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911926 721535885 /nfs/dbraw/zinc/53/58/85/721535885.db2.gz XMRKLQOQYZPBBO-WBVHZDCISA-N 0 3 439.447 3.028 20 5 IGBDHN CCOC(=O)C1CCN(C2CCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC2)CC1 ZINC001164616434 719028163 /nfs/dbraw/zinc/02/81/63/719028163.db2.gz FABOIIBAZDEZMR-UHFFFAOYSA-N 0 3 443.957 3.004 20 5 IGBDHN Cc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762051 721213767 /nfs/dbraw/zinc/21/37/67/721213767.db2.gz CEBGNESCKJLJNB-UXHICEINSA-N 0 3 433.516 3.052 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164771893 721204326 /nfs/dbraw/zinc/20/43/26/721204326.db2.gz RTJAGOGDRCZKDP-JKSUJKDBSA-N 0 3 426.908 3.488 20 5 IGBDHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911924 721535800 /nfs/dbraw/zinc/53/58/00/721535800.db2.gz XMRKLQOQYZPBBO-RDJZCZTQSA-N 0 3 439.447 3.028 20 5 IGBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164985041 722138638 /nfs/dbraw/zinc/13/86/38/722138638.db2.gz YXZSYXONIRTMHA-NZQKXSOJSA-N 0 3 446.511 3.174 20 5 IGBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164985045 722138903 /nfs/dbraw/zinc/13/89/03/722138903.db2.gz YXZSYXONIRTMHA-REWPJTCUSA-N 0 3 446.511 3.174 20 5 IGBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164985039 722139199 /nfs/dbraw/zinc/13/91/99/722139199.db2.gz YXZSYXONIRTMHA-NFBKMPQASA-N 0 3 446.511 3.174 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868626 721068106 /nfs/dbraw/zinc/06/81/06/721068106.db2.gz OUQXNGPVNRAOEB-HZPDHXFCSA-N 0 3 440.891 3.066 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870513 721193905 /nfs/dbraw/zinc/19/39/05/721193905.db2.gz VIQQAFGMLFCRQX-SJORKVTESA-N 0 3 440.891 3.066 20 5 IGBDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)CC1 ZINC001164614130 719024102 /nfs/dbraw/zinc/02/41/02/719024102.db2.gz NPYNTYDSGSDATB-UHFFFAOYSA-N 0 3 446.882 3.432 20 5 IGBDHN Cc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773370 721173824 /nfs/dbraw/zinc/17/38/24/721173824.db2.gz WVBCCNOHFNPVPW-PMACEKPBSA-N 0 3 433.516 3.052 20 5 IGBDHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762050 721214609 /nfs/dbraw/zinc/21/46/09/721214609.db2.gz CEBGNESCKJLJNB-PMACEKPBSA-N 0 3 433.516 3.052 20 5 IGBDHN CCOC(=O)C1CCN(C2CCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164613848 719023022 /nfs/dbraw/zinc/02/30/22/719023022.db2.gz HNTVDIJHCDUMHE-UHFFFAOYSA-N 0 3 443.957 3.004 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164764843 721154267 /nfs/dbraw/zinc/15/42/67/721154267.db2.gz IEAGSJNWQKLNMS-HOTGVXAUSA-N 0 3 426.908 3.488 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164771890 721203959 /nfs/dbraw/zinc/20/39/59/721203959.db2.gz RTJAGOGDRCZKDP-CVEARBPZSA-N 0 3 426.908 3.488 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164768074 721242563 /nfs/dbraw/zinc/24/25/63/721242563.db2.gz XSGQSLRIFSNRNY-RTBURBONSA-N 0 3 436.491 3.488 20 5 IGBDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC001164614118 719021587 /nfs/dbraw/zinc/02/15/87/719021587.db2.gz NLXOUKZUMGZBAR-UHFFFAOYSA-N 0 3 446.882 3.432 20 5 IGBDHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762052 721213405 /nfs/dbraw/zinc/21/34/05/721213405.db2.gz CEBGNESCKJLJNB-VQTJNVASSA-N 0 3 433.516 3.052 20 5 IGBDHN Cc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773373 721174400 /nfs/dbraw/zinc/17/44/00/721174400.db2.gz WVBCCNOHFNPVPW-WOJBJXKFSA-N 0 3 433.516 3.052 20 5 IGBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c1 ZINC001164838005 720736488 /nfs/dbraw/zinc/73/64/88/720736488.db2.gz PQRPIZJJZYDWQQ-UHFFFAOYSA-N 0 3 426.855 3.437 20 5 IGBDHN O=[N+]([O-])c1ccc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc1Cl ZINC001164838685 720737123 /nfs/dbraw/zinc/73/71/23/720737123.db2.gz XBEYKSGPTDGNSC-UHFFFAOYSA-N 0 3 426.855 3.437 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164760152 721239605 /nfs/dbraw/zinc/23/96/05/721239605.db2.gz CPXABQLIAWACDN-SJORKVTESA-N 0 3 426.908 3.488 20 5 IGBDHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879020 721159780 /nfs/dbraw/zinc/15/97/80/721159780.db2.gz RGZDWNBINZKBTR-YADHBBJMSA-N 0 3 446.511 3.235 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164760148 721239941 /nfs/dbraw/zinc/23/99/41/721239941.db2.gz CPXABQLIAWACDN-IAGOWNOFSA-N 0 3 426.908 3.488 20 5 IGBDHN CN(C)/C=C/c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906029 721551787 /nfs/dbraw/zinc/55/17/87/721551787.db2.gz IIQWTMCIHCPOGR-YKMDAGRBSA-N 0 3 427.480 3.003 20 5 IGBDHN CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164620236 719056789 /nfs/dbraw/zinc/05/67/89/719056789.db2.gz FROBMPRAQILXPT-HZPDHXFCSA-N 0 3 445.907 3.316 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164771892 721203378 /nfs/dbraw/zinc/20/33/78/721203378.db2.gz RTJAGOGDRCZKDP-HZPDHXFCSA-N 0 3 426.908 3.488 20 5 IGBDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)CC1 ZINC001164613779 719024716 /nfs/dbraw/zinc/02/47/16/719024716.db2.gz DLCBOXBAOMIMLF-UHFFFAOYSA-N 0 3 446.882 3.432 20 5 IGBDHN Cc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866962 721120921 /nfs/dbraw/zinc/12/09/21/721120921.db2.gz VPNHJIDUSGXSQH-LEWJYISDSA-N 0 3 446.511 3.235 20 5 IGBDHN Cc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866963 721121713 /nfs/dbraw/zinc/12/17/13/721121713.db2.gz VPNHJIDUSGXSQH-NHCUHLMSSA-N 0 3 446.511 3.235 20 5 IGBDHN Cc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773372 721173692 /nfs/dbraw/zinc/17/36/92/721173692.db2.gz WVBCCNOHFNPVPW-VQTJNVASSA-N 0 3 433.516 3.052 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164768069 721241901 /nfs/dbraw/zinc/24/19/01/721241901.db2.gz XSGQSLRIFSNRNY-OALUTQOASA-N 0 3 436.491 3.488 20 5 IGBDHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911919 721536050 /nfs/dbraw/zinc/53/60/50/721536050.db2.gz XMRKLQOQYZPBBO-DOTOQJQBSA-N 0 3 439.447 3.028 20 5 IGBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869442 721068338 /nfs/dbraw/zinc/06/83/38/721068338.db2.gz STAAZFUJFQDCAG-SJORKVTESA-N 0 3 440.891 3.066 20 5 IGBDHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911922 721536161 /nfs/dbraw/zinc/53/61/61/721536161.db2.gz XMRKLQOQYZPBBO-NVXWUHKLSA-N 0 3 439.447 3.028 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164764850 721154114 /nfs/dbraw/zinc/15/41/14/721154114.db2.gz IEAGSJNWQKLNMS-JKSUJKDBSA-N 0 3 426.908 3.488 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164760146 721239899 /nfs/dbraw/zinc/23/98/99/721239899.db2.gz CPXABQLIAWACDN-DLBZAZTESA-N 0 3 426.908 3.488 20 5 IGBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869433 721068870 /nfs/dbraw/zinc/06/88/70/721068870.db2.gz STAAZFUJFQDCAG-DLBZAZTESA-N 0 3 440.891 3.066 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164764846 721152742 /nfs/dbraw/zinc/15/27/42/721152742.db2.gz IEAGSJNWQKLNMS-HZPDHXFCSA-N 0 3 426.908 3.488 20 5 IGBDHN CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164620240 719057302 /nfs/dbraw/zinc/05/73/02/719057302.db2.gz FROBMPRAQILXPT-JKSUJKDBSA-N 0 3 445.907 3.316 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868625 721068412 /nfs/dbraw/zinc/06/84/12/721068412.db2.gz OUQXNGPVNRAOEB-HOTGVXAUSA-N 0 3 440.891 3.066 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868624 721068923 /nfs/dbraw/zinc/06/89/23/721068923.db2.gz OUQXNGPVNRAOEB-CVEARBPZSA-N 0 3 440.891 3.066 20 5 IGBDHN Cc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866965 721120744 /nfs/dbraw/zinc/12/07/44/721120744.db2.gz VPNHJIDUSGXSQH-SFTDATJTSA-N 0 3 446.511 3.235 20 5 IGBDHN CCc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771401 721216286 /nfs/dbraw/zinc/21/62/86/721216286.db2.gz PLIRBUHSNPVTLT-UXHICEINSA-N 0 3 447.543 3.306 20 5 IGBDHN CCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771399 721216299 /nfs/dbraw/zinc/21/62/99/721216299.db2.gz PLIRBUHSNPVTLT-PMACEKPBSA-N 0 3 447.543 3.306 20 5 IGBDHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879016 721159042 /nfs/dbraw/zinc/15/90/42/721159042.db2.gz RGZDWNBINZKBTR-FGZHOGPDSA-N 0 3 446.511 3.235 20 5 IGBDHN CCc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771406 721216247 /nfs/dbraw/zinc/21/62/47/721216247.db2.gz PLIRBUHSNPVTLT-WOJBJXKFSA-N 0 3 447.543 3.306 20 5 IGBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164768072 721241838 /nfs/dbraw/zinc/24/18/38/721241838.db2.gz XSGQSLRIFSNRNY-RBUKOAKNSA-N 0 3 436.491 3.488 20 5 IGBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164985043 722139204 /nfs/dbraw/zinc/13/92/04/722139204.db2.gz YXZSYXONIRTMHA-OFNKIYASSA-N 0 3 446.511 3.174 20 5 IGBDHN CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164620231 719056830 /nfs/dbraw/zinc/05/68/30/719056830.db2.gz FROBMPRAQILXPT-HOTGVXAUSA-N 0 3 445.907 3.316 20 5 IGBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869439 721068853 /nfs/dbraw/zinc/06/88/53/721068853.db2.gz STAAZFUJFQDCAG-IRXDYDNUSA-N 0 3 440.891 3.066 20 5 IGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870506 721190276 /nfs/dbraw/zinc/19/02/76/721190276.db2.gz VIQQAFGMLFCRQX-DLBZAZTESA-N 0 3 440.891 3.066 20 5 IGBDHN Cc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773371 721173392 /nfs/dbraw/zinc/17/33/92/721173392.db2.gz WVBCCNOHFNPVPW-UXHICEINSA-N 0 3 433.516 3.052 20 5 IGBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164768065 721241226 /nfs/dbraw/zinc/24/12/26/721241226.db2.gz XSGQSLRIFSNRNY-MOPGFXCFSA-N 0 3 436.491 3.488 20 5 IGBDHN