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-])c1cccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164706279 719902777 /nfs/dbraw/zinc/90/27/77/719902777.db2.gz GXIYRFUHRGONFA-UHFFFAOYSA-N 1 1 425.514 3.471 20 5 IGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164839806 720598015 /nfs/dbraw/zinc/59/80/15/720598015.db2.gz OQQGSTXZSYKAHH-KQOSPKRVSA-N 1 1 439.564 3.096 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870510 721193364 /nfs/dbraw/zinc/19/33/64/721193364.db2.gz VIQQAFGMLFCRQX-IRXDYDNUSA-N 1 1 440.891 3.066 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781960 721427155 /nfs/dbraw/zinc/42/71/55/721427155.db2.gz DWDNPLVJCFLNFU-DTORHVGOSA-N 1 1 434.831 3.082 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781960 721427159 /nfs/dbraw/zinc/42/71/59/721427159.db2.gz DWDNPLVJCFLNFU-DTORHVGOSA-N 1 1 434.831 3.082 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164786576 721450062 /nfs/dbraw/zinc/45/00/62/721450062.db2.gz MZFNCTKCWPOIOK-GOSISDBHSA-N 1 1 438.956 3.377 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164788505 721462287 /nfs/dbraw/zinc/46/22/87/721462287.db2.gz SYRACPMGYFZWOI-SFHVURJKSA-N 1 1 443.548 3.205 20 5 IGBDMO COc1cc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1[N+](=O)[O-] ZINC001164952433 722017989 /nfs/dbraw/zinc/01/79/89/722017989.db2.gz KBQKZYXGGWYAFH-UHFFFAOYSA-N 1 1 434.500 3.434 20 5 IGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971930 722114085 /nfs/dbraw/zinc/11/40/85/722114085.db2.gz DTWOLPLZZAUVEN-GDBMZVCRSA-N 1 1 438.315 3.419 20 5 IGBDMO CSc1nc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164650537 719312013 /nfs/dbraw/zinc/31/20/13/719312013.db2.gz ZBNAEPORCAWNNM-UHFFFAOYSA-N 1 1 425.946 3.162 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164813097 720074215 /nfs/dbraw/zinc/07/42/15/720074215.db2.gz SMDLUMNNCIVUOQ-CRAIPNDOSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164805873 720090042 /nfs/dbraw/zinc/09/00/42/720090042.db2.gz AIFZXTHCYZQYJV-KBXCAEBGSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164711019 720100961 /nfs/dbraw/zinc/10/09/61/720100961.db2.gz NARRYSVDNZLLGQ-FQEVSTJZSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164816928 720189287 /nfs/dbraw/zinc/18/92/87/720189287.db2.gz NTIVWFNFJROCQT-WZONZLPQSA-N 1 1 441.507 3.376 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164844540 720676866 /nfs/dbraw/zinc/67/68/66/720676866.db2.gz SVWBBDSTXXSBQR-GOSISDBHSA-N 1 1 427.461 3.158 20 5 IGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748160 720858963 /nfs/dbraw/zinc/85/89/63/720858963.db2.gz KUPQTKSBBYBETL-CZTZKLFOSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164750447 720871830 /nfs/dbraw/zinc/87/18/30/720871830.db2.gz JCUXEHAQRSQFJA-ZJSXRUAMSA-N 1 1 437.544 3.448 20 5 IGBDMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164750439 720872037 /nfs/dbraw/zinc/87/20/37/720872037.db2.gz JCUXEHAQRSQFJA-URXFXBBRSA-N 1 1 437.544 3.448 20 5 IGBDMO COc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1[N+](=O)[O-] ZINC001164860069 720964310 /nfs/dbraw/zinc/96/43/10/720964310.db2.gz POGCCUBHBXZOMS-CQSZACIVSA-N 1 1 425.493 3.165 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164803341 721583009 /nfs/dbraw/zinc/58/30/09/721583009.db2.gz HOLVCIXHQPUKMC-LMNJBCLMSA-N 1 1 427.505 3.040 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164803341 721583011 /nfs/dbraw/zinc/58/30/11/721583011.db2.gz HOLVCIXHQPUKMC-LMNJBCLMSA-N 1 1 427.505 3.040 20 5 IGBDMO COC(=O)c1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001164693856 719806555 /nfs/dbraw/zinc/80/65/55/719806555.db2.gz RUGZQWAFXXYJJJ-UHFFFAOYSA-N 1 1 431.518 3.176 20 5 IGBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695310 719891518 /nfs/dbraw/zinc/89/15/18/719891518.db2.gz MWHWZPOPWDMRRH-UHFFFAOYSA-N 1 1 425.514 3.471 20 5 IGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695676 719891603 /nfs/dbraw/zinc/89/16/03/719891603.db2.gz QOBUMJSZNDCXNZ-UHFFFAOYSA-N 1 1 425.514 3.471 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164711525 720102692 /nfs/dbraw/zinc/10/26/92/720102692.db2.gz QJEHRIXXTXBHRA-KRWDZBQOSA-N 1 1 446.939 3.249 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711120 720105060 /nfs/dbraw/zinc/10/50/60/720105060.db2.gz OLMJATNYTKKWHA-HXUWFJFHSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714112 720113689 /nfs/dbraw/zinc/11/36/89/720113689.db2.gz ABAIGSPSDNCMHM-HXUWFJFHSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164816927 720188291 /nfs/dbraw/zinc/18/82/91/720188291.db2.gz NTIVWFNFJROCQT-MBSDFSHPSA-N 1 1 441.507 3.376 20 5 IGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725286 720340615 /nfs/dbraw/zinc/34/06/15/720340615.db2.gz NIRXBFFDTLWWCF-JKSUJKDBSA-N 1 1 431.880 3.068 20 5 IGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745756 720838202 /nfs/dbraw/zinc/83/82/02/720838202.db2.gz NESDWGBJVKGLSX-SFHLNBCPSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868627 721068661 /nfs/dbraw/zinc/06/86/61/721068661.db2.gz OUQXNGPVNRAOEB-JKSUJKDBSA-N 1 1 440.891 3.066 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164764840 721153737 /nfs/dbraw/zinc/15/37/37/721153737.db2.gz IEAGSJNWQKLNMS-CVEARBPZSA-N 1 1 426.908 3.488 20 5 IGBDMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879014 721158985 /nfs/dbraw/zinc/15/89/85/721158985.db2.gz RGZDWNBINZKBTR-FCHUYYIVSA-N 1 1 446.511 3.235 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1 ZINC001164777025 721333440 /nfs/dbraw/zinc/33/34/40/721333440.db2.gz KKZRXHOUWHVXCZ-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1 ZINC001164777025 721333447 /nfs/dbraw/zinc/33/34/47/721333447.db2.gz KKZRXHOUWHVXCZ-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164778382 721333869 /nfs/dbraw/zinc/33/38/69/721333869.db2.gz UZCAQRQDQVBUMC-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164778382 721333876 /nfs/dbraw/zinc/33/38/76/721333876.db2.gz UZCAQRQDQVBUMC-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1F ZINC001164787452 721433172 /nfs/dbraw/zinc/43/31/72/721433172.db2.gz RDDLOAZTFQECEN-HUUCEWRRSA-N 1 1 426.477 3.216 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164805874 720089691 /nfs/dbraw/zinc/08/96/91/720089691.db2.gz AIFZXTHCYZQYJV-KDOFPFPSSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164805894 720093908 /nfs/dbraw/zinc/09/39/08/720093908.db2.gz ALUMQXXKZVWAMS-QVKFZJNVSA-N 1 1 431.924 3.376 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164807968 720098204 /nfs/dbraw/zinc/09/82/04/720098204.db2.gz GSIIBVVSCCBWRI-KSSFIOAISA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164711526 720102038 /nfs/dbraw/zinc/10/20/38/720102038.db2.gz QJEHRIXXTXBHRA-QGZVFWFLSA-N 1 1 446.939 3.249 20 5 IGBDMO CCOc1nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164710855 720132750 /nfs/dbraw/zinc/13/27/50/720132750.db2.gz DXGNGOTXCOVPCN-LJQANCHMSA-N 1 1 441.532 3.291 20 5 IGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725284 720340886 /nfs/dbraw/zinc/34/08/86/720340886.db2.gz NIRXBFFDTLWWCF-HZPDHXFCSA-N 1 1 431.880 3.068 20 5 IGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164869487 721064543 /nfs/dbraw/zinc/06/45/43/721064543.db2.gz SYBLVLHUZDVKLH-LSDHHAIUSA-N 1 1 439.850 3.063 20 5 IGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869482 721072774 /nfs/dbraw/zinc/07/27/74/721072774.db2.gz SXNRWIGLHHAPNP-HZPDHXFCSA-N 1 1 439.850 3.063 20 5 IGBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164887689 721407883 /nfs/dbraw/zinc/40/78/83/721407883.db2.gz MFRLZURXEVFUKW-LIRRHRJNSA-N 1 1 444.363 3.062 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164784472 721453304 /nfs/dbraw/zinc/45/33/04/721453304.db2.gz FNPQSIIOJGTMPY-QGZVFWFLSA-N 1 1 438.956 3.377 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164783667 721458546 /nfs/dbraw/zinc/45/85/46/721458546.db2.gz FFSIYUWVILFHOO-LJQANCHMSA-N 1 1 448.564 3.041 20 5 IGBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164911463 721538137 /nfs/dbraw/zinc/53/81/37/721538137.db2.gz WTDRGOPJOGLWSZ-JSGCOSHPSA-N 1 1 439.900 3.241 20 5 IGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164909004 721755681 /nfs/dbraw/zinc/75/56/81/721755681.db2.gz BUNWIUQFCUWMIB-UHFFFAOYSA-N 1 1 429.864 3.064 20 5 IGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001164909004 721755684 /nfs/dbraw/zinc/75/56/84/721755684.db2.gz BUNWIUQFCUWMIB-UHFFFAOYSA-N 1 1 429.864 3.064 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021618 721818049 /nfs/dbraw/zinc/81/80/49/721818049.db2.gz FGSZZRFFLBQENH-ZLGUVYLKSA-N 1 1 439.516 3.298 20 5 IGBDMO COC(=O)c1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692033 719809803 /nfs/dbraw/zinc/80/98/03/719809803.db2.gz FFULLOBFJHVGHE-UHFFFAOYSA-N 1 1 431.518 3.176 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164813099 720073937 /nfs/dbraw/zinc/07/39/37/720073937.db2.gz SMDLUMNNCIVUOQ-QAPCUYQASA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164805875 720090581 /nfs/dbraw/zinc/09/05/81/720090581.db2.gz AIFZXTHCYZQYJV-KSSFIOAISA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2 ZINC001164710238 720095785 /nfs/dbraw/zinc/09/57/85/720095785.db2.gz HUDGZNKPTYIGOE-KRWDZBQOSA-N 1 1 446.939 3.249 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164713602 720130378 /nfs/dbraw/zinc/13/03/78/720130378.db2.gz SQEQXSFQGNNVPE-SFHVURJKSA-N 1 1 436.516 3.374 20 5 IGBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751508 720870890 /nfs/dbraw/zinc/87/08/90/720870890.db2.gz KOFMFYMGUNCIKL-URXFXBBRSA-N 1 1 437.544 3.448 20 5 IGBDMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879018 721159784 /nfs/dbraw/zinc/15/97/84/721159784.db2.gz RGZDWNBINZKBTR-VXKWHMMOSA-N 1 1 446.511 3.235 20 5 IGBDMO Cc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762053 721214095 /nfs/dbraw/zinc/21/40/95/721214095.db2.gz CEBGNESCKJLJNB-WOJBJXKFSA-N 1 1 433.516 3.052 20 5 IGBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894452 721397766 /nfs/dbraw/zinc/39/77/66/721397766.db2.gz YDTJTFWGPSACGV-KUHUBIRLSA-N 1 1 444.363 3.062 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC001164785675 721461352 /nfs/dbraw/zinc/46/13/52/721461352.db2.gz MOWMTQICXMJZAQ-FQEVSTJZSA-N 1 1 432.565 3.341 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898068 721522694 /nfs/dbraw/zinc/52/26/94/721522694.db2.gz HPLQNMPTDHGGBZ-YPMHNXCESA-N 1 1 428.251 3.173 20 5 IGBDMO Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164905079 721584088 /nfs/dbraw/zinc/58/40/88/721584088.db2.gz RZJPEBFXLIJTLV-SFHVURJKSA-N 1 1 438.866 3.479 20 5 IGBDMO COc1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904098 721701707 /nfs/dbraw/zinc/70/17/07/721701707.db2.gz CYPNALVUDYARKV-HXUWFJFHSA-N 1 1 433.459 3.440 20 5 IGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964901 722054820 /nfs/dbraw/zinc/05/48/20/722054820.db2.gz ZHCPGQCLQFGXSV-UHFFFAOYSA-N 1 1 431.924 3.466 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164806380 720094079 /nfs/dbraw/zinc/09/40/79/720094079.db2.gz BTFZPABSRLCNTO-YCRPNKLZSA-N 1 1 431.924 3.376 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728692 720444158 /nfs/dbraw/zinc/44/41/58/720444158.db2.gz FZGMTTPNNQDGRY-RYUDHWBXSA-N 1 1 428.802 3.305 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728692 720444162 /nfs/dbraw/zinc/44/41/62/720444162.db2.gz FZGMTTPNNQDGRY-RYUDHWBXSA-N 1 1 428.802 3.305 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869436 721068081 /nfs/dbraw/zinc/06/80/81/721068081.db2.gz STAAZFUJFQDCAG-IAGOWNOFSA-N 1 1 440.891 3.066 20 5 IGBDMO Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866964 721121835 /nfs/dbraw/zinc/12/18/35/721121835.db2.gz VPNHJIDUSGXSQH-RTWAWAEBSA-N 1 1 446.511 3.235 20 5 IGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164886691 721395845 /nfs/dbraw/zinc/39/58/45/721395845.db2.gz FLPSVCXZRCPWBW-HYBUGGRVSA-N 1 1 439.560 3.217 20 5 IGBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164887687 721408169 /nfs/dbraw/zinc/40/81/69/721408169.db2.gz MFRLZURXEVFUKW-IFXJQAMLSA-N 1 1 444.363 3.062 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC001164785677 721461483 /nfs/dbraw/zinc/46/14/83/721461483.db2.gz MOWMTQICXMJZAQ-HXUWFJFHSA-N 1 1 432.565 3.341 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795439 721497882 /nfs/dbraw/zinc/49/78/82/721497882.db2.gz HAOWWMNASNWMRL-UHFFFAOYSA-N 1 1 439.516 3.443 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900498 721516284 /nfs/dbraw/zinc/51/62/84/721516284.db2.gz RLLQAWOBNGTZAX-JSGCOSHPSA-N 1 1 439.900 3.241 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898055 721522875 /nfs/dbraw/zinc/52/28/75/721522875.db2.gz HPLQNMPTDHGGBZ-AAEUAGOBSA-N 1 1 428.251 3.173 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898064 721523132 /nfs/dbraw/zinc/52/31/32/721523132.db2.gz HPLQNMPTDHGGBZ-DGCLKSJQSA-N 1 1 428.251 3.173 20 5 IGBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906019 721551929 /nfs/dbraw/zinc/55/19/29/721551929.db2.gz IIQWTMCIHCPOGR-CWHLKURSSA-N 1 1 427.480 3.003 20 5 IGBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906026 721551984 /nfs/dbraw/zinc/55/19/84/721551984.db2.gz IIQWTMCIHCPOGR-KQPGTDLCSA-N 1 1 427.480 3.003 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986440 722107984 /nfs/dbraw/zinc/10/79/84/722107984.db2.gz ZAVHUFCFMCNJQV-YOEHRIQHSA-N 1 1 438.315 3.419 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164715558 720126605 /nfs/dbraw/zinc/12/66/05/720126605.db2.gz HXDXTRFJXKHUIS-SFHVURJKSA-N 1 1 436.516 3.374 20 5 IGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836895 720730104 /nfs/dbraw/zinc/73/01/04/720730104.db2.gz HWTPOPZQZHLJQR-GOSISDBHSA-N 1 1 440.500 3.036 20 5 IGBDMO COc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776846 721347953 /nfs/dbraw/zinc/34/79/53/721347953.db2.gz DHQMTSLOAJFIGU-JOCHJYFZSA-N 1 1 445.520 3.031 20 5 IGBDMO COc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776846 721347956 /nfs/dbraw/zinc/34/79/56/721347956.db2.gz DHQMTSLOAJFIGU-JOCHJYFZSA-N 1 1 445.520 3.031 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164786156 721360917 /nfs/dbraw/zinc/36/09/17/721360917.db2.gz WPSHIRLOBFSJLA-JOCHJYFZSA-N 1 1 440.504 3.195 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164786156 721360922 /nfs/dbraw/zinc/36/09/22/721360922.db2.gz WPSHIRLOBFSJLA-JOCHJYFZSA-N 1 1 440.504 3.195 20 5 IGBDMO CCOc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1[N+](=O)[O-] ZINC001164790255 721463544 /nfs/dbraw/zinc/46/35/44/721463544.db2.gz ZWWNIPWOVMJMSW-IBGZPJMESA-N 1 1 448.564 3.122 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898066 721522586 /nfs/dbraw/zinc/52/25/86/721522586.db2.gz HPLQNMPTDHGGBZ-WCQYABFASA-N 1 1 428.251 3.173 20 5 IGBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906600 721708386 /nfs/dbraw/zinc/70/83/86/721708386.db2.gz NCYHKPWKFDZCFQ-SFHVURJKSA-N 1 1 439.850 3.014 20 5 IGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971931 722113545 /nfs/dbraw/zinc/11/35/45/722113545.db2.gz DTWOLPLZZAUVEN-GOEBONIOSA-N 1 1 438.315 3.419 20 5 IGBDMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164706876 719904840 /nfs/dbraw/zinc/90/48/40/719904840.db2.gz LGHOQBVQTMKSFR-UHFFFAOYSA-N 1 1 446.529 3.099 20 5 IGBDMO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164706876 719904845 /nfs/dbraw/zinc/90/48/45/719904845.db2.gz LGHOQBVQTMKSFR-UHFFFAOYSA-N 1 1 446.529 3.099 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164805896 720094225 /nfs/dbraw/zinc/09/42/25/720094225.db2.gz ALUMQXXKZVWAMS-YCRPNKLZSA-N 1 1 431.924 3.376 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164815091 720171580 /nfs/dbraw/zinc/17/15/80/720171580.db2.gz IAQMDGNFZRBKNM-SJKOYZFVSA-N 1 1 449.861 3.242 20 5 IGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840279 720618185 /nfs/dbraw/zinc/61/81/85/720618185.db2.gz PRHRYCYKOFAUQE-GUDVDZBRSA-N 1 1 428.537 3.351 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164844834 720693127 /nfs/dbraw/zinc/69/31/27/720693127.db2.gz VIOKCWSGKOVKSN-KRWDZBQOSA-N 1 1 432.908 3.142 20 5 IGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc21 ZINC001164743303 720826588 /nfs/dbraw/zinc/82/65/88/720826588.db2.gz RZANOPDPYDFIGP-DBXWQHBBSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870508 721190255 /nfs/dbraw/zinc/19/02/55/721190255.db2.gz VIQQAFGMLFCRQX-IAGOWNOFSA-N 1 1 440.891 3.066 20 5 IGBDMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164886693 721395173 /nfs/dbraw/zinc/39/51/73/721395173.db2.gz FLPSVCXZRCPWBW-RDPSFJRHSA-N 1 1 439.560 3.217 20 5 IGBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906022 721552130 /nfs/dbraw/zinc/55/21/30/721552130.db2.gz IIQWTMCIHCPOGR-DDRDIHNTSA-N 1 1 427.480 3.003 20 5 IGBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906598 721706547 /nfs/dbraw/zinc/70/65/47/721706547.db2.gz NCYHKPWKFDZCFQ-GOSISDBHSA-N 1 1 439.850 3.014 20 5 IGBDMO CCOc1nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164710854 720130702 /nfs/dbraw/zinc/13/07/02/720130702.db2.gz DXGNGOTXCOVPCN-IBGZPJMESA-N 1 1 441.532 3.291 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728696 720443758 /nfs/dbraw/zinc/44/37/58/720443758.db2.gz FZGMTTPNNQDGRY-VXGBXAGGSA-N 1 1 428.802 3.305 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728696 720443760 /nfs/dbraw/zinc/44/37/60/720443760.db2.gz FZGMTTPNNQDGRY-VXGBXAGGSA-N 1 1 428.802 3.305 20 5 IGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840277 720617619 /nfs/dbraw/zinc/61/76/19/720617619.db2.gz PRHRYCYKOFAUQE-GBESFXJTSA-N 1 1 428.537 3.351 20 5 IGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745754 720838150 /nfs/dbraw/zinc/83/81/50/720838150.db2.gz NESDWGBJVKGLSX-IRFCIJBXSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164866554 721048947 /nfs/dbraw/zinc/04/89/47/721048947.db2.gz FITBHFNTJMUUPT-CVEARBPZSA-N 1 1 439.850 3.063 20 5 IGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164869486 721065464 /nfs/dbraw/zinc/06/54/64/721065464.db2.gz SYBLVLHUZDVKLH-HUUCEWRRSA-N 1 1 439.850 3.063 20 5 IGBDMO CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771404 721215165 /nfs/dbraw/zinc/21/51/65/721215165.db2.gz PLIRBUHSNPVTLT-VQTJNVASSA-N 1 1 447.543 3.306 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1 ZINC001164778682 721345119 /nfs/dbraw/zinc/34/51/19/721345119.db2.gz NRTFFGHQHKJURL-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1 ZINC001164778682 721345124 /nfs/dbraw/zinc/34/51/24/721345124.db2.gz NRTFFGHQHKJURL-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO COc1cc(C)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939789 721925111 /nfs/dbraw/zinc/92/51/11/721925111.db2.gz NCQBIVFFULMUSB-UHFFFAOYSA-N 1 1 426.517 3.487 20 5 IGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164620226 719057024 /nfs/dbraw/zinc/05/70/24/719057024.db2.gz FROBMPRAQILXPT-CVEARBPZSA-N 1 1 445.907 3.316 20 5 IGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164701027 719817048 /nfs/dbraw/zinc/81/70/48/719817048.db2.gz NROMJORIYRAKSE-UHFFFAOYSA-N 1 1 431.518 3.176 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164810224 720201355 /nfs/dbraw/zinc/20/13/55/720201355.db2.gz AOPGDHQXTUOGTG-YCRPNKLZSA-N 1 1 431.924 3.376 20 5 IGBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CCC2 ZINC001164813526 720218043 /nfs/dbraw/zinc/21/80/43/720218043.db2.gz NNJWIEOFTOERAT-UHFFFAOYSA-N 1 1 441.319 3.104 20 5 IGBDMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164749118 720870920 /nfs/dbraw/zinc/87/09/20/720870920.db2.gz GXVLEXDAOWIVQF-QPPBQGQZSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749152 720878398 /nfs/dbraw/zinc/87/83/98/720878398.db2.gz HJDNVARWCRGQDY-AUSIDOKSSA-N 1 1 441.507 3.279 20 5 IGBDMO CSc1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164859041 720970535 /nfs/dbraw/zinc/97/05/35/720970535.db2.gz KOIFCPXZEIJJLQ-LLVKDONJSA-N 1 1 425.946 3.378 20 5 IGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164869484 721064280 /nfs/dbraw/zinc/06/42/80/721064280.db2.gz SYBLVLHUZDVKLH-CABCVRRESA-N 1 1 439.850 3.063 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164771891 721203056 /nfs/dbraw/zinc/20/30/56/721203056.db2.gz RTJAGOGDRCZKDP-HOTGVXAUSA-N 1 1 426.908 3.488 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164760150 721240830 /nfs/dbraw/zinc/24/08/30/721240830.db2.gz CPXABQLIAWACDN-IRXDYDNUSA-N 1 1 426.908 3.488 20 5 IGBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911926 721535881 /nfs/dbraw/zinc/53/58/81/721535881.db2.gz XMRKLQOQYZPBBO-WBVHZDCISA-N 1 1 439.447 3.028 20 5 IGBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964882 722055159 /nfs/dbraw/zinc/05/51/59/722055159.db2.gz YZQQYCOJULSXAE-UHFFFAOYSA-N 1 1 434.500 3.052 20 5 IGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725280 720341289 /nfs/dbraw/zinc/34/12/89/720341289.db2.gz NIRXBFFDTLWWCF-CVEARBPZSA-N 1 1 431.880 3.068 20 5 IGBDMO COC(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164842774 720678335 /nfs/dbraw/zinc/67/83/35/720678335.db2.gz NEDNZVBSKOTTID-IBGZPJMESA-N 1 1 440.500 3.036 20 5 IGBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751513 720871092 /nfs/dbraw/zinc/87/10/92/720871092.db2.gz KOFMFYMGUNCIKL-ZJSXRUAMSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164869485 721065085 /nfs/dbraw/zinc/06/50/85/721065085.db2.gz SYBLVLHUZDVKLH-GJZGRUSLSA-N 1 1 439.850 3.063 20 5 IGBDMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762051 721213756 /nfs/dbraw/zinc/21/37/56/721213756.db2.gz CEBGNESCKJLJNB-UXHICEINSA-N 1 1 433.516 3.052 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714106 720113539 /nfs/dbraw/zinc/11/35/39/720113539.db2.gz ABAIGSPSDNCMHM-FQEVSTJZSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164714938 720114977 /nfs/dbraw/zinc/11/49/77/720114977.db2.gz FSIFEZRBMKBPLQ-LJQANCHMSA-N 1 1 441.532 3.209 20 5 IGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc21 ZINC001164743305 720826863 /nfs/dbraw/zinc/82/68/63/720826863.db2.gz RZANOPDPYDFIGP-WAOWUJCRSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc21 ZINC001164743302 720826943 /nfs/dbraw/zinc/82/69/43/720826943.db2.gz RZANOPDPYDFIGP-BBTUJRGHSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869483 721072190 /nfs/dbraw/zinc/07/21/90/721072190.db2.gz SXNRWIGLHHAPNP-JKSUJKDBSA-N 1 1 439.850 3.063 20 5 IGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869479 721072369 /nfs/dbraw/zinc/07/23/69/721072369.db2.gz SXNRWIGLHHAPNP-CVEARBPZSA-N 1 1 439.850 3.063 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164771893 721204321 /nfs/dbraw/zinc/20/43/21/721204321.db2.gz RTJAGOGDRCZKDP-JKSUJKDBSA-N 1 1 426.908 3.488 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001164778125 721334789 /nfs/dbraw/zinc/33/47/89/721334789.db2.gz USMPLOCHYGBWTP-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001164778125 721334792 /nfs/dbraw/zinc/33/47/92/721334792.db2.gz USMPLOCHYGBWTP-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164887686 721407611 /nfs/dbraw/zinc/40/76/11/721407611.db2.gz MFRLZURXEVFUKW-AUUYWEPGSA-N 1 1 444.363 3.062 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164788503 721462422 /nfs/dbraw/zinc/46/24/22/721462422.db2.gz SYRACPMGYFZWOI-GOSISDBHSA-N 1 1 443.548 3.205 20 5 IGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164794987 721504201 /nfs/dbraw/zinc/50/42/01/721504201.db2.gz GUTHGNFZSLWJJB-UHFFFAOYSA-N 1 1 425.489 3.052 20 5 IGBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911924 721535797 /nfs/dbraw/zinc/53/57/97/721535797.db2.gz XMRKLQOQYZPBBO-RDJZCZTQSA-N 1 1 439.447 3.028 20 5 IGBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164911461 721538384 /nfs/dbraw/zinc/53/83/84/721538384.db2.gz WTDRGOPJOGLWSZ-GXTWGEPZSA-N 1 1 439.900 3.241 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164903562 721695236 /nfs/dbraw/zinc/69/52/36/721695236.db2.gz ACMNCFFUBILCMD-SFHVURJKSA-N 1 1 434.403 3.031 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986434 722108041 /nfs/dbraw/zinc/10/80/41/722108041.db2.gz ZAVHUFCFMCNJQV-PBHICJAKSA-N 1 1 438.315 3.419 20 5 IGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164985041 722138636 /nfs/dbraw/zinc/13/86/36/722138636.db2.gz YXZSYXONIRTMHA-NZQKXSOJSA-N 1 1 446.511 3.174 20 5 IGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164985045 722138900 /nfs/dbraw/zinc/13/89/00/722138900.db2.gz YXZSYXONIRTMHA-REWPJTCUSA-N 1 1 446.511 3.174 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164815089 720171992 /nfs/dbraw/zinc/17/19/92/720171992.db2.gz IAQMDGNFZRBKNM-PXAZEXFGSA-N 1 1 449.861 3.242 20 5 IGBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164745578 720818999 /nfs/dbraw/zinc/81/89/99/720818999.db2.gz WVWUBSCYWMIGKE-GREBRCKQSA-N 1 1 447.543 3.422 20 5 IGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738375 720822848 /nfs/dbraw/zinc/82/28/48/720822848.db2.gz FCNZAJHWTLIRJA-KAGYGMCKSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164745644 720825694 /nfs/dbraw/zinc/82/56/94/720825694.db2.gz XOOQPPPFRXMULA-VAMGGRTRSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751507 720871009 /nfs/dbraw/zinc/87/10/09/720871009.db2.gz KOFMFYMGUNCIKL-QPPBQGQZSA-N 1 1 437.544 3.448 20 5 IGBDMO CCOC(=O)c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164960641 722024206 /nfs/dbraw/zinc/02/42/06/722024206.db2.gz LZRGLAXOEFNWIC-UHFFFAOYSA-N 1 1 425.489 3.054 20 5 IGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164985039 722139198 /nfs/dbraw/zinc/13/91/98/722139198.db2.gz YXZSYXONIRTMHA-NFBKMPQASA-N 1 1 446.511 3.174 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cnc2c1 ZINC001164695697 719888544 /nfs/dbraw/zinc/88/85/44/719888544.db2.gz RJVAYRKDAULQJI-UHFFFAOYSA-N 1 1 425.514 3.471 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164719440 720113596 /nfs/dbraw/zinc/11/35/96/720113596.db2.gz WWWXZJHCCRDSJJ-FQEVSTJZSA-N 1 1 448.527 3.441 20 5 IGBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725282 720340114 /nfs/dbraw/zinc/34/01/14/720340114.db2.gz NIRXBFFDTLWWCF-HOTGVXAUSA-N 1 1 431.880 3.068 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164841204 720699008 /nfs/dbraw/zinc/69/90/08/720699008.db2.gz IFRLIMMHTMRKHN-SFHVURJKSA-N 1 1 432.908 3.142 20 5 IGBDMO CSc1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164859043 720969133 /nfs/dbraw/zinc/96/91/33/720969133.db2.gz KOIFCPXZEIJJLQ-NSHDSACASA-N 1 1 425.946 3.378 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868626 721068103 /nfs/dbraw/zinc/06/81/03/721068103.db2.gz OUQXNGPVNRAOEB-HZPDHXFCSA-N 1 1 440.891 3.066 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870513 721193891 /nfs/dbraw/zinc/19/38/91/721193891.db2.gz VIQQAFGMLFCRQX-SJORKVTESA-N 1 1 440.891 3.066 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164776859 721353408 /nfs/dbraw/zinc/35/34/08/721353408.db2.gz DOJIFOMWKIPPMB-QFIPXVFZSA-N 1 1 429.521 3.330 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164776859 721353412 /nfs/dbraw/zinc/35/34/12/721353412.db2.gz DOJIFOMWKIPPMB-QFIPXVFZSA-N 1 1 429.521 3.330 20 5 IGBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894454 721397425 /nfs/dbraw/zinc/39/74/25/721397425.db2.gz YDTJTFWGPSACGV-LIRRHRJNSA-N 1 1 444.363 3.062 20 5 IGBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1F ZINC001164787447 721433383 /nfs/dbraw/zinc/43/33/83/721433383.db2.gz RDDLOAZTFQECEN-GASCZTMLSA-N 1 1 426.477 3.216 20 5 IGBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1F ZINC001164787447 721433385 /nfs/dbraw/zinc/43/33/85/721433385.db2.gz RDDLOAZTFQECEN-GASCZTMLSA-N 1 1 426.477 3.216 20 5 IGBDMO O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)ccc1F ZINC001164787449 721433620 /nfs/dbraw/zinc/43/36/20/721433620.db2.gz RDDLOAZTFQECEN-GJZGRUSLSA-N 1 1 426.477 3.216 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164803339 721583096 /nfs/dbraw/zinc/58/30/96/721583096.db2.gz HOLVCIXHQPUKMC-HFSMHLIXSA-N 1 1 427.505 3.040 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164803339 721583097 /nfs/dbraw/zinc/58/30/97/721583097.db2.gz HOLVCIXHQPUKMC-HFSMHLIXSA-N 1 1 427.505 3.040 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698988 719895427 /nfs/dbraw/zinc/89/54/27/719895427.db2.gz VGGUFSBURHDESJ-UHFFFAOYSA-N 1 1 446.529 3.099 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698988 719895428 /nfs/dbraw/zinc/89/54/28/719895428.db2.gz VGGUFSBURHDESJ-UHFFFAOYSA-N 1 1 446.529 3.099 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164805876 720090317 /nfs/dbraw/zinc/09/03/17/720090317.db2.gz AIFZXTHCYZQYJV-RDTXWAMCSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164713891 720154012 /nfs/dbraw/zinc/15/40/12/720154012.db2.gz UAPRTEXSAONJLK-LJQANCHMSA-N 1 1 448.527 3.441 20 5 IGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164839117 720523972 /nfs/dbraw/zinc/52/39/72/720523972.db2.gz SYGLOUKJFNMLTH-IHRRRGAJSA-N 1 1 440.335 3.266 20 5 IGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc21 ZINC001164743304 720826608 /nfs/dbraw/zinc/82/66/08/720826608.db2.gz RZANOPDPYDFIGP-LVCYWYKZSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773370 721173813 /nfs/dbraw/zinc/17/38/13/721173813.db2.gz WVBCCNOHFNPVPW-PMACEKPBSA-N 1 1 433.516 3.052 20 5 IGBDMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762050 721214606 /nfs/dbraw/zinc/21/46/06/721214606.db2.gz CEBGNESCKJLJNB-PMACEKPBSA-N 1 1 433.516 3.052 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001164778123 721334280 /nfs/dbraw/zinc/33/42/80/721334280.db2.gz USMPLOCHYGBWTP-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001164778123 721334289 /nfs/dbraw/zinc/33/42/89/721334289.db2.gz USMPLOCHYGBWTP-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164777787 721334396 /nfs/dbraw/zinc/33/43/96/721334396.db2.gz QNCUYGQKVDJIOH-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164777787 721334404 /nfs/dbraw/zinc/33/44/04/721334404.db2.gz QNCUYGQKVDJIOH-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164785239 721450711 /nfs/dbraw/zinc/45/07/11/721450711.db2.gz HRGWFYMBKNJTNO-GOSISDBHSA-N 1 1 438.956 3.377 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021615 721818104 /nfs/dbraw/zinc/81/81/04/721818104.db2.gz FGSZZRFFLBQENH-DQLDELGASA-N 1 1 439.516 3.298 20 5 IGBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164966272 722061227 /nfs/dbraw/zinc/06/12/27/722061227.db2.gz PNZHZHKQJIBTRV-UHFFFAOYSA-N 1 1 434.500 3.052 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164713601 720129954 /nfs/dbraw/zinc/12/99/54/720129954.db2.gz SQEQXSFQGNNVPE-GOSISDBHSA-N 1 1 436.516 3.374 20 5 IGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839119 720524352 /nfs/dbraw/zinc/52/43/52/720524352.db2.gz SYGLOUKJFNMLTH-MELADBBJSA-N 1 1 440.335 3.266 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164764843 721154265 /nfs/dbraw/zinc/15/42/65/721154265.db2.gz IEAGSJNWQKLNMS-HOTGVXAUSA-N 1 1 426.908 3.488 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164771890 721203953 /nfs/dbraw/zinc/20/39/53/721203953.db2.gz RTJAGOGDRCZKDP-CVEARBPZSA-N 1 1 426.908 3.488 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164768074 721242556 /nfs/dbraw/zinc/24/25/56/721242556.db2.gz XSGQSLRIFSNRNY-RTBURBONSA-N 1 1 436.491 3.488 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164777784 721334638 /nfs/dbraw/zinc/33/46/38/721334638.db2.gz QNCUYGQKVDJIOH-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164777784 721334642 /nfs/dbraw/zinc/33/46/42/721334642.db2.gz QNCUYGQKVDJIOH-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1 ZINC001164778681 721344863 /nfs/dbraw/zinc/34/48/63/721344863.db2.gz NRTFFGHQHKJURL-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1 ZINC001164778681 721344867 /nfs/dbraw/zinc/34/48/67/721344867.db2.gz NRTFFGHQHKJURL-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164786167 721360572 /nfs/dbraw/zinc/36/05/72/721360572.db2.gz WPSHIRLOBFSJLA-QFIPXVFZSA-N 1 1 440.504 3.195 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164786167 721360577 /nfs/dbraw/zinc/36/05/77/721360577.db2.gz WPSHIRLOBFSJLA-QFIPXVFZSA-N 1 1 440.504 3.195 20 5 IGBDMO CCOc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-] ZINC001164786048 721360962 /nfs/dbraw/zinc/36/09/62/721360962.db2.gz VCVJFYPDGKVJPP-QFIPXVFZSA-N 1 1 445.520 3.112 20 5 IGBDMO CCOc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-] ZINC001164786048 721360967 /nfs/dbraw/zinc/36/09/67/721360967.db2.gz VCVJFYPDGKVJPP-QFIPXVFZSA-N 1 1 445.520 3.112 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164784470 721453256 /nfs/dbraw/zinc/45/32/56/721453256.db2.gz FNPQSIIOJGTMPY-KRWDZBQOSA-N 1 1 438.956 3.377 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906035 721712999 /nfs/dbraw/zinc/71/29/99/721712999.db2.gz JLHNPVQTDQDHKQ-GOSISDBHSA-N 1 1 439.850 3.014 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021617 721817934 /nfs/dbraw/zinc/81/79/34/721817934.db2.gz FGSZZRFFLBQENH-ORYQWCPZSA-N 1 1 439.516 3.298 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021616 721818192 /nfs/dbraw/zinc/81/81/92/721818192.db2.gz FGSZZRFFLBQENH-NDXORKPFSA-N 1 1 439.516 3.298 20 5 IGBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165024075 721829294 /nfs/dbraw/zinc/82/92/94/721829294.db2.gz JQOIBYDROSRXJY-DBVUQKKJSA-N 1 1 439.516 3.298 20 5 IGBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164943739 721973262 /nfs/dbraw/zinc/97/32/62/721973262.db2.gz CPPLUOTUJXBLRL-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164943739 721973263 /nfs/dbraw/zinc/97/32/63/721973263.db2.gz CPPLUOTUJXBLRL-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986437 722107981 /nfs/dbraw/zinc/10/79/81/722107981.db2.gz ZAVHUFCFMCNJQV-RHSMWYFYSA-N 1 1 438.315 3.419 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164805893 720094046 /nfs/dbraw/zinc/09/40/46/720094046.db2.gz ALUMQXXKZVWAMS-BTYIYWSLSA-N 1 1 431.924 3.376 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164805895 720094480 /nfs/dbraw/zinc/09/44/80/720094480.db2.gz ALUMQXXKZVWAMS-VFNWGFHPSA-N 1 1 431.924 3.376 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164807970 720097807 /nfs/dbraw/zinc/09/78/07/720097807.db2.gz GSIIBVVSCCBWRI-RDTXWAMCSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164816925 720189364 /nfs/dbraw/zinc/18/93/64/720189364.db2.gz NTIVWFNFJROCQT-JPYJTQIMSA-N 1 1 441.507 3.376 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164758874 720883265 /nfs/dbraw/zinc/88/32/65/720883265.db2.gz ZYWQCWIQZFLUHP-AUSIDOKSSA-N 1 1 441.507 3.279 20 5 IGBDMO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164762052 721213393 /nfs/dbraw/zinc/21/33/93/721213393.db2.gz CEBGNESCKJLJNB-VQTJNVASSA-N 1 1 433.516 3.052 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2 ZINC001164783657 721461336 /nfs/dbraw/zinc/46/13/36/721461336.db2.gz FDLKHSFIRUPESZ-HXUWFJFHSA-N 1 1 432.565 3.341 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164815090 720172163 /nfs/dbraw/zinc/17/21/63/720172163.db2.gz IAQMDGNFZRBKNM-SJCJKPOMSA-N 1 1 449.861 3.242 20 5 IGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738374 720822135 /nfs/dbraw/zinc/82/21/35/720822135.db2.gz FCNZAJHWTLIRJA-CZTZKLFOSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164740214 720824897 /nfs/dbraw/zinc/82/48/97/720824897.db2.gz JODRYTFKHTWTAI-LVCYWYKZSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1ccc(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773373 721174397 /nfs/dbraw/zinc/17/43/97/721174397.db2.gz WVBCCNOHFNPVPW-WOJBJXKFSA-N 1 1 433.516 3.052 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1 ZINC001164777024 721333125 /nfs/dbraw/zinc/33/31/25/721333125.db2.gz KKZRXHOUWHVXCZ-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1 ZINC001164777024 721333131 /nfs/dbraw/zinc/33/31/31/721333131.db2.gz KKZRXHOUWHVXCZ-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164789902 721463577 /nfs/dbraw/zinc/46/35/77/721463577.db2.gz YHMQDBZOLCTNCD-SFHVURJKSA-N 1 1 443.548 3.205 20 5 IGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905987 721692254 /nfs/dbraw/zinc/69/22/54/721692254.db2.gz KOOLVBGKSYVNIF-SFHVURJKSA-N 1 1 438.866 3.479 20 5 IGBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165022420 721839722 /nfs/dbraw/zinc/83/97/22/721839722.db2.gz SLCXIILUBRGVCN-UHFFFAOYSA-N 1 1 431.449 3.016 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2 ZINC001164710247 720095106 /nfs/dbraw/zinc/09/51/06/720095106.db2.gz HUDGZNKPTYIGOE-QGZVFWFLSA-N 1 1 446.939 3.249 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711117 720104066 /nfs/dbraw/zinc/10/40/66/720104066.db2.gz OLMJATNYTKKWHA-FQEVSTJZSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164810219 720202385 /nfs/dbraw/zinc/20/23/85/720202385.db2.gz AOPGDHQXTUOGTG-BTYIYWSLSA-N 1 1 431.924 3.376 20 5 IGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164839121 720524395 /nfs/dbraw/zinc/52/43/95/720524395.db2.gz SYGLOUKJFNMLTH-RDBSUJKOSA-N 1 1 440.335 3.266 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164844835 720692821 /nfs/dbraw/zinc/69/28/21/720692821.db2.gz VIOKCWSGKOVKSN-QGZVFWFLSA-N 1 1 432.908 3.142 20 5 IGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164745642 720825504 /nfs/dbraw/zinc/82/55/04/720825504.db2.gz XOOQPPPFRXMULA-HSALFYBXSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164758879 720883349 /nfs/dbraw/zinc/88/33/49/720883349.db2.gz ZYWQCWIQZFLUHP-XXBNENTESA-N 1 1 441.507 3.279 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164760152 721239598 /nfs/dbraw/zinc/23/95/98/721239598.db2.gz CPXABQLIAWACDN-SJORKVTESA-N 1 1 426.908 3.488 20 5 IGBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894449 721397043 /nfs/dbraw/zinc/39/70/43/721397043.db2.gz YDTJTFWGPSACGV-IFXJQAMLSA-N 1 1 444.363 3.062 20 5 IGBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164887688 721407593 /nfs/dbraw/zinc/40/75/93/721407593.db2.gz MFRLZURXEVFUKW-KUHUBIRLSA-N 1 1 444.363 3.062 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785968 721450714 /nfs/dbraw/zinc/45/07/14/721450714.db2.gz KNVJFIUKLITYEF-GOSISDBHSA-N 1 1 438.956 3.377 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164645947 719307939 /nfs/dbraw/zinc/30/79/39/719307939.db2.gz AKSVRKCQNPULMK-UHFFFAOYSA-N 1 1 425.946 3.162 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728686 720444401 /nfs/dbraw/zinc/44/44/01/720444401.db2.gz FZGMTTPNNQDGRY-NEPJUHHUSA-N 1 1 428.802 3.305 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728686 720444407 /nfs/dbraw/zinc/44/44/07/720444407.db2.gz FZGMTTPNNQDGRY-NEPJUHHUSA-N 1 1 428.802 3.305 20 5 IGBDMO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1 ZINC001164842777 720678733 /nfs/dbraw/zinc/67/87/33/720678733.db2.gz NEDNZVBSKOTTID-LJQANCHMSA-N 1 1 440.500 3.036 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164740211 720825216 /nfs/dbraw/zinc/82/52/16/720825216.db2.gz JODRYTFKHTWTAI-DBXWQHBBSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164749120 720870932 /nfs/dbraw/zinc/87/09/32/720870932.db2.gz GXVLEXDAOWIVQF-URXFXBBRSA-N 1 1 437.544 3.448 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860398 720931352 /nfs/dbraw/zinc/93/13/52/720931352.db2.gz QZONWAHEFCMMGA-NSHDSACASA-N 1 1 425.946 3.378 20 5 IGBDMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879020 721159778 /nfs/dbraw/zinc/15/97/78/721159778.db2.gz RGZDWNBINZKBTR-YADHBBJMSA-N 1 1 446.511 3.235 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164760148 721239937 /nfs/dbraw/zinc/23/99/37/721239937.db2.gz CPXABQLIAWACDN-IAGOWNOFSA-N 1 1 426.908 3.488 20 5 IGBDMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164886694 721395124 /nfs/dbraw/zinc/39/51/24/721395124.db2.gz FLPSVCXZRCPWBW-YKSBVNFPSA-N 1 1 439.560 3.217 20 5 IGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164886684 721395204 /nfs/dbraw/zinc/39/52/04/721395204.db2.gz FLPSVCXZRCPWBW-GBXCKJPGSA-N 1 1 439.560 3.217 20 5 IGBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906029 721551777 /nfs/dbraw/zinc/55/17/77/721551777.db2.gz IIQWTMCIHCPOGR-YKMDAGRBSA-N 1 1 427.480 3.003 20 5 IGBDMO Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164905071 721584211 /nfs/dbraw/zinc/58/42/11/721584211.db2.gz RZJPEBFXLIJTLV-GOSISDBHSA-N 1 1 438.866 3.479 20 5 IGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164620236 719056782 /nfs/dbraw/zinc/05/67/82/719056782.db2.gz FROBMPRAQILXPT-HZPDHXFCSA-N 1 1 445.907 3.316 20 5 IGBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164703438 719816202 /nfs/dbraw/zinc/81/62/02/719816202.db2.gz VKDYNHRVOQBVQO-UHFFFAOYSA-N 1 1 445.549 3.052 20 5 IGBDMO COC(=O)c1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164839876 720696899 /nfs/dbraw/zinc/69/68/99/720696899.db2.gz CKORDHNGADBZAT-SFHVURJKSA-N 1 1 440.500 3.036 20 5 IGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745757 720838037 /nfs/dbraw/zinc/83/80/37/720838037.db2.gz NESDWGBJVKGLSX-SVFBPWRDSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748162 720859310 /nfs/dbraw/zinc/85/93/10/720859310.db2.gz KUPQTKSBBYBETL-KAGYGMCKSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164866557 721048776 /nfs/dbraw/zinc/04/87/76/721048776.db2.gz FITBHFNTJMUUPT-JKSUJKDBSA-N 1 1 439.850 3.063 20 5 IGBDMO CCOc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-] ZINC001164786047 721360079 /nfs/dbraw/zinc/36/00/79/721360079.db2.gz VCVJFYPDGKVJPP-JOCHJYFZSA-N 1 1 445.520 3.112 20 5 IGBDMO CCOc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-] ZINC001164786047 721360084 /nfs/dbraw/zinc/36/00/84/721360084.db2.gz VCVJFYPDGKVJPP-JOCHJYFZSA-N 1 1 445.520 3.112 20 5 IGBDMO COC(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164792522 721493337 /nfs/dbraw/zinc/49/33/37/721493337.db2.gz QBZAMUHXASOEBT-UHFFFAOYSA-N 1 1 425.489 3.052 20 5 IGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@@H]12 ZINC001164805117 721583553 /nfs/dbraw/zinc/58/35/53/721583553.db2.gz KRJVODFABOQWJD-CQOQZXRMSA-N 1 1 446.511 3.315 20 5 IGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@@H]12 ZINC001164805117 721583558 /nfs/dbraw/zinc/58/35/58/721583558.db2.gz KRJVODFABOQWJD-CQOQZXRMSA-N 1 1 446.511 3.315 20 5 IGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@H]12 ZINC001164805124 721583795 /nfs/dbraw/zinc/58/37/95/721583795.db2.gz KRJVODFABOQWJD-ZDXQCDESSA-N 1 1 446.511 3.315 20 5 IGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@H]12 ZINC001164805124 721583796 /nfs/dbraw/zinc/58/37/96/721583796.db2.gz KRJVODFABOQWJD-ZDXQCDESSA-N 1 1 446.511 3.315 20 5 IGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905984 721691971 /nfs/dbraw/zinc/69/19/71/721691971.db2.gz KOOLVBGKSYVNIF-GOSISDBHSA-N 1 1 438.866 3.479 20 5 IGBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001165022162 721838063 /nfs/dbraw/zinc/83/80/63/721838063.db2.gz PVHZRDFIYPOFEW-UHFFFAOYSA-N 1 1 435.912 3.465 20 5 IGBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164946857 721977424 /nfs/dbraw/zinc/97/74/24/721977424.db2.gz LRIPIALIORBIEG-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164946857 721977426 /nfs/dbraw/zinc/97/74/26/721977426.db2.gz LRIPIALIORBIEG-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955889 722020188 /nfs/dbraw/zinc/02/01/88/722020188.db2.gz RFVFBZYSMWHTQS-UHFFFAOYSA-N 1 1 425.489 3.054 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164807967 720097962 /nfs/dbraw/zinc/09/79/62/720097962.db2.gz GSIIBVVSCCBWRI-KDOFPFPSSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164810223 720201410 /nfs/dbraw/zinc/20/14/10/720201410.db2.gz AOPGDHQXTUOGTG-VFNWGFHPSA-N 1 1 431.924 3.376 20 5 IGBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164745581 720819057 /nfs/dbraw/zinc/81/90/57/720819057.db2.gz WVWUBSCYWMIGKE-QMHWCDLVSA-N 1 1 447.543 3.422 20 5 IGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869480 721072483 /nfs/dbraw/zinc/07/24/83/721072483.db2.gz SXNRWIGLHHAPNP-HOTGVXAUSA-N 1 1 439.850 3.063 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164771892 721203374 /nfs/dbraw/zinc/20/33/74/721203374.db2.gz RTJAGOGDRCZKDP-HZPDHXFCSA-N 1 1 426.908 3.488 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2 ZINC001164783651 721461448 /nfs/dbraw/zinc/46/14/48/721461448.db2.gz FDLKHSFIRUPESZ-FQEVSTJZSA-N 1 1 432.565 3.341 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900499 721515943 /nfs/dbraw/zinc/51/59/43/721515943.db2.gz RLLQAWOBNGTZAX-OCCSQVGLSA-N 1 1 439.900 3.241 20 5 IGBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165024079 721829195 /nfs/dbraw/zinc/82/91/95/721829195.db2.gz JQOIBYDROSRXJY-FFZOFVMBSA-N 1 1 439.516 3.298 20 5 IGBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165024086 721829370 /nfs/dbraw/zinc/82/93/70/721829370.db2.gz JQOIBYDROSRXJY-VDGAXYAQSA-N 1 1 439.516 3.298 20 5 IGBDMO CN(C)/C=C/c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696174 719897966 /nfs/dbraw/zinc/89/79/66/719897966.db2.gz AMYDTDRGXFWVBM-VMPITWQZSA-N 1 1 443.573 3.455 20 5 IGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840281 720618687 /nfs/dbraw/zinc/61/86/87/720618687.db2.gz PRHRYCYKOFAUQE-IPMKNSEASA-N 1 1 428.537 3.351 20 5 IGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164745645 720825462 /nfs/dbraw/zinc/82/54/62/720825462.db2.gz XOOQPPPFRXMULA-XUVXKRRUSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866962 721120910 /nfs/dbraw/zinc/12/09/10/721120910.db2.gz VPNHJIDUSGXSQH-LEWJYISDSA-N 1 1 446.511 3.235 20 5 IGBDMO Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866963 721121697 /nfs/dbraw/zinc/12/16/97/721121697.db2.gz VPNHJIDUSGXSQH-NHCUHLMSSA-N 1 1 446.511 3.235 20 5 IGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773372 721173683 /nfs/dbraw/zinc/17/36/83/721173683.db2.gz WVBCCNOHFNPVPW-VQTJNVASSA-N 1 1 433.516 3.052 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164768069 721241891 /nfs/dbraw/zinc/24/18/91/721241891.db2.gz XSGQSLRIFSNRNY-OALUTQOASA-N 1 1 436.491 3.488 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164777371 721339439 /nfs/dbraw/zinc/33/94/39/721339439.db2.gz GMUDYHNGHUAYAH-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164777371 721339442 /nfs/dbraw/zinc/33/94/42/721339442.db2.gz GMUDYHNGHUAYAH-FQEVSTJZSA-N 1 1 435.912 3.367 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164786580 721450328 /nfs/dbraw/zinc/45/03/28/721450328.db2.gz MZFNCTKCWPOIOK-SFHVURJKSA-N 1 1 438.956 3.377 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785969 721450829 /nfs/dbraw/zinc/45/08/29/721450829.db2.gz KNVJFIUKLITYEF-SFHVURJKSA-N 1 1 438.956 3.377 20 5 IGBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911919 721536048 /nfs/dbraw/zinc/53/60/48/721536048.db2.gz XMRKLQOQYZPBBO-DOTOQJQBSA-N 1 1 439.447 3.028 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164806378 720094289 /nfs/dbraw/zinc/09/42/89/720094289.db2.gz BTFZPABSRLCNTO-QVKFZJNVSA-N 1 1 431.924 3.376 20 5 IGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840275 720619266 /nfs/dbraw/zinc/61/92/66/720619266.db2.gz PRHRYCYKOFAUQE-CEXWTWQISA-N 1 1 428.537 3.351 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164758877 720883443 /nfs/dbraw/zinc/88/34/43/720883443.db2.gz ZYWQCWIQZFLUHP-WMZHIEFXSA-N 1 1 441.507 3.279 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860396 720932314 /nfs/dbraw/zinc/93/23/14/720932314.db2.gz QZONWAHEFCMMGA-LLVKDONJSA-N 1 1 425.946 3.378 20 5 IGBDMO COc1cc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1[N+](=O)[O-] ZINC001164860066 720964934 /nfs/dbraw/zinc/96/49/34/720964934.db2.gz POGCCUBHBXZOMS-AWEZNQCLSA-N 1 1 425.493 3.165 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869442 721068332 /nfs/dbraw/zinc/06/83/32/721068332.db2.gz STAAZFUJFQDCAG-SJORKVTESA-N 1 1 440.891 3.066 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781963 721427305 /nfs/dbraw/zinc/42/73/05/721427305.db2.gz DWDNPLVJCFLNFU-IUCAKERBSA-N 1 1 434.831 3.082 20 5 IGBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164789901 721463409 /nfs/dbraw/zinc/46/34/09/721463409.db2.gz YHMQDBZOLCTNCD-GOSISDBHSA-N 1 1 443.548 3.205 20 5 IGBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164911922 721536157 /nfs/dbraw/zinc/53/61/57/721536157.db2.gz XMRKLQOQYZPBBO-NVXWUHKLSA-N 1 1 439.447 3.028 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906038 721712981 /nfs/dbraw/zinc/71/29/81/721712981.db2.gz JLHNPVQTDQDHKQ-SFHVURJKSA-N 1 1 439.850 3.014 20 5 IGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC3)C2)cc1 ZINC001164938701 721927929 /nfs/dbraw/zinc/92/79/29/721927929.db2.gz FAMVPSOHZACQDF-UHFFFAOYSA-N 1 1 432.908 3.061 20 5 IGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971933 722113856 /nfs/dbraw/zinc/11/38/56/722113856.db2.gz DTWOLPLZZAUVEN-ZBFHGGJFSA-N 1 1 438.315 3.419 20 5 IGBDMO CN(C)/C=C\c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696175 719897644 /nfs/dbraw/zinc/89/76/44/719897644.db2.gz AMYDTDRGXFWVBM-YVMONPNESA-N 1 1 443.573 3.455 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164715556 720126321 /nfs/dbraw/zinc/12/63/21/720126321.db2.gz HXDXTRFJXKHUIS-GOSISDBHSA-N 1 1 436.516 3.374 20 5 IGBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843184 720666259 /nfs/dbraw/zinc/66/62/59/720666259.db2.gz UOUIATBVGXEPDW-LJQANCHMSA-N 1 1 440.500 3.036 20 5 IGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164745643 720825666 /nfs/dbraw/zinc/82/56/66/720825666.db2.gz XOOQPPPFRXMULA-SLFFLAALSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745755 720838299 /nfs/dbraw/zinc/83/82/99/720838299.db2.gz NESDWGBJVKGLSX-QKNQBKEWSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749158 720878390 /nfs/dbraw/zinc/87/83/90/720878390.db2.gz HJDNVARWCRGQDY-XXBNENTESA-N 1 1 441.507 3.279 20 5 IGBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749156 720878500 /nfs/dbraw/zinc/87/85/00/720878500.db2.gz HJDNVARWCRGQDY-WMZHIEFXSA-N 1 1 441.507 3.279 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164764850 721154107 /nfs/dbraw/zinc/15/41/07/721154107.db2.gz IEAGSJNWQKLNMS-JKSUJKDBSA-N 1 1 426.908 3.488 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164760146 721239894 /nfs/dbraw/zinc/23/98/94/721239894.db2.gz CPXABQLIAWACDN-DLBZAZTESA-N 1 1 426.908 3.488 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164777373 721339508 /nfs/dbraw/zinc/33/95/08/721339508.db2.gz GMUDYHNGHUAYAH-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164777373 721339511 /nfs/dbraw/zinc/33/95/11/721339511.db2.gz GMUDYHNGHUAYAH-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894447 721397482 /nfs/dbraw/zinc/39/74/82/721397482.db2.gz YDTJTFWGPSACGV-AUUYWEPGSA-N 1 1 444.363 3.062 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900497 721516201 /nfs/dbraw/zinc/51/62/01/721516201.db2.gz RLLQAWOBNGTZAX-GXTWGEPZSA-N 1 1 439.900 3.241 20 5 IGBDMO CC(C)Oc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164959986 722060281 /nfs/dbraw/zinc/06/02/81/722060281.db2.gz BOMIBUDPFWGPRS-UHFFFAOYSA-N 1 1 441.532 3.291 20 5 IGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971932 722113293 /nfs/dbraw/zinc/11/32/93/722113293.db2.gz DTWOLPLZZAUVEN-HOCLYGCPSA-N 1 1 438.315 3.419 20 5 IGBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995585 722212598 /nfs/dbraw/zinc/21/25/98/722212598.db2.gz JUJTWRZKRQHVTM-OAQYLSRUSA-N 1 1 428.468 3.036 20 5 IGBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995585 722212599 /nfs/dbraw/zinc/21/25/99/722212599.db2.gz JUJTWRZKRQHVTM-OAQYLSRUSA-N 1 1 428.468 3.036 20 5 IGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164652162 719315536 /nfs/dbraw/zinc/31/55/36/719315536.db2.gz OSPKYQGVDBEVJP-UHFFFAOYSA-N 1 1 447.849 3.459 20 5 IGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738377 720822661 /nfs/dbraw/zinc/82/26/61/720822661.db2.gz FCNZAJHWTLIRJA-SYYKKAFVSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748163 720859133 /nfs/dbraw/zinc/85/91/33/720859133.db2.gz KUPQTKSBBYBETL-RCZSKKKRSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164749123 720870853 /nfs/dbraw/zinc/87/08/53/720870853.db2.gz GXVLEXDAOWIVQF-ZJSXRUAMSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869433 721068864 /nfs/dbraw/zinc/06/88/64/721068864.db2.gz STAAZFUJFQDCAG-DLBZAZTESA-N 1 1 440.891 3.066 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164764846 721152731 /nfs/dbraw/zinc/15/27/31/721152731.db2.gz IEAGSJNWQKLNMS-HZPDHXFCSA-N 1 1 426.908 3.488 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164778383 721334625 /nfs/dbraw/zinc/33/46/25/721334625.db2.gz UZCAQRQDQVBUMC-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164778383 721334630 /nfs/dbraw/zinc/33/46/30/721334630.db2.gz UZCAQRQDQVBUMC-HXUWFJFHSA-N 1 1 435.912 3.367 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164803343 721583091 /nfs/dbraw/zinc/58/30/91/721583091.db2.gz HOLVCIXHQPUKMC-SLYNCCJLSA-N 1 1 427.505 3.040 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164803343 721583093 /nfs/dbraw/zinc/58/30/93/721583093.db2.gz HOLVCIXHQPUKMC-SLYNCCJLSA-N 1 1 427.505 3.040 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164903559 721695506 /nfs/dbraw/zinc/69/55/06/721695506.db2.gz ACMNCFFUBILCMD-GOSISDBHSA-N 1 1 434.403 3.031 20 5 IGBDMO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962520 722054492 /nfs/dbraw/zinc/05/44/92/722054492.db2.gz FCERJEIGKUBDQJ-UHFFFAOYSA-N 1 1 431.924 3.466 20 5 IGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164620240 719057295 /nfs/dbraw/zinc/05/72/95/719057295.db2.gz FROBMPRAQILXPT-JKSUJKDBSA-N 1 1 445.907 3.316 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164813098 720074394 /nfs/dbraw/zinc/07/43/94/720074394.db2.gz SMDLUMNNCIVUOQ-MAUKXSAKSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164806377 720094010 /nfs/dbraw/zinc/09/40/10/720094010.db2.gz BTFZPABSRLCNTO-BTYIYWSLSA-N 1 1 431.924 3.376 20 5 IGBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CCC2 ZINC001164813944 720220439 /nfs/dbraw/zinc/22/04/39/720220439.db2.gz PQYZXXAPQUARSC-UHFFFAOYSA-N 1 1 441.319 3.104 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164841200 720699368 /nfs/dbraw/zinc/69/93/68/720699368.db2.gz IFRLIMMHTMRKHN-GOSISDBHSA-N 1 1 432.908 3.142 20 5 IGBDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164749122 720871085 /nfs/dbraw/zinc/87/10/85/720871085.db2.gz GXVLEXDAOWIVQF-XUZZJYLKSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164866556 721049210 /nfs/dbraw/zinc/04/92/10/721049210.db2.gz FITBHFNTJMUUPT-HZPDHXFCSA-N 1 1 439.850 3.063 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164783658 721458560 /nfs/dbraw/zinc/45/85/60/721458560.db2.gz FFSIYUWVILFHOO-IBGZPJMESA-N 1 1 448.564 3.041 20 5 IGBDMO CCOc1nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1[N+](=O)[O-] ZINC001164790260 721463630 /nfs/dbraw/zinc/46/36/30/721463630.db2.gz ZWWNIPWOVMJMSW-LJQANCHMSA-N 1 1 448.564 3.122 20 5 IGBDMO COC(=O)c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792948 721496680 /nfs/dbraw/zinc/49/66/80/721496680.db2.gz VXLFSYHXVSNPFI-UHFFFAOYSA-N 1 1 425.489 3.052 20 5 IGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@@H]12 ZINC001164805120 721583909 /nfs/dbraw/zinc/58/39/09/721583909.db2.gz KRJVODFABOQWJD-WMTXJRDZSA-N 1 1 446.511 3.315 20 5 IGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@@H]12 ZINC001164805120 721583912 /nfs/dbraw/zinc/58/39/12/721583912.db2.gz KRJVODFABOQWJD-WMTXJRDZSA-N 1 1 446.511 3.315 20 5 IGBDMO COc1cc(C)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904095 721701751 /nfs/dbraw/zinc/70/17/51/721701751.db2.gz CYPNALVUDYARKV-FQEVSTJZSA-N 1 1 433.459 3.440 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164810222 720201927 /nfs/dbraw/zinc/20/19/27/720201927.db2.gz AOPGDHQXTUOGTG-QVKFZJNVSA-N 1 1 431.924 3.376 20 5 IGBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001164839816 720597459 /nfs/dbraw/zinc/59/74/59/720597459.db2.gz OQQGSTXZSYKAHH-YKKOSAOHSA-N 1 1 439.564 3.096 20 5 IGBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843183 720665727 /nfs/dbraw/zinc/66/57/27/720665727.db2.gz UOUIATBVGXEPDW-IBGZPJMESA-N 1 1 440.500 3.036 20 5 IGBDMO COC(=O)c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164839874 720695493 /nfs/dbraw/zinc/69/54/93/720695493.db2.gz CKORDHNGADBZAT-GOSISDBHSA-N 1 1 440.500 3.036 20 5 IGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836896 720729640 /nfs/dbraw/zinc/72/96/40/720729640.db2.gz HWTPOPZQZHLJQR-SFHVURJKSA-N 1 1 440.500 3.036 20 5 IGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738376 720822940 /nfs/dbraw/zinc/82/29/40/720822940.db2.gz FCNZAJHWTLIRJA-RCZSKKKRSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751510 720871308 /nfs/dbraw/zinc/87/13/08/720871308.db2.gz KOFMFYMGUNCIKL-XUZZJYLKSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749154 720878684 /nfs/dbraw/zinc/87/86/84/720878684.db2.gz HJDNVARWCRGQDY-CVDCTZTESA-N 1 1 441.507 3.279 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164758875 720883631 /nfs/dbraw/zinc/88/36/31/720883631.db2.gz ZYWQCWIQZFLUHP-CVDCTZTESA-N 1 1 441.507 3.279 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868625 721068410 /nfs/dbraw/zinc/06/84/10/721068410.db2.gz OUQXNGPVNRAOEB-HOTGVXAUSA-N 1 1 440.891 3.066 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868624 721068919 /nfs/dbraw/zinc/06/89/19/721068919.db2.gz OUQXNGPVNRAOEB-CVEARBPZSA-N 1 1 440.891 3.066 20 5 IGBDMO Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164866965 721120740 /nfs/dbraw/zinc/12/07/40/721120740.db2.gz VPNHJIDUSGXSQH-SFTDATJTSA-N 1 1 446.511 3.235 20 5 IGBDMO CCc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771401 721216279 /nfs/dbraw/zinc/21/62/79/721216279.db2.gz PLIRBUHSNPVTLT-UXHICEINSA-N 1 1 447.543 3.306 20 5 IGBDMO CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771399 721216297 /nfs/dbraw/zinc/21/62/97/721216297.db2.gz PLIRBUHSNPVTLT-PMACEKPBSA-N 1 1 447.543 3.306 20 5 IGBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164911469 721538149 /nfs/dbraw/zinc/53/81/49/721538149.db2.gz WTDRGOPJOGLWSZ-TZMCWYRMSA-N 1 1 439.900 3.241 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164803337 721583163 /nfs/dbraw/zinc/58/31/63/721583163.db2.gz HOLVCIXHQPUKMC-CUWPLCDZSA-N 1 1 427.505 3.040 20 5 IGBDMO CC(C)Oc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164803337 721583166 /nfs/dbraw/zinc/58/31/66/721583166.db2.gz HOLVCIXHQPUKMC-CUWPLCDZSA-N 1 1 427.505 3.040 20 5 IGBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165024083 721829169 /nfs/dbraw/zinc/82/91/69/721829169.db2.gz JQOIBYDROSRXJY-PWIZWCRZSA-N 1 1 439.516 3.298 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164713888 720153910 /nfs/dbraw/zinc/15/39/10/720153910.db2.gz UAPRTEXSAONJLK-IBGZPJMESA-N 1 1 448.527 3.441 20 5 IGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839804 720598419 /nfs/dbraw/zinc/59/84/19/720598419.db2.gz OQQGSTXZSYKAHH-IATPYWNVSA-N 1 1 439.564 3.096 20 5 IGBDMO COc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776847 721347365 /nfs/dbraw/zinc/34/73/65/721347365.db2.gz DHQMTSLOAJFIGU-QFIPXVFZSA-N 1 1 445.520 3.031 20 5 IGBDMO COc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-] ZINC001164776847 721347368 /nfs/dbraw/zinc/34/73/68/721347368.db2.gz DHQMTSLOAJFIGU-QFIPXVFZSA-N 1 1 445.520 3.031 20 5 IGBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164785241 721450916 /nfs/dbraw/zinc/45/09/16/721450916.db2.gz HRGWFYMBKNJTNO-SFHVURJKSA-N 1 1 438.956 3.377 20 5 IGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164941056 721926555 /nfs/dbraw/zinc/92/65/55/721926555.db2.gz ZYPLTWPWXLLIGI-UHFFFAOYSA-N 1 1 432.908 3.061 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cnc2c1 ZINC001164959624 722054171 /nfs/dbraw/zinc/05/41/71/722054171.db2.gz NFPPPVKAGCLFFB-UHFFFAOYSA-N 1 1 434.500 3.052 20 5 IGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986438 722107945 /nfs/dbraw/zinc/10/79/45/722107945.db2.gz ZAVHUFCFMCNJQV-WMLDXEAASA-N 1 1 438.315 3.419 20 5 IGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164806379 720093594 /nfs/dbraw/zinc/09/35/94/720093594.db2.gz BTFZPABSRLCNTO-VFNWGFHPSA-N 1 1 431.924 3.376 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164711020 720100731 /nfs/dbraw/zinc/10/07/31/720100731.db2.gz NARRYSVDNZLLGQ-HXUWFJFHSA-N 1 1 448.527 3.441 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164815092 720171381 /nfs/dbraw/zinc/17/13/81/720171381.db2.gz IAQMDGNFZRBKNM-YVEFUNNKSA-N 1 1 449.861 3.242 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164816923 720188753 /nfs/dbraw/zinc/18/87/53/720188753.db2.gz NTIVWFNFJROCQT-FDDCHVKYSA-N 1 1 441.507 3.376 20 5 IGBDMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164750434 720871947 /nfs/dbraw/zinc/87/19/47/720871947.db2.gz JCUXEHAQRSQFJA-QPPBQGQZSA-N 1 1 437.544 3.448 20 5 IGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164866555 721049427 /nfs/dbraw/zinc/04/94/27/721049427.db2.gz FITBHFNTJMUUPT-HOTGVXAUSA-N 1 1 439.850 3.063 20 5 IGBDMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164879016 721159040 /nfs/dbraw/zinc/15/90/40/721159040.db2.gz RGZDWNBINZKBTR-FGZHOGPDSA-N 1 1 446.511 3.235 20 5 IGBDMO CCc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771406 721216245 /nfs/dbraw/zinc/21/62/45/721216245.db2.gz PLIRBUHSNPVTLT-WOJBJXKFSA-N 1 1 447.543 3.306 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164768072 721241832 /nfs/dbraw/zinc/24/18/32/721241832.db2.gz XSGQSLRIFSNRNY-RBUKOAKNSA-N 1 1 436.491 3.488 20 5 IGBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164911467 721537942 /nfs/dbraw/zinc/53/79/42/721537942.db2.gz WTDRGOPJOGLWSZ-OCCSQVGLSA-N 1 1 439.900 3.241 20 5 IGBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165021441 721839035 /nfs/dbraw/zinc/83/90/35/721839035.db2.gz MYEQTCPAPFZSTQ-UHFFFAOYSA-N 1 1 435.912 3.465 20 5 IGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164939757 721923995 /nfs/dbraw/zinc/92/39/95/721923995.db2.gz MRYOBCJKXXJMEL-UHFFFAOYSA-N 1 1 427.461 3.078 20 5 IGBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164985043 722139202 /nfs/dbraw/zinc/13/92/02/722139202.db2.gz YXZSYXONIRTMHA-OFNKIYASSA-N 1 1 446.511 3.174 20 5 IGBDMO CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164620231 719056825 /nfs/dbraw/zinc/05/68/25/719056825.db2.gz FROBMPRAQILXPT-HOTGVXAUSA-N 1 1 445.907 3.316 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164813100 720073925 /nfs/dbraw/zinc/07/39/25/720073925.db2.gz SMDLUMNNCIVUOQ-YJBOKZPZSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164714937 720115585 /nfs/dbraw/zinc/11/55/85/720115585.db2.gz FSIFEZRBMKBPLQ-IBGZPJMESA-N 1 1 441.532 3.209 20 5 IGBDMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164815275 720216449 /nfs/dbraw/zinc/21/64/49/720216449.db2.gz YBXDFVFXNLODCL-UHFFFAOYSA-N 1 1 436.516 3.259 20 5 IGBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CCC2 ZINC001164815622 720245244 /nfs/dbraw/zinc/24/52/44/720245244.db2.gz CVBVKNIWDZDZFE-UHFFFAOYSA-N 1 1 448.527 3.464 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728690 720444640 /nfs/dbraw/zinc/44/46/40/720444640.db2.gz FZGMTTPNNQDGRY-NWDGAFQWSA-N 1 1 428.802 3.305 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728690 720444645 /nfs/dbraw/zinc/44/46/45/720444645.db2.gz FZGMTTPNNQDGRY-NWDGAFQWSA-N 1 1 428.802 3.305 20 5 IGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839811 720597210 /nfs/dbraw/zinc/59/72/10/720597210.db2.gz OQQGSTXZSYKAHH-QUDOHWQLSA-N 1 1 439.564 3.096 20 5 IGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164844541 720677340 /nfs/dbraw/zinc/67/73/40/720677340.db2.gz SVWBBDSTXXSBQR-SFHVURJKSA-N 1 1 427.461 3.158 20 5 IGBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869439 721068845 /nfs/dbraw/zinc/06/88/45/721068845.db2.gz STAAZFUJFQDCAG-IRXDYDNUSA-N 1 1 440.891 3.066 20 5 IGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870506 721190274 /nfs/dbraw/zinc/19/02/74/721190274.db2.gz VIQQAFGMLFCRQX-DLBZAZTESA-N 1 1 440.891 3.066 20 5 IGBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164776858 721353815 /nfs/dbraw/zinc/35/38/15/721353815.db2.gz DOJIFOMWKIPPMB-JOCHJYFZSA-N 1 1 429.521 3.330 20 5 IGBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1 ZINC001164776858 721353819 /nfs/dbraw/zinc/35/38/19/721353819.db2.gz DOJIFOMWKIPPMB-JOCHJYFZSA-N 1 1 429.521 3.330 20 5 IGBDMO CCOC(=O)c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164795988 721503240 /nfs/dbraw/zinc/50/32/40/721503240.db2.gz PECWRAZTMZZXAV-UHFFFAOYSA-N 1 1 439.516 3.443 20 5 IGBDMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164950415 721981608 /nfs/dbraw/zinc/98/16/08/721981608.db2.gz TVRZNOJGJPQUAW-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164950415 721981609 /nfs/dbraw/zinc/98/16/09/721981609.db2.gz TVRZNOJGJPQUAW-UHFFFAOYSA-N 1 1 431.496 3.114 20 5 IGBDMO O=[N+]([O-])c1ccc2ncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2c1 ZINC001164961204 722053521 /nfs/dbraw/zinc/05/35/21/722053521.db2.gz VTZDIPHJVPWVTH-UHFFFAOYSA-N 1 1 434.500 3.052 20 5 IGBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964898 722055083 /nfs/dbraw/zinc/05/50/83/722055083.db2.gz ZGPSJYBEMVLKBN-UHFFFAOYSA-N 1 1 434.500 3.052 20 5 IGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164807965 720098402 /nfs/dbraw/zinc/09/84/02/720098402.db2.gz GSIIBVVSCCBWRI-KBXCAEBGSA-N 1 1 430.883 3.373 20 5 IGBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164719441 720114176 /nfs/dbraw/zinc/11/41/76/720114176.db2.gz WWWXZJHCCRDSJJ-HXUWFJFHSA-N 1 1 448.527 3.441 20 5 IGBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839115 720523941 /nfs/dbraw/zinc/52/39/41/720523941.db2.gz SYGLOUKJFNMLTH-HZSPNIEDSA-N 1 1 440.335 3.266 20 5 IGBDMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164745579 720819224 /nfs/dbraw/zinc/81/92/24/720819224.db2.gz WVWUBSCYWMIGKE-JXHRLWIKSA-N 1 1 447.543 3.422 20 5 IGBDMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164745580 720819367 /nfs/dbraw/zinc/81/93/67/720819367.db2.gz WVWUBSCYWMIGKE-KKLQWCBXSA-N 1 1 447.543 3.422 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164740209 720824952 /nfs/dbraw/zinc/82/49/52/720824952.db2.gz JODRYTFKHTWTAI-BBTUJRGHSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164740216 720825169 /nfs/dbraw/zinc/82/51/69/720825169.db2.gz JODRYTFKHTWTAI-WAOWUJCRSA-N 1 1 433.516 3.114 20 5 IGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748164 720858998 /nfs/dbraw/zinc/85/89/98/720858998.db2.gz KUPQTKSBBYBETL-SYYKKAFVSA-N 1 1 433.516 3.114 20 5 IGBDMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164750445 720871623 /nfs/dbraw/zinc/87/16/23/720871623.db2.gz JCUXEHAQRSQFJA-XUZZJYLKSA-N 1 1 437.544 3.448 20 5 IGBDMO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164773371 721173377 /nfs/dbraw/zinc/17/33/77/721173377.db2.gz WVBCCNOHFNPVPW-UXHICEINSA-N 1 1 433.516 3.052 20 5 IGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164768065 721241213 /nfs/dbraw/zinc/24/12/13/721241213.db2.gz XSGQSLRIFSNRNY-MOPGFXCFSA-N 1 1 436.491 3.488 20 5 IGBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781966 721427436 /nfs/dbraw/zinc/42/74/36/721427436.db2.gz DWDNPLVJCFLNFU-RKDXNWHRSA-N 1 1 434.831 3.082 20 5 IGBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900500 721516033 /nfs/dbraw/zinc/51/60/33/721516033.db2.gz RLLQAWOBNGTZAX-TZMCWYRMSA-N 1 1 439.900 3.241 20 5 IGBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@H]12 ZINC001164805114 721583718 /nfs/dbraw/zinc/58/37/18/721583718.db2.gz KRJVODFABOQWJD-AKFKNWHVSA-N 1 1 446.511 3.315 20 5 IGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@H]12 ZINC001164805114 721583721 /nfs/dbraw/zinc/58/37/21/721583721.db2.gz KRJVODFABOQWJD-AKFKNWHVSA-N 1 1 446.511 3.315 20 5 IGBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995583 722213001 /nfs/dbraw/zinc/21/30/01/722213001.db2.gz JUJTWRZKRQHVTM-NRFANRHFSA-N 1 1 428.468 3.036 20 5 IGBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995583 722213004 /nfs/dbraw/zinc/21/30/04/722213004.db2.gz JUJTWRZKRQHVTM-NRFANRHFSA-N 1 1 428.468 3.036 20 5 IGBDMO